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

SMILES,khs.sssPbH,SPC-4,SP-6,ATSc3,khs.ssCH2,khs.ssO,khs.sCl,SPC-5,SP-7,ATSc4,khs.ssPbH2,khs.sssP,SPC-6,ATSc5,khs.sI,khs.sLi,topoShape,khs.dS,khs.sssSiH,khs.aaS,Zagreb,ECCEN,VPC-4,khs.ssGeH2,MDEO-11,khs.ddssS,SCH-3,VPC-5,VCH-3,MDEO-12,khs.ssS,Kier1,SCH-4,khs.sssssP,VPC-6,MDEN-33,Kier2,SCH-5,C4SP3,khs.dsssP,VCH-4,Kier3,SCH-6,VCH-5,khs.sOH,khs.tsC,SCH-7,VP-0,VCH-6,VP-1,VCH-7,TPSA,MDEC-33,VC-3,khs.sNH2,VP-2,khs.ddC,MDEC-34,khs.dSe,VC-4,khs.ssssGe,khs.sNH3,VP-3,khs.aaaC,VC-5,khs.sSnH3,VP-4,khs.sCH3,VC-6,khs.sPH2,VP-5,khs.sssAs,khs.aaSe,khs.ssssPb,khs.dCH2,VP-6,khs.sssGeH,TopoPSA,MDEN-11,VP-7,khs.ssSe,MDEN-12,C3SP2,khs.ssBe,khs.sssdAs,MDEN-13,ATSm1,C3SP3,khs.sAsH2,ATSm2,MDEO-22,khs.ssSnH2,WPATH,MDEC-11,ATSp1,khs.dssC,khs.ssssB,ATSm3,MDEC-12,ATSp2,khs.ssssC,khs.tCH,ATSm4,khs.ssssBe,khs.tN,khs.ssPH,khs.dssSe,MDEC-13,ATSp3,ATSm5,VAdjMat,WPOL,ATSp4,khs.sSH,fragC,MDEC-14,ATSp5,khs.aasC,khs.ssssSi,khs.sSiH3,khs.ssBH,khs.ssAsH,MDEC-44,khs.sssB,khs.sPbH3,C1SP1,khs.ddsN,khs.sssNH,C1SP2,khs.dNH,khs.ddssSe,geomShape,C1SP3,C2SP1,khs.ssssSn,khs.sSeH,MDEN-22,C2SP2,khs.aaNH,MDEN-23,C2SP3,khs.ssSiH2,SP-0,khs.sBr,khs.sssSnH,PetitjeanNumber,SP-1,khs.dsCH,khs.ssNH,khs.ssssN,SC-3,khs.dsN,SP-2,khs.sssCH,SC-4,MDEC-22,khs.sssssAs,SP-3,SC-5,MDEC-23,khs.aaN,khs.sGeH3,SP-4,khs.aaCH,khs.aasN,ATSc1,SC-6,MDEC-24,khs.aaO,khs.dO,ATSc2,khs.sssN,SP-5,khs.dssS,khs.sF,khs.ssNH2
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, 0.0, 2.32489705085754 2.32489705085754, 2.17042803764343, 0.0941291823983192, 0.0, 0.0, 0.0, 3.07844924926758 3.07844924926758, 1.28603947162628, 0.015651723369956, 0.0, 0.0, 3.4332103729248 3.4332103729248, -0.0442486554384232, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 80.0, 251.0, 0.638012588024139 0.638012588024139, 0.0, 0.512992799282074, 0.0, 0.0, 0.831232190132141 0.831232190132141, 0.0, 0.75394743680954, 0.0, 12.4567470550537, 0.0, 0.0, 0.710414528846741 0.710414528846741, 0.0, 5.55765581130981, 0.235702261328697, 0.0, 0.0, 0.0, 3.02972650527954, 0.287457466125488, 0.113077633082867, 1.0, 0.0, 0.474854648113251, 8.54774475097656, 0.107108667492867, 4.95305967330933, 0.114507332444191, , 2.52506470680237, 0.335922211408615, 0.0, 3.49143624305725, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.43306875228882, 0.0, 0.0239986199885607, 0.0, 1.69454097747803, 0.0, 0.0, 0.0, 0.873986423015594, 0.0, 0.0, 0.0, 0.0, 0.527350664138794, 0.0, 132.679992675781, 0.0, 0.27908980846405, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 26.3055934906006, 0.0, 0.0, 23.2737045288086, 0.0, 0.0, 473.0, 0.0, 883.160827636719, 0.0, 0.0, 33.297119140625, 0.0, 1021.52349853516, 0.0, 0.0, 26.7674541473389, 0.0, 0.0, 0.0, 0.0, 0.0, 1378.6884765625, 27.6612510681152, 5.0, 19.0, 1044.98400878906, 0.0, 244.080001831055, 0.0, 950.627868652344, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.338061690330505, 4.0, 0.0, 11.5436058044434, 0.0, 0.0, 0.5, 7.70270872116089, 1.0, 0.0, 0.0, 1.03745746612549, 1.0, 6.80506134033203, 0.0, 0.0, 1.68811810016632, 0.0, 5.40193462371826, 0.25, 6.43187379837036, 1.0, 0.0, 4.29859685897827, 3.0, 0.0, 0.50411731004715, 0.0, 0.0, 1.0, 2.0, -0.326386094093323, 0.0, 2.8039402961731, 0.0, 0.0, 0.0
InChI%3D1S%2FC17H21N3.ClH%2Fc1-19%282%2915-9-5-13%286-10-15%2917%2818%2914-7-11-16%2812-8-14%2920%283%294%3B%2Fh5-12%2C18H%2C1-4H3%3B1H, 0.0, 3.62239933013916 3.62239933013916, 2.66021800041199, 0.0145726408809423, 0.0, 0.0, 0.0, 4.27267599105835 4.27267599105835, 2.01539397239685, 0.00919590424746275, 0.0, 0.0, 4.8503532409668 4.8503532409668, -0.0166862476617098, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 100.0, -949673024.0, 1.4901270866394 1.4901270866394, 0.0, 0.0, 0.0, 0.0, 1.38528668880463 1.38528668880463, 0.0, 0.0, 0.0, 19.0476188659668, 0.0, 0.0, 1.30079197883606 1.30079197883606, 0.100000001490116, 8.58501815795898, 0.0, 0.0, 0.0, 0.0, 5.0, 0.16666667163372, 0.0, 0.0, 0.0, 0.19245009124279, 13.7379741668701, 0.0555555559694767, 6.62880229949951, 0.0526229776442051, , 3.34162521362305, 0.8254514336586, 0.0, 5.25760221481323, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.34475517272949, 0.0, 0.19073785841465, 0.0, 2.01914501190186, 4.0, 0.0, 0.0, 1.24741947650909, 0.0, 0.0, 0.0, 0.0, 0.748991012573242, 0.0, 30.3299999237061, 0.0, 0.458151817321777, 0.0, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 29.7927169799805, 2.0, 0.0, 22.1632976531982, 0.0, 0.0, 20000000000.0, 0.908560276031494, 1356.64416503906, 1.0, 0.0, 29.9971122741699, 5.90230369567871, 1531.79089355469, 0.0, 0.0, 31.3294811248779, 0.0, 0.0, 0.0, 0.0, 3.77033662796021, 2054.35205078125, 24.9971122741699, 5.39231729507446, 30.0, 2036.25830078125, 0.0, 1429.0400390625, 0.0, 1593.89318847656, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 10.0, 0.0, 14.6983060836792, 0.0, 0.0, 0.999000012874603, 9.48607063293457, 0.0, 0.0, 0.0, 1.52578341960907, 0.0, 8.69686985015869, 0.0, 0.0, 8.69190216064453, 0.0, 7.00575113296509, 0.52578341960907, 15.6241292953491, 0.0, 0.0, 5.05976009368896, 8.0, 0.0, 0.218730136752129, 0.0, 0.0, 0.0, 0.0, -0.12785704433918, 2.0, 3.68780708312988, 0.0, 0.0, 0.0
InChI%3D1S%2FC2H5ClO%2Fc1-4-2-3%2Fh2H2%2C1H3, 0.0, 0.0 0.0, 0.0, 0.0894276946783066, 1.0, 1.0, 1.0, 0.0 0.0, 0.0, -0.0217280369251966, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 10.0, 14.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.24924850463867, 0.0, 1.49870717525482, 0.0, , 0.0, 0.0, 0.0, 0.616001963615417, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.327326834201813, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.22999954223633, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.4872226715088, 0.0, 0.0, 5.61592149734497, 0.0, 0.0, 10.0, 0.0, 94.6600875854492, 0.0, 0.0, 4.93198585510254, 0.5, 74.3696670532227, 0.0, 0.0, 2.95173740386963, 0.0, 0.0, 0.0, 0.0, 0.0, 46.1764297485352, 0.0, 3.0, 1.0, 19.0570583343506, 0.0, 52.0200004577637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.41421365737915, 0.0, 0.0, 0.333333343267441, 1.91421353816986, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.231503203511238, 0.0, 0.0, 0.0, 0.0, -0.183451265096664, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC18H25NO7%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2925-9-13-4-6-19%2824%297-5-14%2815%2813%2919%2926-16%2812%2921%2Fh3-4%2C11%2C14-15%2C20%2C23H%2C5-10H2%2C1-2H3%2Ft11-%2C14%3F%2C15-%2C18-%2C19%3F%2Fm1%2Fs1, 0.0, 7.20385980606079 7.20385980606079, 4.1104941368103, -0.050428744405508, 6.0, 2.0, 0.0, 11.11021900177 11.11021900177, 3.1780207157135, -0.00929171871393919, 0.0, 0.0, 12.7608585357666 12.7608585357666, 0.0454824157059193, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 142.0, 417.0, 3.07863640785217 3.07863640785217, 0.0, 1.77613854408264, 0.0, 0.0, 4.12084150314331 4.12084150314331, 0.0, 2.34654211997986, 0.0, 20.7270412445068, 0.0, 0.0, 4.18836498260498 4.18836498260498, 0.0, 7.78799343109131, 0.16666667163372, 0.0, 0.0, 0.0, 3.6800000667572, 0.498593986034393, 0.127240225672722, 2.0, 0.0, 0.846446871757507, 15.0122747421265, 0.277311682701111, 8.88207626342773, 0.393492609262466, , 7.17539262771606, 1.38454484939575, 0.0, 7.39244318008423, 0.0, 2.47687101364136, 0.0, 0.0983481705188751, 0.0, 0.0, 5.86852264404297, 0.0, 0.372563749551773, 0.0, 4.0781135559082, 2.0, 0.0550966337323189, 0.0, 2.52015900611877, 0.0, 0.0, 0.0, 0.0, 1.52538549900055, 0.0, 110.129997253418, 0.0, 0.991134285926819, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 31.781270980835, 2.0, 0.0, 31.7087574005127, 0.200000002980232, 0.0, 1430.0, 0.200000002980232, 1815.18688964844, 4.0, 0.0, 49.8629684448242, 3.2093026638031, 2179.55126953125, 1.0, 0.0, 60.3490829467773, 0.0, 0.0, 0.0, 0.0, 3.49456715583801, 3222.60229492188, 57.0169906616211, 5.70043992996216, 50.0, 3377.220703125, 0.0, 2159.080078125, 0.63245552778244, 3171.91845703125, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 4.0, 0.0, 19.1125202178955, 0.0, 0.0, 0.333333343267441, 12.247184753418, 2.0, 0.0, 0.0, 2.73552751541138, 0.0, 11.6331567764282, 3.0, 0.262188702821732, 6.79064464569092, 0.0, 10.6367406845093, 1.089315533638, 17.0301761627197, 0.0, 0.0, 8.13015460968018, 0.0, 0.0, 0.901853799819946, 0.214779183268547, 2.16097092628479, 0.0, 3.0, -0.393336892127991, 0.0, 5.64428043365479, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H12N2O3%2Fc1-2-3-8%287-11%294-6%2810%295-9%2Fh2%2C6%2C9-10H%2C1%2C3-5H2, , 0.921654641628265 0.921654641628265, 0.402368932962418, -0.0765813440084457, 3.0, 0.0, 0.0, 1.09341299533844 1.09341299533844, 0.0833333358168602, 0.0156038934364915, , 0.0, 1.17466759681702 1.17466759681702, 0.00143692304845899, , 0.0, 0.75, 0.0, 0.0, 0.0, 42.0, 105.0, 0.271764934062958 0.271764934062958, 0.0, 0.669432938098907, 0.0, 0.0, 0.280407935380936 0.280407935380936, 0.0, 0.0, 0.0, 11.0, 0.0, 0.0, 0.20635224878788 0.20635224878788, 0.0, 6.69421482086182, 0.0, 0.0, 0.0, 0.0, 5.28925609588623, 0.0, 0.0, 2.0, 0.0, 0.0, 6.18023014068604, 0.0, 3.22244954109192, 0.0, , 0.0, 0.229099437594414, 0.0, 2.07832026481628, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.08756589889526, 0.0, 0.0, , 0.591231405735016, 0.0, 0.0, 0.0, 0.267434865236282, , , , 1.0, 0.0949491783976555, 0.0, 73.129997253418, 0.0, 0.0166666675359011, , 0.0, 0.0, 0.0, , 0.0, 14.0433835983276, 0.0, 0.0, 11.910008430481, 0.0, , 176.0, 0.0, 406.188507080078, 0.0, 0.0, 13.2144832611084, 1.51967132091522, 411.59375, 0.0, 0.0, 13.9889516830444, 0.0, 0.0, 0.0, , 0.200000002980232, 443.177154541016, 12.4355783462524, 4.45943164825439, 11.0, 398.604095458984, 0.0, 374.049987792969, 0.0, 326.5283203125, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 1.0, 0.0, , , 3.0, 0.0, , , 0.0, 1.0, 0.0, 1.0, 1.0, 0.0, 8.69023418426514, , , 0.428571432828903, 5.23991203308105, 1.0, 0.0, 0.0, 0.492799282073975, 1.0, 3.8120710849762, 1.0, 0.0, 2.40685200691223, , 2.70689940452576, 0.0, 2.14913988113403, 0.0, 0.0, 1.63259243965149, 0.0, 0.0, 0.254033863544464, 0.0, 0.0, 0.0, 1.0, -0.064105212688446, 1.0, 1.04337978363037, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh3H%2C1-2H3, 0.0, 0.40824830532074 0.40824830532074, 0.0, 0.00947097409516573, 0.0, 0.0, 1.0, 0.0 0.0, 0.0, -0.00710728205740452, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 16.0, 19.0, 0.327326834201813 0.327326834201813, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.25, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.21124362945557, 0.0, 1.94332885742188, 0.0, , 0.0, 0.288675129413605, 0.0, 1.40467715263367, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.654653668403625, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 12.7127532958984, 0.0, 0.0, 5.95173740386963, 0.0, 0.0, 18.0, 0.5, 202.214141845703, 1.0, 0.0, 5.95173740386963, 1.0, 177.264175415039, 0.0, 0.0, 5.90347480773926, 0.0, 0.0, 0.0, 0.0, 2.0, 156.362060546875, 0.0, 3.32192802429199, 2.0, 62.833869934082, 0.0, 101.01000213623, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.28445720672607, 0.0, 0.0, 0.333333343267441, 2.27005553245544, 1.0, 0.0, 0.0, 0.40824830532074, 0.0, 1.80209517478943, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0280767232179642, 0.0, 0.0, 0.0, 0.0, -0.0164020527154207, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FCH2O3.K%2Fc2-1%283%294%3B%2Fh%28H2%2C2%2C3%2C4%29%3B%2Fq%3B%2B1%2Fp-1, 0.0, 0.0 0.0, 0.0, 0.0885297060012817, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 12.0, 1705032704.0, 0.0 0.0, 0.0, 1.5, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 8.88888931274414, 0.0, 0.0, 0.0 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 1.0, 0.0, 0.0, 1.35546183586121, 0.0, 0.427730947732925, 0.0, , 0.0, 0.0, 0.0, 0.0912870913743973, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 60.3600006103516, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 16.9202518463135, 0.0, 0.0, 3.99627590179443, 0.0, 0.0, 4000000000.0, 0.0, 34.3731384277344, 1.0, 0.0, 5.32340717315674, 0.0, 27.9254589080811, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 22.9357509613037, 0.0, 3.32192802429199, 0.0, 0.0, 0.0, 4.03999996185303, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.5773503780365, 0.0, 0.0, 0.999000012874603, 1.73205077648163, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 1.73205077648163, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.374831408262253, 0.0, 0.0, 0.0, 1.0, -0.275945425033569, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H10N2O%2Fc15-13-14%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H, 0.0, 1.42053985595703 1.42053985595703, 1.574538230896, 0.0211962684988976, 0.0, 0.0, 0.0, 2.54259777069092 2.54259777069092, 1.08278274536133, -0.0140678444877267, 0.0, 0.0, 3.22885179519653 3.22885179519653, -0.00748595502227545, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 72.0, 194.0, 0.449217319488525 0.449217319488525, 0.0, 0.0, 0.0, 0.0, 0.605874180793762 0.605874180793762, 0.0, 0.0, 0.0, 11.484375, 0.0, 0.0, 0.635085582733154 0.635085582733154, 0.0, 5.91499996185303, 0.0, 0.0, 0.0, 0.0, 2.98224854469299, 0.20412415266037, 0.0, 0.0, 0.0, 0.117851130664349, 8.07617855072021, 0.0641500279307365, 4.6511549949646, 0.0286887660622597, , 0.5, 0.199071198701859, 0.0, 3.06455135345459, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.08317589759827, 0.0, 0.0333333350718021, 0.0, 1.38174486160278, 0.0, 0.0, 0.0, 0.873893022537231, 0.0, 0.0, 0.0, 0.0, 0.332010537385941, 0.0, 32.6699981689453, 0.0, 0.187248215079308, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 16.4944458007812, 0.0, 0.0, 17.2458248138428, 0.0, 0.0, 364.0, 0.0, 844.418395996094, 0.0, 0.0, 21.5505771636963, 0.0, 954.659423828125, 0.0, 0.0, 21.9936656951904, 0.0, 0.0, 0.0, 0.0, 0.0, 1222.12902832031, 20.3254795074463, 4.90689039230347, 20.0, 1162.16528320312, 0.0, 466.029998779297, 0.0, 921.910705566406, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 12.0, 0.0, 10.5102252960205, 0.0, 0.0, 0.5, 7.41501474380493, 0.0, 0.0, 0.0, 0.469416111707687, 1.0, 5.86828327178955, 0.0, 0.0, 13.9952611923218, 0.0, 4.98206186294556, 0.136082768440247, 8.07939052581787, 0.0, 0.0, 4.17620515823364, 10.0, 0.0, 0.0536609962582588, 0.0, 0.0, 0.0, 1.0, -0.025923378765583, 1.0, 3.17931270599365, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H6N4O5%2Fc13-6-4-11%288%2814%2910-6%299-3-5-1-2-7%2817-5%2912%2815%2916%2Fh1-3H%2C4H2%2C%28H%2C10%2C13%2C14%29%2Fb9-3%2B, 0.0, 2.72668361663818 2.72668361663818, 1.75651609897614, -0.0476022139191628, 1.0, 0.0, 0.0, 3.53570580482483 3.53570580482483, 1.01843369007111, 0.119356773793697, 0.0, 0.0, 3.72042369842529 3.72042369842529, 0.0525446124374866, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 86.0, 280.0, 0.511464953422546 0.511464953422546, 0.0, 0.946721136569977, 0.0, 0.0, 0.549318671226501 0.549318671226501, 0.0, 0.907166600227356, 0.0, 13.4320983886719, 0.0, 0.0, 0.385653704404831 0.385653704404831, 0.16666667163372, 5.76000022888184, 0.214076176285744, 0.0, 0.0, 0.0, 3.48444437980652, 0.411866188049316, 0.069376029074192, 1.0, 0.0, 0.523541152477264, 8.30821895599365, 0.0809129029512405, 4.42289352416992, 0.0591005310416222, , 1.55034387111664, 0.340259999036789, 0.0, 3.04593586921692, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.85359787940979, 0.0, 0.0216940492391586, 0.0, 1.13159239292145, 0.0, 0.0, 0.0, 0.524005591869354, 0.0, 0.0, 0.0, 0.0, 0.238036543130875, 0.0, 124.220001220703, 0.0, 0.114852920174599, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 22.3122978210449, 0.0, 0.0, 21.7924003601074, 0.0, 0.0, 580.0, 0.0, 708.919311523438, 2.0, 0.0, 31.5041694641113, 0.0, 812.459045410156, 0.0, 0.0, 26.0607109069824, 0.0, 0.0, 0.0, 0.0, 0.0, 1088.00964355469, 20.3727874755859, 5.08746290206909, 20.0, 810.793273925781, 0.0, 304.089996337891, 0.0, 655.753112792969, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 2.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 1.33748066425323, 3.0, 0.0, 12.4138488769531, 0.0, 0.0, 0.5, 8.05855083465576, 1.0, 0.0, 0.0, 1.39516818523407, 2.0, 7.57446479797363, 0.0, 0.0, 2.10257887840271, 0.0, 5.75431346893311, 0.284517794847488, 5.89347696304321, 0.0, 0.0, 4.50595331192017, 2.0, 0.0, 0.63248199224472, 0.0, 0.0, 1.0, 3.0, -0.331926554441452, 1.0, 2.8917977809906, 0.0, 0.0, 0.0
InChI%3D1S%2FC16H11NO2%2Fc18-17%2819%2914-9-7-12-5-4-10-2-1-3-11-6-8-13%2814%2916%2812%2915%2810%2911%2Fh1-9%2C15-16H, 0.0, 3.5546669960022 3.5546669960022, 4.93668413162231, -0.0227158647030592, 0.0, 0.0, 0.0, 6.40637397766113 6.40637397766113, 3.95706343650818, -0.0147821716964245, 0.0, 0.0, 10.1799898147583 10.1799898147583, -0.0017043260158971, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 110.0, 264.0, 1.33495843410492 1.33495843410492, 0.0, 0.5, 0.0, 0.0, 2.0941755771637 2.0941755771637, 0.0, 0.0, 0.0, 12.7190084457397, 0.0, 0.0, 2.83492112159729 2.83492112159729, 0.0, 4.77685928344727, 0.0, 0.0, 0.0, 0.0, 1.91920030117035, 0.234708055853844, 0.0, 0.0, 0.0, 0.556452393531799, 9.95986270904541, 0.0865562632679939, 6.06482315063477, 0.171763509511948, , 10.6712808609009, 0.548986315727234, 0.0, 4.69783401489258, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.70234870910645, 6.0, 0.125559389591217, 0.0, 2.8791196346283, 0.0, 0.0, 0.0, 2.20071029663086, 0.0, 0.0, 0.0, 0.0, 1.37704575061798, 0.0, 45.8199996948242, 0.0, 0.903378665447235, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.9089260101318, 6.0, 0.0, 23.2731170654297, 0.0, 0.0, 596.0, 0.0, 1428.90856933594, 0.0, 0.0, 34.7710227966309, 0.0, 1781.34252929688, 0.0, 0.0, 38.8269233703613, 0.0, 0.0, 0.0, 0.0, 0.0, 2711.5166015625, 35.4911079406738, 5.24792766571045, 37.0, 2907.99926757812, 0.0, 619.030029296875, 0.0, 2313.82104492188, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 12.9827632904053, 0.0, 0.0, 0.5, 9.25401973724365, 0.0, 0.0, 0.0, 1.327721118927, 0.0, 8.66962051391602, 0.0, 0.0, 11.3588514328003, 0.0, 7.77773332595825, 0.440702944993973, 23.7199459075928, 0.0, 0.0, 7.16763401031494, 9.0, 0.0, 0.0651353448629379, 0.0, 0.0, 0.0, 2.0, 0.00671140290796757, 0.0, 6.44055080413818, 0.0, 0.0, 0.0
InChI%3D1S%2FC16H14N4O3S%2Fc21-20%2822%2914-6-5-13%2824-14%2915-17-12-4-2-1-3-11%2812%2916%2818-15%2919-7-9-23-10-8-19%2Fh1-6H%2C7-10H2, 0.0, 3.68395328521729 3.68395328521729, 4.60254621505737, -0.0642090067267418, 4.0, 1.0, 0.0, 5.64471054077148 5.64471054077148, 3.43117141723633, 0.160796925425529, 0.0, 0.0, 8.19163990020752 8.19163990020752, -0.150938346982002, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 1.0, 130.0, 454.0, 1.58810973167419 1.58810973167419, 0.0, 0.5, 0.0, 0.0, 2.07134246826172 2.07134246826172, 0.0, 0.181818187236786, 0.0, 17.4156379699707, 0.0, 0.0, 2.33332943916321 2.33332943916321, 0.142857149243355, 7.70914125442505, 0.117851130664349, 0.0, 0.0, 0.0, 3.75887584686279, 0.377033710479736, 0.102062076330185, 0.0, 0.0, 0.580272614955902, 13.530873298645, 0.182595908641815, 8.37937355041504, 0.181140303611755, , 6.07259321212769, 0.720680296421051, 0.0, 6.44461059570312, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.9187331199646, 2.0, 0.11977531015873, 0.0, 3.48682379722595, 0.0, 0.0, 0.0, 2.30371904373169, 0.0, 0.0, 0.0, 0.0, 1.33746612071991, 0.0, 112.309997558594, 0.0, 0.842058122158051, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 33.89111328125, 1.0, 0.0, 33.4401702880859, 0.0, 0.0, 1290.0, 0.0, 1802.4521484375, 0.0, 0.0, 49.4412994384766, 0.0, 2171.34350585938, 0.0, 0.0, 50.8839721679688, 0.0, 0.0, 0.0, 0.0, 0.0, 3101.12280273438, 43.5204277038574, 5.58496236801147, 38.0, 3071.43969726562, 0.0, 1129.07995605469, 0.0, 2867.53491210938, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 7.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 1.06365919113159, 8.0, 0.0, 16.5182971954346, 0.0, 0.0, 0.454545468091965, 11.7203464508057, 0.0, 0.0, 0.0, 1.43883216381073, 0.0, 10.5790491104126, 0.0, 0.0, 10.957688331604, 0.0, 9.07678031921387, 0.441638320684433, 16.6691360473633, 2.0, 0.0, 7.6777491569519, 6.0, 0.0, 0.491564184427261, 0.0, 0.0, 0.0, 2.0, -0.267040103673935, 1.0, 6.41850185394287, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H9N3O3%2Fc5-4%289%297%286-10%292-1-3-8%2Fh8H%2C1-3H2%2C%28H2%2C5%2C9%29, , 1.08925569057465 1.08925569057465, 0.380039840936661, 0.0976844355463982, 3.0, 0.0, 0.0, 1.17258894443512 1.17258894443512, 0.0, -0.111065544188023, , 0.0, 0.735702276229858 0.735702276229858, 0.0899481326341629, , 0.0, 1.0, 0.0, 0.0, 0.0, 38.0, 85.0, 0.203561648726463 0.203561648726463, 0.0, 0.57235711812973, 0.0, 0.0, 0.164600849151611 0.164600849151611, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.0990471839904785 0.0990471839904785, 0.0, 5.76000022888184, 0.0, 0.0, 0.0, 0.0, 4.48000001907349, 0.0, 0.0, 2.0, 0.0, 0.0, 5.31842279434204, 0.0, 2.71224331855774, 0.0, , 0.0, 0.120710678398609, 0.0, 1.60555863380432, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.871079981327057, 0.0, 0.0158113874495029, , 0.405874669551849, 0.0, 0.0, 0.0, 0.170729443430901, 0.0, , , 0.0, 0.046399001032114, 0.0, 96.9800033569336, 0.0, 0.0, , 0.333333343267441, 0.0, 0.0, , 0.5, 13.4033708572388, 0.0, 0.0, 11.0761938095093, 0.0, , 134.0, 0.0, 320.495330810547, 1.0, 0.0, 12.8510341644287, 0.0, 324.013061523438, 0.0, 0.0, 12.7403774261475, 0.0, 0.0, 0.0, , 0.0, 347.727752685547, 10.8779554367065, 4.32192802429199, 10.0, 306.787048339844, 0.0, 234.059997558594, 0.0, 209.1337890625, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, , , 2.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 7.98312759399414, , , 0.5, 4.71874380111694, 0.0, 0.0, 0.0, 0.5, 1.0, 3.55457329750061, 0.0, 0.0, 2.38110160827637, , 2.39565467834473, 0.16666667163372, 1.04004192352295, 0.0, 0.0, 1.47517478466034, 0.0, 0.0, 0.243824675679207, 0.0, 0.0, 0.0, 1.0, -0.13923205435276, 1.0, 0.642228543758392, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H6N6O3%2Fc8-6-10-5%2811-7%289%2912-6%293-1-2-4%2816-3%2913%2814%2915%2Fh1-2H%2C%28H4%2C8%2C9%2C10%2C11%2C12%29, 0.0, 2.56341147422791 2.56341147422791, 2.23499155044556, 0.0971638187766075, 0.0, 0.0, 0.0, 3.68636012077332 3.68636012077332, 1.18882620334625, 0.115901544690132, 0.0, 0.0, 4.55300283432007 4.55300283432007, -0.267196416854858, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 82.0, 212.0, 0.555858373641968 0.555858373641968, 0.0, 0.5, 0.0, 0.0, 0.679596126079559 0.679596126079559, 0.0, 0.666666686534882, 0.0, 12.4567470550537, 0.0, 0.0, 0.654629647731781 0.654629647731781, 0.0, 5.10416650772095, 0.117851130664349, 0.0, 0.0, 0.0, 3.02972650527954, 0.20412415266037, 0.0340206921100616, 0.0, 0.0, 0.446958005428314, 7.9040093421936, 0.0528985671699047, 4.27371263504028, 0.0679118558764458, , 3.95055055618286, 0.355182588100433, 0.0, 3.02979969978333, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.90440988540649, 0.0, 0.0257944501936436, 0.0, 1.25967276096344, 0.0, 0.0, 0.0, 0.709517598152161, 0.0, 0.0, 0.0, 0.0, 0.373302936553955, 0.0, , 0.25, 0.167927950620651, 0.0, 2.38110160827637, 0.0, 0.0, 0.0, 0.28571429848671, 20.4833354949951, 0.0, 0.0, 20.2667827606201, 0.0, 0.0, 443.0, 0.0, 792.083618164062, 2.0, 0.0, 30.0068664550781, 0.0, 919.382995605469, 0.0, 0.0, 26.1480922698975, 0.0, 0.0, 0.0, 0.0, 0.0, 1258.06823730469, 23.4019985198975, 5.0, 21.0, 1075.89733886719, 0.0, 385.089996337891, 0.0, 895.183959960938, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 2.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 1.5, 0.0, 0.0, 0.536342144012451, 3.0, 0.0, 11.7067422866821, 0.0, 0.0, 0.5, 7.55855083465576, 0.0, 3.0, 0.0, 1.41068363189697, 0.0, 7.25475883483887, 1.0, 0.0, 1.0, 0.0, 5.33819723129272, 0.25, 3.99735641479492, 0.0, 0.0, 4.48048782348633, 2.0, 0.0, 0.464304894208908, 0.0, 0.0, 1.0, 2.0, -0.300445646047592, 0.0, 3.06155180931091, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H6N2O3%2Fc7-4-1-2-6%289%295%283-4%298%2810%2911%2Fh1-3%2C9H%2C7H2, , 1.85140001773834 1.85140001773834, 0.653482377529144, -0.0449167415499687, 0.0, , , 2.5294976234436 2.5294976234436, 0.307529658079147, -0.0886714607477188, , , 3.35758996009827 3.35758996009827, -0.0249165501445532, , 0.0, 0.666666686534882, , , , 52.0, 89.0, 0.398336470127106 0.398336470127106, , 0.944940805435181, , 0.0, 0.402203172445297 0.402203172445297, 0.0, 0.0, , 9.09090900421143, 0.0, , 0.395843178033829 0.395843178033829, 0.0, 3.59999990463257, 0.0, 0.0, , 0.0, 2.21453285217285, 0.0680413842201233, 0.0, , 0.0, 0.175366476178169, 5.52032470703125, 0.0240562614053488, 2.83907103538513, 0.0354054644703865, , 1.65096366405487, 0.262592285871506, 1.0, 2.00526142120361, 0.0, 0.0, , 0.0, , 0.0, 1.19616663455963, 0.0, 0.0274249538779259, , 0.686696887016296, 0.0, 0.0, , 0.404188603162766, , , , 0.0, 0.114351935684681, , 92.0699996948242, 0.0, 0.0311635658144951, , 0.0, 0.0, 0.0, , 0.25, 14.0433835983276, 0.0, , 12.7713947296143, 0.0, , 148.0, 0.0, 444.764465332031, 0.0, 0.0, 17.767578125, 0.0, 495.660827636719, 0.0, 0.0, 17.2107582092285, 0.0, , , , 0.0, 639.095947265625, 13.9017562866211, 4.45943164825439, 14.0, 539.649047851562, , 179.050003051758, 0.0, 293.870300292969, 3.0, , , 0.0, , 0.0, 0.0, , 0.0, , , 0.0, , , , 0.0, 0.0, , , 0.0, 0.0, , 0.0, 6.0, , 8.43072128295898, , , 0.400000005960464, 5.10906076431274, 0.0, , , 0.993793487548828, , 4.80337953567505, 0.0, 0.0, 1.65096366405487, , 3.37654876708984, 0.232307806611061, 5.85380077362061, , , 2.50549149513245, 3.0, , 0.187772318720818, 0.0, 0.0, , , 0.00578310946002603, , 1.89818668365479, , , 0.0
InChI%3D1S%2FC18H23NO6%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2924-9-13-4-6-19-7-5-14%2815%2813%2919%2925-16%2812%2921%2Fh3-4%2C14-15%2C20%2C23H%2C2%2C5-10H2%2C1H3%2Ft14-%2C15%3F%2C18-%2Fm1%2Fs1, 0.0, 6.14030265808105 6.14030265808105, 3.9629693031311, -0.023308115079999, 6.0, 2.0, 0.0, 9.12922191619873 9.12922191619873, 2.98981118202209, 0.0416607372462749, 0.0, 0.0, 10.1778497695923 10.1778497695923, 0.0394603759050369, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 134.0, 396.0, 2.33882617950439 2.33882617950439, 0.0, 1.28049027919769, 0.0, 0.0, 3.05313563346863 3.05313563346863, 0.0, 1.90000247955322, 0.0, 19.7530860900879, 0.0, 0.0, 3.0152735710144 3.0152735710144, 0.0, 7.93499994277954, 0.19245009124279, 0.0, 0.0, 0.0, 3.70408153533936, 0.383276641368866, 0.127240225672722, 2.0, 0.0, 0.594116032123566, 14.2337827682495, 0.225366085767746, 8.3823356628418, 0.301487296819687, , 7.17539262771606, 1.03051054477692, 0.0, 6.64001226425171, 0.0, 2.47687101364136, 0.0, 0.0395284704864025, 0.0, 0.0, 5.20849990844727, 0.0, 0.255121737718582, 0.0, 3.59655332565308, 1.0, 0.0263523142784834, 0.0, 2.1889111995697, 0.0, 0.0, 0.0, 1.0, 1.39405238628387, 0.0, 96.3000030517578, 0.0, 0.880340337753296, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 30.0068016052246, 1.0, 0.0, 30.1552925109863, 0.200000002980232, 0.0, 1297.0, 0.200000002980232, 1778.20104980469, 5.0, 0.0, 45.8666915893555, 3.2093026638031, 2116.36743164062, 1.0, 0.0, 55.0207138061523, 0.0, 0.0, 0.0, 0.0, 3.49456715583801, 3054.9130859375, 53.9104270935059, 5.64385604858398, 46.0, 3172.7265625, 0.0, 1900.06994628906, 0.63245552778244, 3077.3896484375, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, , 5.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 4.0, 0.0, 18.1898708343506, 0.0, 0.0, 0.333333343267441, 11.9012327194214, 2.0, 0.0, 0.0, 2.11449432373047, 0.0, 10.8681240081787, 2.0, 0.117851130664349, 6.79064464569092, 0.0, 10.0932712554932, 0.975561857223511, 17.0301761627197, 0.0, 0.0, 7.70803689956665, 0.0, 0.0, 0.852550268173218, 0.16666667163372, 2.16097092628479, 0.0, 2.0, -0.433201193809509, 1.0, 5.21671295166016, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H8N2O%2Fc7-5-6-3-1-2-4-6%2Fh1-4H2, , 0.492799282073975 0.492799282073975, 0.20412415266037, 0.032451119273901, 4.0, 0.0, 0.0, 0.594861328601837 0.594861328601837, 0.0, -0.0246056914329529, , 0.0, 0.20412415266037 0.20412415266037, -0.00552362622693181, , 0.0, 1.0, 0.0, 0.0, 0.0, 30.0, 44.0, 0.182246178388596 0.182246178388596, 0.0, 0.0, 0.0, 0.0, 0.207735031843185 0.207735031843185, 0.0, 0.0, 0.0, 5.14285707473755, 0.0, 0.0, 0.040824830532074 0.040824830532074, 0.0, 2.34375, 0.144337564706802, 0.0, 0.0, 0.0, 1.1851851940155, 0.102062076330185, 0.111803397536278, 0.0, 0.0, 0.102062076330185, 4.13110256195068, 0.0500000007450581, 2.51502966880798, 0.020412415266037, , 0.0, 0.100000001490116, 0.0, 1.74241960048676, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.19792556762695, 0.0, 0.0, , 0.782087981700897, 0.0, 0.0, 0.0, 0.157735019922256, , , , 0.0, 0.040824830532074, 0.0, 32.6699981689453, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 8.49444484710693, 0.0, 0.0, 8.24582481384277, 0.0, , 43.0, 0.0, 241.054504394531, 0.0, 0.0, 9.21820735931396, 0.0, 255.353698730469, 0.0, 0.0, 4.99655437469482, 0.0, 0.0, 0.0, , 0.0, 290.967102050781, 2.66418385505676, 3.80735492706299, 4.0, 100.647361755371, 0.0, 183.029998779297, 0.0, 39.5500373840332, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 2.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 2.0, 0.0, 5.11288404464722, , , 0.5, 3.4318516254425, 0.0, 0.0, 0.0, 0.20412415266037, 1.0, 2.55873084068298, 0.0, 0.0, 4.24264049530029, , 2.05209517478943, 0.0, 0.0, 0.0, 0.0, 1.41861128807068, 0.0, 0.0, 0.0585289783775806, 0.0, 0.0, 0.0, 1.0, -0.0315862894058228, 1.0, 0.492799282073975, 0.0, 0.0, 0.0
InChI%3D1S%2FC11H10N4%2Fc1-7-3-2-6-15-10%287%2913-8-4-5-9%2812%2914-11%288%2915%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29, 0.0, 2.64564681053162 2.64564681053162, 3.02995777130127, 0.0874186158180237, 5.0, 0.0, 0.0, 4.39823865890503 4.39823865890503, 2.10218954086304, -0.0502743944525719, 0.0, 0.0, 6.58242130279541 6.58242130279541, 0.00845868326723576, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 84.0, 179.0, 1.17695581912994 1.17695581912994, 0.0, 0.0, 0.0, 0.0, 1.7345107793808 1.7345107793808, 0.0, 0.0, 0.0, 10.1730108261108, 0.0, 0.0, 2.28208994865417 2.28208994865417, 0.0, 3.78559994697571, 0.0785674229264259, 0.0, 0.0, 0.0, 1.6457142829895, 0.348110347986221, 0.025000000372529, 0.0, 0.0, 0.713029801845551, 9.00731182098389, 0.139182642102242, 5.69203519821167, 0.246150508522987, , 4.32963848114014, 0.564263105392456, 0.0, 4.56377029418945, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.41004419326782, 0.0, 0.0986791476607323, 0.0, 2.57193112373352, 1.0, 0.0, 0.0, 1.91233503818512, 0.0, 0.0, 0.0, 0.0, 1.13287007808685, 0.0, 53.7000007629395, 0.0, 0.696121394634247, 0.0, 0.63245552778244, 0.0, 0.0, 0.0, 0.25, 16.4399528503418, 1.0, 0.0, 18.3294811248779, 0.0, 0.0, 327.0, 0.0, 987.968078613281, 1.0, 0.0, 27.5756320953369, 1.34123075008392, 1185.27294921875, 0.0, 0.0, 26.5203971862793, 0.0, 0.0, 0.0, 0.0, 1.74706780910492, 1733.55322265625, 19.3570995330811, 4.90689039230347, 24.0, 1596.89001464844, 0.0, 879.039978027344, 0.0, 1146.42883300781, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 2.0, 1.0, 5.0, 0.0, 10.4138488769531, 0.0, 0.0, 0.428571432828903, 7.25402021408081, 0.0, 1.0, 0.0, 1.09929239749908, 0.0, 6.81375741958618, 1.0, 0.0, 3.50243234634399, 0.0, 5.91291666030884, 0.275377541780472, 9.28120708465576, 2.0, 0.0, 5.11854648590088, 0.0, 1.0, 0.229020684957504, 0.0, 0.0, 0.0, 0.0, -0.166849657893181, 0.0, 4.41153478622437, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H10N2O%2Fc1-3-5-8%287-9%296-4-2%2Fh3-4H%2C1-2%2C5-6H2, , 0.492799282073975 0.492799282073975, 0.144337564706802, 0.0416407063603401, 2.0, 0.0, 0.0, 0.679412364959717 0.679412364959717, 0.0, -0.0338809154927731, , 0.0, 0.492799282073975 0.492799282073975, 0.000680255121551454, , 0.0, 1.0, 0.0, 0.0, 0.0, 32.0, 70.0, 0.156294882297516 0.156294882297516, 0.0, 0.0, 0.0, 0.0, 0.162123441696167 0.162123441696167, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.0804737880825996 0.0804737880825996, 0.0, 6.125, 0.0, 0.0, 0.0, 0.0, 4.5, 0.0, 0.0, 0.0, 0.0, 0.0, 5.28580331802368, 0.0, 2.64802289009094, 0.0, , 0.0, 0.100000001490116, 0.0, 1.53059780597687, 0.0, 0.0, , 0.0, , 0.0, 0.795167148113251, 0.0, 0.0, , 0.439246505498886, 0.0, 0.0, 0.0, 0.152549713850021, , , , 2.0, 0.0372678004205227, , 32.6699981689453, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 10.4944448471069, 0.0, , 9.24582481384277, 0.0, , 102.0, 0.16666667163372, 344.421539306641, 0.0, 0.0, 9.21820735931396, 3.18108296394348, 334.064422607422, 0.0, 0.0, 9.32892513275146, 0.0, 0.0, 0.0, , 0.0, 333.302703857422, 7.99655437469482, 4.16992521286011, 8.0, 293.166076660156, 0.0, 252.029998779297, 0.0, 216.948318481445, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 2.0, 0.0, , , 2.0, 0.0, , , 0.0, 2.0, 0.0, 1.0, 0.0, 0.0, 7.11288404464722, , , 0.5, 4.34606504440308, 2.0, 0.0, 0.0, 0.20412415266037, 1.0, 2.85162401199341, 0.0, 0.0, 2.94168281555176, , 1.9711971282959, 0.0, 0.0, 0.0, 0.0, 1.3690824508667, 0.0, 0.0, 0.0672189965844154, 0.0, 0.0, 0.0, 1.0, -0.0429956614971161, 1.0, 0.696923434734344, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H8N4O5%2Fc1-5%2814%2910-4-7-11-9%2812-18-7%296-2-3-8%2817-6%2913%2815%2916%2Fh2-3H%2C4H2%2C1H3%2C%28H%2C10%2C14%29, 0.0, 2.61357235908508 2.61357235908508, 2.37397837638855, -0.194182813167572, 1.0, 0.0, 0.0, 3.18411183357239 3.18411183357239, 1.44624304771423, 0.37240868806839, 0.0, 0.0, 3.75722193717957 3.75722193717957, -0.220335140824318, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 0.0, 90.0, 313.0, 0.508146584033966 0.508146584033966, 0.0, 0.481411129236221, 0.0, 0.0, 0.526633381843567 0.526633381843567, 0.0, 1.17598414421082, 0.0, 14.4099721908569, 0.0, 0.0, 0.457096070051193 0.457096070051193, 0.0, 6.43787002563477, 0.235702261328697, 0.0, 0.0, 0.0, 3.99583768844604, 0.287457466125488, 0.0544331036508083, 1.0, 0.0, 0.474854648113251, 9.23086833953857, 0.0568648241460323, 4.83220052719116, 0.0589754469692707, , 3.08133912086487, 0.363447725772858, 0.0, 3.27015781402588, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.90337264537811, 0.0, 0.0205692183226347, 0.0, 1.14719223976135, 1.0, 0.0, 0.0, 0.619544267654419, 0.0, 0.0, 0.0, 0.0, 0.331766486167908, 0.0, 130.470001220703, 0.0, 0.164282515645027, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.3122978210449, 0.0, 0.0, 22.9858779907227, 0.25, 0.0, 685.0, 0.0, 719.282958984375, 1.0, 0.0, 32.6148872375488, 0.5, 819.378356933594, 0.0, 0.0, 26.7286186218262, 0.0, 0.0, 0.0, 0.0, 1.15627098083496, 1095.91516113281, 24.9544887542725, 5.16992521286011, 21.0, 861.80712890625, 0.0, 423.089996337891, 0.0, 805.118530273438, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, , 5.0, 0.0, 0.0, 0.0, 1.04004192352295, 0.0, 2.0, 0.512992799282074, 3.0, 0.0, 13.1209554672241, 0.0, 0.0, 0.454545468091965, 8.55855083465576, 0.0, 0.0, 0.0, 1.44570577144623, 1.0, 7.98758363723755, 0.0, 0.0, 0.965489387512207, 0.0, 5.85727643966675, 0.25, 5.45638656616211, 2.0, 0.0, 4.45938396453857, 2.0, 0.0, 0.610772609710693, 0.0, 0.0, 2.0, 2.0, -0.278917700052261, 0.0, 3.16453075408936, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H9NO%2Fc13-8-5-6-10-9-3-1-2-4-11%289%2914-12%2810%297-8%2Fh1-7H%2C13H2, 0.0, 2.13240456581116 2.13240456581116, 2.77318382263184, -0.0220973119139671, 0.0, 0.0, 0.0, 3.73455214500427 3.73455214500427, 1.97690010070801, -0.0350147001445293, 0.0, 0.0, 5.21580028533936 5.21580028533936, 0.054889589548111, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 78.0, 171.0, 0.734138429164886 0.734138429164886, 0.0, 0.0, 0.0, 0.0, 1.04644501209259 1.04644501209259, 0.0, 0.0, 0.0, 9.2421875, 0.0, 0.0, 1.19005692005157 1.19005692005157, 0.0, 3.53875231742859, 0.0785674229264259, 0.0, 0.0, 0.0, 1.546875, 0.37359693646431, 0.0255155190825462, 0.0, 0.0, 0.648104131221771, 7.52705049514771, 0.110759600996971, 4.51230764389038, 0.144879311323166, , 5.14592981338501, 0.358413755893707, 1.0, 3.35381817817688, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.40281534194946, 4.0, 0.0548540242016315, 0.0, 1.74249362945557, 0.0, 0.0, 0.0, 1.19888663291931, 0.0, 0.0, 0.0, 0.0, 0.643220901489258, 0.0, 39.1599998474121, 0.0, 0.374415785074234, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 15.1344566345215, 2.0, 0.0, 16.8303699493408, 0.0, 0.0, 274.0, 0.0, 893.448669433594, 0.0, 0.0, 24.660737991333, 0.0, 1068.49621582031, 0.0, 0.0, 22.660737991333, 0.0, 0.0, 0.0, 0.0, 0.0, 1542.29211425781, 16.3838348388672, 4.80735492706299, 21.0, 1355.23425292969, 0.0, 443.019989013672, 0.0, 911.324462890625, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 9.54360580444336, 0.0, 0.0, 0.428571432828903, 6.84333658218384, 0.0, 0.0, 0.0, 0.894173979759216, 0.0, 6.28625202178955, 0.0, 0.0, 7.31527996063232, 0.0, 5.42673015594482, 0.191638320684433, 14.2854290008545, 0.0, 0.0, 4.83833599090576, 7.0, 0.0, 0.187851876020432, 0.0, 0.0, 1.0, 0.0, -0.0718395113945007, 0.0, 4.03695344924927, 0.0, 0.0, 0.0
InChI%3D1S%2FC11H10N6O5%2Fc1-5%2818%2912-10-14-9%2815-11%2816-10%2913-6%282%2919%297-3-4-8%2822-7%2917%2820%2921%2Fh3-4H%2C1-2H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%2C18%2C19%29, 0.0, 3.07525610923767 3.07525610923767, 3.39449071884155, 0.327486306428909, 0.0, 0.0, 0.0, 4.62275695800781 4.62275695800781, 2.17660784721375, -0.145696371793747, 0.0, 0.0, 5.64115619659424 5.64115619659424, -0.0514290630817413, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 110.0, 356.0, 0.586177706718445 0.586177706718445, 0.0, 0.814325273036957, 0.0, 0.0, 0.709533154964447 0.709533154964447, 0.0, 0.872871577739716, 0.0, 18.3402652740479, 0.0, 0.0, 0.65148651599884 0.65148651599884, 0.0, 8.203125, 0.117851130664349, 0.0, 0.0, 0.0, 5.55149745941162, 0.20412415266037, 0.0340206921100616, 2.0, 0.0, 0.407100260257721, 11.4571542739868, 0.0434052012860775, 5.8409686088562, 0.0508345440030098, , 6.34884834289551, 0.488340705633163, 0.0, 3.9720447063446, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.12755227088928, 0.0, 0.0205692183226347, 0.0, 1.39950120449066, 2.0, 0.0, 0.0, 0.76995187997818, 0.0, 0.0, 0.0, 0.0, 0.457437932491302, 0.0, 162.809997558594, 0.0, 0.236771956086159, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 28.0322742462158, 0.0, 0.0, 27.2633380889893, 0.0, 0.0, 1085.0, 0.125, 1058.01403808594, 2.0, 0.0, 40.1103553771973, 0.534522473812103, 1215.79016113281, 0.0, 0.0, 35.4770164489746, 0.0, 0.0, 0.0, 0.0, 3.29121708869934, 1655.97241210938, 38.2806015014648, 5.45943164825439, 29.0, 1555.29614257812, 0.0, 627.109985351562, 0.0, 1564.53173828125, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 2.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 4.0612621307373, 0.0, 0.0, 0.817190229892731, 3.0, 0.0, 16.27565574646, 0.0, 0.0, 0.5, 10.3462448120117, 0.0, 0.0, 0.0, 2.05807828903198, 2.0, 10.0355644226074, 0.0, 0.0, 1.0, 0.0, 6.67153072357178, 0.25, 4.26370668411255, 3.0, 0.0, 5.80589246749878, 2.0, 0.0, 0.732638657093048, 0.0, 0.0, 1.0, 2.0, -0.532015383243561, 0.0, 4.12524223327637, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H14N2O%2Fc1-5%282%297-8%289%296%283%294%2Fh5-6H%2C1-4H3, 0.0, , , -0.0428385213017464, 0.0, 0.0, 0.0, , , -0.0240541435778141, 0.0, 0.0, , 0.00740539841353893, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 36.0, 63.0, , 0.0, 0.0, 0.0, , , , 0.0, 0.0, 9.0, , 0.0, , 0.0, 3.92000007629395, , 0.0, 0.0, , 4.5, , , 0.0, 0.0, , , , , , , 0.333333343267441, , 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, , 0.0, , 4.0, , 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 41.1100006103516, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.4944448471069, 0.0, 0.0, 9.24582481384277, 0.0, 0.0, 96.0, 1.62865054607391, , 0.0, 0.0, 11.8826694488525, 0.0, , 0.0, 0.0, 9.66101741790771, 0.0, 0.0, 0.0, 0.0, 4.0, , 6.66418409347534, 4.16992521286011, 8.0, , 0.0, 412.029998779297, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 2.0, 0.0, , 0.0, 0.0, 0.400000005960464, , 0.0, 0.0, 0.0, , 1.0, , 2.0, , 0.0, 0.0, , , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0960287675261497, , 0.0, 0.0, 1.0, 0.00798866618424654, 0.0, , 0.0, 0.0, 0.0
InChI%3D1S%2FC5H10ClN3O3%2Fc6-1-2-7-5%2811%299%288-12%293-4-10%2Fh10H%2C1-4H2%2C%28H%2C7%2C11%29, 0.0, 1.06903564929962 1.06903564929962, 0.392258912324905, 0.0642147287726402, 4.0, 0.0, 1.0, 1.44280898571014 1.44280898571014, 0.201184466481209, 3.78514705516864e-05, 0.0, 0.0, 1.40829122066498 1.40829122066498, -0.174739584326744, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 46.0, 129.0, 0.225358620285988 0.225358620285988, 0.0, 0.646330416202545, 0.0, 0.0, 0.225064158439636 0.225064158439636, 0.0, 0.0, 0.0, 12.0, 0.0, 0.0, 0.178404599428177 0.178404599428177, 0.0, 7.63888883590698, 0.0, 0.0, 0.0, 0.0, 5.32544374465942, 0.0, 0.0, 2.0, 0.0, 0.0, 7.1066370010376, 0.0, 3.80386161804199, 0.0, , 0.0, 0.115432038903236, 0.0, 2.1770658493042, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.14799833297729, 0.0, 0.0141421351581812, 0.0, 0.580456912517548, 0.0, 0.0, 0.0, 0.282349407672882, 0.0, 0.0, 0.0, 0.0, 0.11538390815258, 0.0, 85.4899978637695, 0.0, 0.0498786605894566, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.1161251068115, 0.0, 0.0, 15.1941165924072, 0.0, 0.0, 226.0, 0.0, 456.827606201172, 1.0, 0.0, 16.9689559936523, 0.0, 463.085052490234, 0.0, 0.0, 18.7361164093018, 0.0, 0.0, 0.0, 0.0, 0.0, 498.934692382812, 17.660062789917, 4.58496236801147, 13.0, 484.420928955078, 0.0, 309.070007324219, 0.0, 398.725006103516, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 1.41421353816986, 0.0, 0.0, 9.39734077453613, 0.0, 0.0, 0.5, 5.75674867630005, 0.0, 0.0, 0.0, 0.402368932962418, 2.0, 4.07651567459106, 0.0, 0.0, 2.06597971916199, 0.0, 3.00160050392151, 0.117851130664349, 1.63299322128296, 0.0, 0.0, 2.02360343933105, 0.0, 0.0, 0.361013442277908, 0.0, 0.0, 0.0, 1.0, -0.197442963719368, 1.0, 1.17846834659576, 0.0, 0.0, 0.0
InChI%3D1S%2FC10H9Cl4NO2S%2Fc11-9%2812%2910%2813%2C14%2918-15-7%2816%295-3-1-2-4-6%285%298%2815%2917%2Fh1-2%2C5-6%2C9H%2C3-4H2, 0.0, 5.07260036468506 5.07260036468506, 2.42504143714905, -0.0395347066223621, 2.0, 0.0, 4.0, 5.97718906402588 5.97718906402588, 1.55934536457062, -0.0138863427564502, 0.0, 0.0, 8.53145694732666 8.53145694732666, 0.00565024605020881, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 96.0, 235.0, 5.94472932815552 5.94472932815552, 0.0, 0.25, 0.0, 0.0, 5.07513189315796 5.07513189315796, 0.0, 0.0, 1.0, 14.4099721908569, 0.0, 0.0, 5.51774215698242 5.51774215698242, 0.0, 5.17479181289673, 0.0641500279307365, 0.0, 0.0, 0.0, 2.65927982330322, 0.347716152667999, 0.0372678004205227, 0.0, 0.0, 0.615596115589142, 12.8249940872192, 0.184332758188248, 7.62444305419922, 0.278502225875854, , 4.4615421295166, 2.80946946144104, 0.0, 8.20241355895996, 0.0, 1.85053586959839, 0.0, 0.454568654298782, 0.0, 0.0, 6.16645097732544, 0.0, 1.65731203556061, 0.0, 3.44831490516663, 0.0, 0.584445416927338, 0.0, 2.69017839431763, 0.0, 0.0, 0.0, 0.0, 1.70590054988861, 0.0, 62.6800003051758, 0.0, 1.16393792629242, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 56.8876953125, 2.0, 0.0, 31.5867538452148, 0.0, 0.0, 567.0, 0.0, 1708.55078125, 2.0, 0.0, 73.2724914550781, 0.0, 2025.01196289062, 1.0, 0.0, 90.4400482177734, 0.0, 0.0, 0.0, 0.0, 0.0, 2885.89379882812, 42.1304550170898, 5.16992521286011, 30.0, 2677.8310546875, 0.0, 478.079986572266, 0.0, 2071.3046875, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 2.0, 0.0, 13.4996356964111, 0.0, 0.0, 0.5, 8.34304141998291, 2.0, 0.0, 0.0, 2.13230037689209, 0.0, 8.34166049957275, 3.0, 0.20412415266037, 3.96540641784668, 0.0, 6.90099382400513, 1.06674861907959, 6.99928522109985, 0.0, 0.0, 4.82265472412109, 0.0, 0.0, 0.508817732334137, 0.20412415266037, 0.730296730995178, 0.0, 2.0, -0.194331899285316, 1.0, 4.03859043121338, 0.0, 0.0, 0.0
InChI%3D1S%2FC10H9N%2Fc11-10-6-5-8-3-1-2-4-9%288%297-10%2Fh1-7H%2C11H2, 0.0, 1.29197371006012 1.29197371006012, 1.43704426288605, -0.00447590881958604, 0.0, 0.0, 0.0, 1.95425176620483 1.95425176620483, 0.811929047107697, -0.000332824245560914, 0.0, 0.0, 2.71106457710266 2.71106457710266, -1.93123942153761e-05, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 56.0, 108.0, 0.482122391462326 0.482122391462326, 0.0, 0.0, 0.0, 0.0, 0.609116733074188 0.609116733074188, 0.0, 0.0, 0.0, 7.63888883590698, 0.0, 0.0, 0.679712653160095 0.679712653160095, 0.0, 3.1640625, 0.0, 0.0, 0.0, 0.0, 1.60000002384186, 0.151374712586403, 0.0, 0.0, 0.0, 0.282117545604706, 6.11880207061768, 0.0518340393900871, 3.60405921936035, 0.0737416818737984, , 1.65096366405487, 0.262891709804535, 1.0, 2.60658812522888, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.773521900177, 2.0, 0.0277777779847383, 0.0, 1.20779895782471, 0.0, 0.0, 0.0, 0.829344630241394, 0.0, 0.0, 0.0, 0.0, 0.363746374845505, 0.0, 26.0200004577637, 0.0, 0.17153961956501, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.3599882125854, 2.0, 0.0, 12.1661853790283, 0.0, 0.0, 144.0, 0.0, 657.628723144531, 0.0, 0.0, 16.3323707580566, 0.0, 748.883422851562, 0.0, 0.0, 14.3323707580566, 0.0, 0.0, 0.0, 0.0, 0.0, 990.101684570312, 8.33237075805664, 4.45943164825439, 14.0, 836.441589355469, 0.0, 331.010009765625, 0.0, 432.028717041016, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.0, 0.0, 7.68179845809937, 0.0, 0.0, 0.5, 5.36017322540283, 0.0, 0.0, 0.0, 0.622008442878723, 0.0, 4.72284078598022, 0.0, 0.0, 8.78097438812256, 0.0, 3.80187177658081, 0.0833333358168602, 10.6178750991821, 0.0, 0.0, 3.1080687046051, 7.0, 0.0, 0.0269771013408899, 0.0, 0.0, 0.0, 0.0, -0.0086602158844471, 0.0, 2.60960268974304, 0.0, 0.0, 0.0
InChI%3D1S%2FC16H12N2O%2Fc19-15-11-10-12-6-4-5-9-14%2812%2916%2815%2918-17-13-7-2-1-3-8-13%2Fh1-11%2C19H%2Fb18-17%2B, 0.0, 2.31900024414062 2.31900024414062, 2.88429403305054, -0.125959604978561, 0.0, 0.0, 0.0, 3.74314045906067 3.74314045906067, 2.0200366973877, 0.000397386407712474, 0.0, 0.0, 5.22519826889038 5.22519826889038, 0.0644441917538643, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 98.0, 329.0, 0.739673852920532 0.739673852920532, 0.0, 0.0, 0.0, 0.0, 0.968216061592102 0.968216061592102, 0.0, 0.0, 0.0, 13.9591836929321, 0.0, 0.0, 1.08445024490356 1.08445024490356, 0.0, 6.63520431518555, 0.0, 0.0, 0.0, 0.0, 3.36596059799194, 0.240950956940651, 0.0, 1.0, 0.0, 0.352613568305969, 10.1924934387207, 0.080686129629612, 6.01953792572021, 0.0869609415531158, , 4.50879764556885, 0.350489139556885, 0.0, 4.18998003005981, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.90095520019531, 2.0, 0.0546274483203888, 0.0, 1.95111262798309, 0.0, 0.0, 0.0, 1.30785715579987, 0.0, 0.0, 0.0, 0.0, 0.596411943435669, 0.0, 44.9500007629395, 0.0, 0.33153310418129, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.4944458007812, 2.0, 0.0, 22.024450302124, 0.0, 0.0, 722.0, 0.0, 1177.75842285156, 0.0, 0.0, 29.6612949371338, 0.0, 1362.82592773438, 0.0, 0.0, 30.7133178710938, 0.0, 0.0, 0.0, 0.0, 0.0, 1835.32678222656, 24.7133178710938, 5.24792766571045, 28.0, 1785.91015625, 0.0, 747.030029296875, 0.0, 1350.6875, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 14.0, 0.0, 13.0791397094727, 0.0, 0.0, 0.5, 9.343337059021, 0.0, 0.0, 0.0, 0.878658592700958, 2.0, 8.00826644897461, 0.0, 0.0, 13.3375387191772, 0.0, 6.87450885772705, 0.219821989536285, 16.1034393310547, 0.0, 0.0, 5.67401075363159, 11.0, 0.0, 0.188358709216118, 0.0, 0.0, 0.0, 0.0, -0.012222052551806, 0.0, 4.69510936737061, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H14NO4P%2Fc1-9-12%288%2C10-2%297-3-5-11-6-4-7%2Fh3-6H2%2C1-2H3, 0.0, 2.53098368644714 2.53098368644714, 0.739198923110962, 0.486336141824722, 4.0, 3.0, 0.0, 3.33875107765198 3.33875107765198, 0.450523793697357, -0.214201137423515, 0.0, 0.0, 2.81245803833008 2.81245803833008, -0.268513828516006, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 56.0, 110.0, 0.899712860584259 0.899712860584259, 0.0, 0.0, 0.0, 0.0, 1.14263474941254 1.14263474941254, 0.0, 1.10520946979523, 0.0, 10.0833330154419, 0.0, 0.0, 0.889906346797943 0.889906346797943, 0.0, 4.296875, 0.0, 0.0, 1.0, 0.0, 2.25, 0.102062076330185, 0.0, 0.0, 0.0, 0.0510310381650925, 7.57979011535645, 0.0456435456871986, 4.14844751358032, 0.0306339431554079, , 0.0, 0.345816493034363, 0.0, 2.95885109901428, 0.0, 0.0, 0.0, 0.0204226281493902, 0.0, 0.0, 2.30001139640808, 0.0, 0.0750375315546989, 0.0, 1.42065024375916, 2.0, 0.0102113140746951, 0.0, 0.755653738975525, 0.0, 0.0, 0.0, 0.0, 0.267437011003494, 0.0, 57.810001373291, 0.0, 0.145783588290215, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 21.1082782745361, 0.0, 0.0, 22.97389793396, 0.814325273036957, 0.0, 190.0, 0.25, 389.048645019531, 0.0, 0.0, 27.2957172393799, 1.78885436058044, 427.469512939453, 0.0, 0.0, 24.3644351959229, 0.0, 0.0, 0.0, 0.0, 0.0, 549.478698730469, 16.4278030395508, 4.58496236801147, 17.0, 516.661315917969, 0.0, 544.059997558594, 0.0, 330.342681884766, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.02709770202637, 0.0, 0.0, 0.5, 5.72649192810059, 0.0, 0.0, 0.0, 0.946923434734344, 0.0, 4.69607067108154, 0.0, 0.144337564706802, 3.30192732810974, 0.0, 4.20612525939941, 0.27629292011261, 0.0, 0.0, 0.0, 2.62686228752136, 0.0, 0.0, 0.66655707359314, 0.0721687823534012, 0.0, 0.0, 1.0, -0.601608991622925, 1.0, 1.65775752067566, 0.0, 0.0, 0.0
InChI%3D1S%2FC10H12N4O5%2Fc15-6-5-12-3-4-13%2810%2812%2916%2911-7-8-1-2-9%2819-8%2914%2817%2918%2Fh1-2%2C7%2C15H%2C3-6H2%2Fb11-7-, 0.0, 2.96685934066772 2.96685934066772, 2.21333169937134, -0.0814930200576782, 4.0, 0.0, 0.0, 3.86401534080505 3.86401534080505, 1.2958699464798, 0.313402324914932, 0.0, 0.0, 4.1025915145874 4.1025915145874, -0.21273709833622, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 94.0, 362.0, 0.750211536884308 0.750211536884308, 0.0, 0.858374238014221, 0.0, 0.0, 0.899851620197296 0.899851620197296, 0.0, 0.851924121379852, 0.0, 15.3900003433228, 0.0, 0.0, 0.687176108360291 0.687176108360291, 0.655185341835022, 7.13580226898193, 0.214076176285744, 0.0, 0.0, 0.0, 3.98615908622742, 0.383682519197464, 0.0840206891298294, 1.0, 0.0, 0.523541152477264, 9.92953872680664, 0.11298480629921, 5.57080984115601, 0.107274606823921, , 0.825481832027435, 0.381352722644806, 0.0, 3.79405236244202, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.55986714363098, 0.0, 0.0421064645051956, 0.0, 1.64156377315521, 0.0, 0.0, 0.0, 0.817192554473877, 0.0, 0.0, 0.0, 0.0, 0.423421412706375, 0.0, 115.099998474121, 0.0, 0.205031365156174, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 24.3122978210449, 0.0, 0.0, 23.9585838317871, 0.0, 0.0, 807.0, 0.0, 876.030517578125, 1.0, 0.0, 33.1168899536133, 0.0, 1002.52374267578, 0.0, 0.0, 30.2268962860107, 0.0, 0.0, 0.0, 0.0, 0.0, 1336.04174804688, 24.373498916626, 5.24792766571045, 24.0, 1088.45776367188, 0.0, 682.090026855469, 0.0, 898.155883789062, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, , 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.21644043922424, 3.0, 0.0, 13.8280630111694, 0.0, 0.0, 0.5, 9.1133918762207, 1.0, 0.0, 0.0, 1.22990751266479, 1.0, 8.00582599639893, 0.0, 0.0, 5.69722318649292, 0.0, 6.52515745162964, 0.359116762876511, 6.41287565231323, 0.0, 0.0, 4.95518445968628, 2.0, 0.0, 0.642545998096466, 0.0, 0.0, 1.0, 3.0, -0.335987865924835, 2.0, 3.26609754562378, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H, , 0.942809045314789 0.942809045314789, 0.936856329441071, -0.00726826256141067, 0.0, , , 1.5 1.5, 0.560395419597626, 0.00396911660209298, , , 1.41421353816986 1.41421353816986, 0.000405217084335163, , 0.0, 0.333333343267441, , , , 46.0, 70.0, 0.314441025257111 0.314441025257111, , 0.0, , 0.0, 0.394233018159866 0.394233018159866, 0.0, 0.0, , 5.76000022888184, 0.0, , 0.300349175930023 0.300349175930023, 0.0, 2.31952667236328, 0.117851130664349, 0.0, , 0.0, 0.996539771556854, 0.25, 0.0340206921100616, , 0.0, 0.294627815485001, 4.87234973907471, 0.0670614913105965, 2.88918519020081, 0.0613984279334545, , 1.0, 0.142258897423744, 0.0, 1.95842659473419, 0.0, 0.0, , 0.0, , 0.0, 1.3616201877594, 2.0, 0.0196418557316065, , 0.906177043914795, 0.0, 0.0, , 0.494945228099823, , , , 0.0, 0.196636587381363, , 13.1400003433228, 0.0, 0.0925643891096115, , 0.0, 0.0, 0.0, , 0.0, 9.77446937561035, 1.0, , 10.6641836166382, 0.0, , 79.0, 0.0, 415.041076660156, 0.0, 0.0, 13.9962759017944, 0.0, 471.492492675781, 0.0, 0.0, 9.66418361663818, 0.0, , , , 0.0, 613.159057617188, 4.33209180831909, 4.16992521286011, 9.0, 400.184600830078, , 184.009994506836, 0.0, 157.593872070312, 0.0, , , 0.0, , 0.0, 0.0, , 0.0, , , 0.0, 0.0, , , 1.0, 0.0, , , 0.0, 0.0, 0.0, 0.0, 6.0, , 6.10444784164429, , , 0.25, 4.46632671356201, 0.0, 0.0, , 0.333333343267441, , 3.73552012443542, 0.0, 0.0, 6.86171770095825, , 3.21632647514343, 0.0833333358168602, 6.6689920425415, , , 2.68676519393921, 6.0, , 0.163348972797394, 0.0, 0.0, , , -0.0787805616855621, , 1.77903914451599, , , 0.0
InChI%3D1S%2FC18H12O6%2Fc1-21-11-7-12-13%288-5-6-22-18%288%2924-12%2917-15%2811%2916%2820%2914-9%2819%293-2-4-10%2814%2923-17%2Fh2-8%2C18-19H%2C1H3, 0.0, 4.83660221099854 4.83660221099854, 6.41362047195435, 0.0621128529310226, 0.0, 4.0, 0.0, 9.52715587615967 9.52715587615967, 5.16561126708984, -0.545241296291351, 0.0, 0.0, 14.2630453109741 14.2630453109741, 0.66319477558136, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 142.0, 391.0, 1.65968954563141 1.65968954563141, 0.0, 0.25, 0.0, 0.0, 2.53753423690796 2.53753423690796, 0.0, 1.39629077911377, 0.0, 16.1938781738281, 0.0, 0.0, 3.10514354705811 3.10514354705811, 0.0, 6.02055168151855, 0.196418553590775, 0.0, 0.0, 0.0, 2.33333325386047, 0.522165536880493, 0.0793816149234772, 1.0, 0.0, 1.01781952381134, 12.6072568893433, 0.166238144040108, 7.4696249961853, 0.245645403862, , 21.3672943115234, 0.692337870597839, 0.0, 5.75286388397217, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.50429058074951, 0.0, 0.155708998441696, 0.0, 3.43170738220215, 1.0, 0.0, 0.0, 2.33435201644897, 0.0, 0.0, 0.0, 0.0, 1.52248334884644, 0.0, 74.2200012207031, 0.0, 1.02271699905396, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 28.6468143463135, 4.0, 0.0, 31.3209190368652, 1.51622176170349, 0.0, 1132.0, 0.0, 1693.7197265625, 1.0, 0.0, 48.7558479309082, 0.944173991680145, 2133.458984375, 0.0, 0.0, 54.306022644043, 0.0, 0.0, 0.0, 0.0, 2.4911732673645, 3328.45458984375, 56.4026641845703, 5.58496236801147, 47.0, 3513.75122070312, 0.0, 1048.06005859375, 0.0, 3183.3310546875, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 9.0, 0.0, 16.4219207763672, 0.0, 0.0, 0.444444447755814, 11.6858720779419, 2.0, 0.0, 0.0, 1.70031785964966, 0.0, 10.9136419296265, 2.0, 0.0, 3.63587737083435, 0.0, 10.2500095367432, 0.577658295631409, 18.3096237182617, 0.0, 0.0, 9.78564262390137, 4.0, 0.0, 0.8549684882164, 0.0, 0.0, 0.0, 1.0, -0.342782139778137, 0.0, 7.89913558959961, 0.0, 0.0, 0.0
InChI%3D1S%2FC10H13N3O2%2Fc1-13%2812-15%297-3-5-10%2814%299-4-2-6-11-8-9%2Fh2%2C4%2C6%2C8H%2C3%2C5%2C7H2%2C1H3, 0.0, 1.513019323349 1.513019323349, 1.13496792316437, 0.0136491721495986, 3.0, 0.0, 0.0, 1.67341959476471 1.67341959476471, 0.731604814529419, -0.0732332989573479, 0.0, 0.0, 1.74270904064178 1.74270904064178, 0.0251338444650173, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 66.0, 231.0, 0.470425963401794 0.470425963401794, 0.0, 0.142857149243355, 0.0, 0.0, 0.456942588090897 0.456942588090897, 0.0, 0.0, 0.0, 13.0666666030884, 0.0, 0.0, 0.395342200994492 0.395342200994492, 0.0, 7.30246925354004, 0.0, 0.0, 0.0, 0.0, 5.03999996185303, 0.102062076330185, 0.0, 0.0, 0.0, 0.0589255653321743, 8.58885860443115, 0.0248451996594667, 4.71410799026489, 0.0124225998297334, , 1.0, 0.296923458576202, 0.0, 3.23133563995361, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.00845623016357, 0.0, 0.0240562614053488, 0.0, 1.18130207061768, 1.0, 0.0, 0.0, 0.678420424461365, 0.0, 0.0, 0.0, 0.0, 0.331809222698212, 0.0, 62.6300010681152, 0.0, 0.181962057948112, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.6289024353027, 1.0, 0.0, 16.9102878570557, 0.0, 0.0, 434.0, 0.0, 691.079223632812, 1.0, 0.0, 20.0485763549805, 1.38399720191956, 741.606262207031, 0.0, 0.0, 19.3252010345459, 0.0, 0.0, 0.0, 0.0, 0.365148365497589, 877.742980957031, 15.0482978820801, 4.90689039230347, 17.0, 791.269775390625, 0.0, 574.049987792969, 0.0, 599.973999023438, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.125, 1.0, 0.0, 0.755928933620453, 4.0, 0.0, 11.0960121154785, 0.0, 0.0, 0.5, 7.23638200759888, 0.0, 0.0, 0.0, 0.6910440325737, 1.0, 5.81969785690308, 0.0, 0.0, 7.29830408096313, 0.0, 4.50788068771362, 0.117851130664349, 6.55071020126343, 1.0, 0.0, 2.93131685256958, 4.0, 0.0, 0.249339327216148, 0.0, 0.0, 0.0, 2.0, -0.0877894908189774, 1.0, 2.04615592956543, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H14ClNS2%2Fc1-4-10%285-2%298%2811%2912-6-7%283%299%2Fh3-6H2%2C1-2H3, 0.0, 1.40652620792389 1.40652620792389, 0.40824830532074, 0.0329166315495968, 3.0, 0.0, 1.0, 1.65096294879913 1.65096294879913, 0.272165536880493, -0.0232883598655462, 0.0, 0.0, 1.36094164848328 1.36094164848328, -0.0205881763249636, 0.0, 0.0, 0.75, 1.0, 0.0, 0.0, 48.0, 120.0, 1.55616307258606 1.55616307258606, 0.0, 0.0, 0.0, 0.0, 1.85827910900116 1.85827910900116, 0.0, 0.0, 1.0, 12.0, 0.0, 0.0, 1.70772552490234 1.70772552490234, 0.0, 6.50887584686279, 0.0, 0.0, 0.0, 0.0, 5.32544374465942, 0.0, 0.0, 0.0, 0.0, 0.0, 9.85902404785156, 0.0, 5.6350998878479, 0.0, , 0.333333343267441, 0.730686962604523, 0.0, 4.38782167434692, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.27570009231567, 0.0, 0.167705103754997, 0.0, 2.03264260292053, 2.0, 0.0, 0.0, 1.07721483707428, 0.0, 0.0, 0.0, 1.0, 0.389019966125488, 0.0, 60.6300010681152, 0.0, 0.252089321613312, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 32.3282470703125, 0.0, 0.0, 18.4596481323242, 0.0, 0.0, 224.0, 0.516459047794342, 1025.51806640625, 2.0, 0.0, 29.260311126709, 3.06562209129333, 1062.30139160156, 0.0, 0.0, 30.0654010772705, 0.0, 0.0, 0.0, 0.0, 1.81712055206299, 1200.66345214844, 21.4668483734131, 4.58496236801147, 13.0, 1105.21606445312, 0.0, 493.040008544922, 0.0, 844.357788085938, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 5.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 9.56047821044922, 0.0, 0.0, 0.428571432828903, 5.61259078979492, 0.0, 0.0, 0.0, 0.810617208480835, 0.0, 4.52505731582642, 0.0, 0.0, 0.944940805435181, 0.0, 3.05285143852234, 0.117851130664349, 2.48111128807068, 0.0, 0.0, 1.92534029483795, 0.0, 0.0, 0.125866040587425, 0.0, 0.0, 0.0, 0.0, -0.0807284787297249, 1.0, 0.897568464279175, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H10N2.2ClH%2Fc1-5-2-3-6%288%294-7%285%299%3B%3B%2Fh2-4H%2C8-9H2%2C1H3%3B2%2A1H, 0.0, 1.47827804088593 1.47827804088593, 0.504473328590393, -0.00403011636808515, 0.0, 0.0, 0.0, 1.55802857875824 1.55802857875824, 0.0680413842201233, -0.0222198460251093, 0.0, 0.0, 2.07593297958374 2.07593297958374, 0.0129714887589216, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 42.0, 820130816.0, 0.526780605316162 0.526780605316162, 0.0, 0.0, 0.0, 0.0, 0.428561210632324 0.428561210632324, 0.0, 0.0, 0.0, 13.580246925354, 0.0, 0.0, 0.475100815296173 0.475100815296173, 0.0, 5.625, 0.0, 0.0, 0.0, 0.0, 3.78698229789734, 0.0680413842201233, 0.0, 0.0, 0.0, 0.20412415266037, 7.83624124526978, 0.0240562614053488, 2.81538414955139, 0.0518340393900871, , 1.65096366405487, 0.323895931243896, 2.0, 2.11602544784546, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.30329406261444, 0.0, 0.0481125228106976, 0.0, 0.658956468105316, 1.0, 0.0, 0.0, 0.423842519521713, 0.0, 0.0, 0.0, 0.0, 0.117556966841221, 0.0, 52.0400009155273, 0.25, 0.0138888889923692, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 27.1454830169678, 1.0, 0.0, 9.33237075805664, 0.0, 0.0, 19000000512.0, 0.0, 479.517547607422, 0.0, 0.0, 12.664740562439, 1.14471423625946, 502.644897460938, 0.0, 0.0, 10.8309259414673, 0.0, 0.0, 0.0, 0.0, 1.5, 632.385803222656, 4.69235849380493, 4.45943164825439, 10.0, 483.969482421875, 0.0, 331.040008544922, 0.0, 168.950820922852, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 6.85337114334106, 0.0, 0.0, 0.999000012874603, 4.19837713241577, 0.0, 0.0, 0.0, 0.760079681873322, 0.0, 3.87279200553894, 0.0, 0.0, 1.65096366405487, 0.0, 2.86036610603333, 0.16666667163372, 5.85380077362061, 0.0, 0.0, 1.81676292419434, 3.0, 0.0, 0.0551652945578098, 0.0, 0.0, 0.0, 0.0, -0.0140979457646608, 0.0, 1.33160018920898, 0.0, 0.0, 0.0
InChI%3D1S%2FC20H14N2O10S3.3Na%2Fc23-16-7-5-11-9-12%2833%2824%2C25%2926%2910-18%2835%2830%2C31%2932%2919%2811%2920%2816%2922-21-15-6-8-17%2834%2827%2C28%2929%2914-4-2-1-3-13%2814%2915%3B%3B%3B%2Fh1-10%2C23H%2C%28H%2C24%2C25%2C26%29%28H%2C27%2C28%2C29%29%28H%2C30%2C31%2C32%29%3B%3B%3B%2Fq%3B3%2A%2B1%2Fp-3%2Fb22-21%2B%3B%3B%3B, 0.0, 8.33922290802002 8.33922290802002, 7.13823366165161, 0.00577016687020659, 0.0, 0.0, 0.0, 12.3828163146973 12.3828163146973, 5.03883171081543, 0.110659889876842, 0.0, 0.0, 18.9936370849609 18.9936370849609, -0.0399473682045937, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 196.0, -1309411456.0, 2.38802933692932 2.38802933692932, 0.0, 6.50976037979126, 3.0, 0.0, 3.3142511844635 3.3142511844635, 0.0, 0.0, 0.0, 36.0263175964355, 0.0, 0.0, 4.33461618423462 4.33461618423462, 0.0, 13.3199996948242, 0.0, 0.0, 0.0, 0.0, 7.85318565368652, 0.25, 0.0, 1.0, 0.0, 0.534966230392456, 17.1659622192383, 0.0902777761220932, 10.7630567550659, 0.169551908969879, , 13.0609722137451, 1.24517369270325, 0.0, 8.30566024780273, 0.0, 0.0, 0.0, 0.0323152802884579, 0.0, 0.0, 5.83860445022583, 4.0, 0.253200650215149, 0.0, 4.234778881073, 0.0, 0.00932861771434546, 0.0, 3.11301827430725, 0.0, 0.0, 0.0, 0.0, 1.77334272861481, 0.0, 241.690002441406, 0.0, 1.00298464298248, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 72.8392791748047, 4.0, 0.0, 67.0414047241211, 0.0, 0.0, 108000002048.0, 0.0, 3033.86889648438, 0.0, 0.0, 81.6390533447266, 0.0, 3664.11352539062, 0.0, 0.0, 86.2154388427734, 0.0, 0.0, 0.0, 0.0, 0.0, 5559.30419921875, 97.7815780639648, 6.24792766571045, 64.0, 5942.70703125, 0.0, 995.179992675781, 0.0, 5596.5048828125, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 16.0, 0.0, 25.7587833404541, 0.0, 0.0, 0.999000012874603, 16.175687789917, 0.0, 0.0, 0.0, 5.5665111541748, 2.0, 17.562255859375, 0.0, 0.866025388240814, 9.63172817230225, 0.0, 12.5186796188354, 1.54825413227081, 25.0386791229248, 0.0, 0.0, 10.4897203445435, 10.0, 0.0, 0.971802949905396, 0.380039840936661, 0.0, 0.0, 6.0, -0.385771185159683, 0.0, 9.35740375518799, 0.0, 0.0, 0.0
InChI%3D1S%2FC2H6O%2Fc1-2-3%2Fh3H%2C2H2%2C1H3, 0.0, 0.0 0.0, 0.0, -0.00858001224696636, 1.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 6.0, 6.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 2.15432047843933, 0.0, 1.02333450317383, 0.0, , 0.0, 0.0, 0.0, 0.31622776389122, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.77446913719177, 0.0, 0.0, 2.33209204673767, 0.0, 0.0, 4.0, 0.0, 46.7352104187012, 0.0, 0.0, 1.33209192752838, 1.0, 32.2418594360352, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 13.6452150344849, 0.0, 2.58496260643005, 0.0, 0.0, 0.0, 58.0099983215332, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.70710682868958, 0.0, 0.0, 0.5, 1.41421353816986, 0.0, 0.0, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0836360454559326, 0.0, 0.0, 0.0, 0.0, -0.0332380123436451, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC13H14N2.2ClH%2Fc14-12-5-1-10%282-6-12%299-11-3-7-13%2815%298-4-11%3B%3B%2Fh1-8H%2C9%2C14-15H2%3B2%2A1H, 0.0, 1.62954914569855 1.62954914569855, 1.65425360202789, -0.00894443225115538, 1.0, 0.0, 0.0, 1.96420383453369 1.96420383453369, 1.06531405448914, -0.000685986073222011, 0.0, 0.0, 2.76322031021118 2.76322031021118, -9.46119689615443e-06, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 74.0, 1935228928.0, 0.612238883972168 0.612238883972168, 0.0, 0.0, 0.0, 0.0, 0.662076830863953 0.662076830863953, 0.0, 0.0, 0.0, 17.0, 0.0, 0.0, 0.765955209732056 0.765955209732056, 0.0, 8.16326522827148, 0.0, 0.0, 0.0, 0.0, 5.44444465637207, 0.16666667163372, 0.0, 0.0, 0.0, 0.284517794847488, 10.9300994873047, 0.0555555559694767, 4.92719125747681, 0.0713587254285812, , 1.53261888027191, 0.428152352571487, 2.0, 3.65994000434875, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.36768674850464, 0.0, 0.0, 0.0, 1.50667929649353, 0.0, 0.0, 0.0, 1.10662662982941, 0.0, 0.0, 0.0, 0.0, 0.493450403213501, 0.0, 52.0400009155273, 0.100000001490116, 0.27498596906662, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 33.1454849243164, 2.0, 0.0, 16.3323707580566, 0.0, 0.0, 31000000512.0, 0.0, 927.491394042969, 0.0, 0.0, 21.6647415161133, 0.0, 1017.81768798828, 0.0, 0.0, 18.6647415161133, 0.0, 0.0, 0.0, 0.0, 0.0, 1303.4326171875, 12.3323707580566, 5.08746290206909, 18.0, 1125.32653808594, 0.0, 752.039978027344, 0.0, 773.603576660156, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.0, 0.0, 10.6733617782593, 0.0, 0.0, 0.999000012874603, 7.23718357086182, 0.0, 0.0, 0.0, 0.985598564147949, 0.0, 6.48749780654907, 0.0, 0.0, 11.8767204284668, 0.0, 4.93752384185791, 0.0, 14.3116302490234, 0.0, 0.0, 3.60103964805603, 8.0, 0.0, 0.0539545640349388, 0.0, 0.0, 0.0, 0.0, -0.0173184778541327, 0.0, 3.21497464179993, 0.0, 0.0, 0.0
InChI%3D1S%2FC32H24N6O14S4.4Na%2Fc33-23-13-21%2853%2841%2C42%2943%299-17-11-25%2855%2847%2C48%2949%2929%2831%2839%2927%2817%2923%2937-35-19-5-1-15%282-6-19%2916-3-7-20%288-4-16%2936-38-30-26%2856%2850%2C51%2952%2912-18-10-22%2854%2844%2C45%2946%2914-24%2834%2928%2818%2932%2830%2940%3B%3B%3B%3B%2Fh1-14%2C39-40H%2C33-34H2%2C%28H%2C41%2C42%2C43%29%28H%2C44%2C45%2C46%29%28H%2C47%2C48%2C49%29%28H%2C50%2C51%2C52%29%3B%3B%3B%3B%2Fq%3B4%2A%2B1%2Fp-4%2Fb37-35-%2C38-36%2B%3B%3B%3B%3B, 0.0, 13.3479280471802 13.3479280471802, 10.4820117950439, -0.0585040785372257, 0.0, 0.0, 0.0, 19.8298664093018 19.8298664093018, 8.99185466766357, -0.323873579502106, 0.0, 0.0, 29.8652935028076 29.8652935028076, -0.152483180165291, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 314.0, 1740915584.0, 3.69290590286255 3.69290590286255, 0.0, 8.25507259368896, 4.0, 0.0, 4.49347400665283 4.49347400665283, 0.0, 0.0, 0.0, 56.1300735473633, 0.0, 0.0, 5.32031202316284 5.32031202316284, 0.0, 21.5360240936279, 0.0, 0.0, 0.0, 0.0, 12.8828268051147, 0.368499606847763, 0.0, 2.0, 0.0, 0.840221405029297, 27.6553115844727, 0.133306607604027, 17.070369720459, 0.244000509381294, , 22.3068714141846, 2.1601459980011, 2.0, 13.4508848190308, 0.0, 0.0, 0.0, 0.0646305605769157, 0.0, 0.0, 9.08416938781738, 4.0, 0.348375856876373, 0.0, 6.19447040557861, 0.0, 0.0186572354286909, 0.0, 4.37012004852295, 0.0, 0.0, 0.0, 0.0, 2.70041823387146, 0.0, 404.260009765625, 0.0476190485060215, 1.73411333560944, 0.0, 0.868474066257477, 0.0, 0.0, 0.0, 0.0, 108.168647766113, 6.0, 0.0, 100.737205505371, 0.0, 0.0, 230000017408.0, 0.0, 4713.919921875, 0.0, 0.0, 126.62434387207, 0.0, 5663.82470703125, 0.0, 0.0, 136.310974121094, 0.0, 0.0, 0.0, 0.0, 0.0, 8521.5009765625, 149.746063232422, 6.90689039230347, 104.0, 9181.2119140625, 0.0, 3021.28002929688, 0.0, 8614.09375, 14.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.29482793807983, 0.0, 0.0, 0.0, 26.0, 0.0, 41.1202278137207, 0.0, 0.0, 0.999000012874603, 25.9287281036377, 0.0, 0.0, 0.0, 8.41408634185791, 4.0, 27.8768310546875, 0.0, 1.15470051765442, 14.0841579437256, 0.0, 20.5421104431152, 2.30637145042419, 38.9521408081055, 0.0, 0.0, 17.1729431152344, 14.0, 0.0, 1.53024065494537, 0.524377405643463, 0.0, 0.0, 8.0, -0.457402259111404, 0.0, 14.6905727386475, 0.0, 0.0, 0.0
InChI%3D1S%2FC5H11Cl2N%2Fc1-8%284-2-6%295-3-7%2Fh2-5H2%2C1H3, 0.0, 0.40824830532074 0.40824830532074, 0.144337564706802, -0.0846392065286636, 4.0, 0.0, 2.0, 0.55258584022522 0.55258584022522, 0.0, 0.141528129577637, 0.0, 0.0, 0.288675129413605 0.288675129413605, -0.0368702225387096, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 28.0, 61.0, 0.31622776389122 0.31622776389122, 0.0, 0.0, 0.0, 0.0, 0.47037199139595 0.47037199139595, 0.0, 0.0, 0.0, 8.0, 0.0, 0.0, 0.253546267747879 0.253546267747879, 0.0, 5.14285707473755, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.54342746734619, 0.0, 3.68323659896851, 0.0, , 0.0, 0.223606795072556, 0.0, 2.43716931343079, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.27053391933441, 0.0, 0.0, 0.0, 0.977464556694031, 1.0, 0.0, 0.0, 0.253546267747879, 0.0, 0.0, 0.0, 0.0, 0.143747225403786, 0.0, 3.24000000953674, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.7854957580566, 0.0, 0.0, 11.4020309448242, 0.0, 0.0, 75.0, 0.0, 388.758178710938, 0.0, 0.0, 11.2358455657959, 1.63299322128296, 369.235046386719, 0.0, 0.0, 10.8845453262329, 0.0, 0.0, 0.0, 0.0, 0.0, 357.774169921875, 12.8069496154785, 4.0, 6.0, 289.829040527344, 0.0, 268.029998779297, 0.0, 200.916656494141, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.40577745437622, 0.0, 0.0, 0.5, 3.80806040763855, 0.0, 0.0, 0.0, 0.288675129413605, 0.0, 2.68252205848694, 0.0, 0.0, 2.94168281555176, 0.0, 1.56294882297516, 0.0, 0.0, 0.0, 0.0, 1.12993609905243, 0.0, 0.0, 0.194723755121231, 0.0, 0.0, 0.0, 0.0, -0.0948336124420166, 1.0, 0.288675129413605, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H13NO%2Fc1-4-7%285-2%296%283%298%2Fh4-5H2%2C1-3H3, 0.0, 1.13807117938995 1.13807117938995, 0.0, 0.0476569049060345, 2.0, 0.0, 0.0, 1.30473780632019 1.30473780632019, 0.0, -0.0183780789375305, 0.0, 0.0, 0.333333343267441 0.333333343267441, -0.00692140683531761, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 30.0, 43.0, 0.51015317440033 0.51015317440033, 0.0, 0.0, 0.0, 0.0, 0.55579674243927 0.55579674243927, 0.0, 0.0, 0.0, 8.0, 0.0, 0.0, 0.0912870913743973 0.0912870913743973, 0.0, 3.9375, 0.0, 0.0, 0.0, 0.0, 2.8125, 0.0, 0.0, 0.0, 0.0, 0.0, 5.76967525482178, 0.0, 2.97440004348755, 0.0, , 0.0, 0.203090488910675, 0.0, 1.6913081407547, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.20876860618591, 0.0, 0.0456435456871986, 0.0, 0.668933987617493, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.3099994659424, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.13445663452148, 0.0, 0.0, 7.83064794540405, 0.0, 0.0, 67.0, 0.75, 315.930816650391, 1.0, 0.0, 9.38411331176758, 2.88449907302856, 309.743591308594, 0.0, 0.0, 8.66418361663818, 0.0, 0.0, 0.0, 0.0, 1.44224953651428, 333.918701171875, 5.66418409347534, 4.0, 8.0, 285.646087646484, 0.0, 344.019989013672, 0.0, 135.735977172852, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.56891393661499, 0.0, 0.0, 0.5, 3.71874403953552, 0.0, 0.0, 0.0, 0.5, 0.0, 2.8205931186676, 0.0, 0.0, 0.5, 0.0, 1.99156379699707, 0.16666667163372, 1.0, 0.0, 0.0, 1.23148417472839, 0.0, 0.0, 0.195098370313644, 0.0, 0.0, 0.0, 1.0, -0.119906604290009, 1.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H10O%2Fc1-7%289%298-5-3-2-4-6-8%2Fh2-7%2C9H%2C1H3, 0.0, 1.04044008255005 1.04044008255005, 0.451184451580048, -0.013014174066484, 0.0, 0.0, 0.0, 1.05473780632019 1.05473780632019, 0.235702261328697, -0.000956042436882854, 0.0, 0.0, 1.04044008255005 1.04044008255005, -3.3714204619173e-05, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 40.0, 69.0, 0.399440497159958 0.399440497159958, 0.0, 0.0, 0.0, 0.0, 0.343092858791351 0.343092858791351, 0.0, 0.0, 0.0, 7.11111116409302, 0.0, 0.0, 0.266293674707413 0.266293674707413, 0.0, 3.23966932296753, 0.0, 0.0, 0.0, 0.0, 2.0, 0.102062076330185, 0.0, 1.0, 0.0, 0.0589255653321743, 5.41131544113159, 0.0320750139653683, 3.03490781784058, 0.0185185186564922, , 1.0, 0.225324496626854, 0.0, 2.08665704727173, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.28197705745697, 0.0, 0.0430331490933895, 0.0, 0.731555283069611, 1.0, 0.0, 0.0, 0.417401641607285, 0.0, 0.0, 0.0, 0.0, 0.129875838756561, 0.0, 20.2299995422363, 0.0, 0.0536005049943924, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.77446937561035, 1.0, 0.0, 9.33209228515625, 0.0, 0.0, 88.0, 0.0, 423.320892333984, 0.0, 0.0, 11.6641836166382, 1.34123075008392, 451.376800537109, 0.0, 0.0, 9.66418361663818, 0.0, 0.0, 0.0, 0.0, 1.41421353816986, 533.544982910156, 5.66418409347534, 4.16992521286011, 9.0, 409.581604003906, 0.0, 289.010009765625, 0.0, 192.192230224609, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 6.69023466110229, 0.0, 0.0, 0.400000005960464, 4.30453062057495, 0.0, 0.0, 0.0, 0.5, 0.0, 3.6421070098877, 1.0, 0.0, 6.08364343643188, 0.0, 2.59263896942139, 0.16666667163372, 4.74510288238525, 0.0, 0.0, 1.80083346366882, 5.0, 0.0, 0.0754704624414444, 0.0, 0.0, 0.0, 0.0, -0.0237307958304882, 0.0, 1.25044357776642, 0.0, 0.0, 0.0
InChI%3D1S%2FC2H4Cl2O%2Fc3-1-5-2-4%2Fh1-2H2, 0.0, 0.0 0.0, 0.0, 0.153912678360939, 2.0, 1.0, 2.0, 0.0 0.0, 0.0, -0.0687064453959465, 0.0, 0.0, 0.0 0.0, 0.0152375204488635, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 14.0, 24.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.09024858474731, 0.0, 2.18091773986816, 0.0, , 0.0, 0.0, 0.0, 0.858777821063995, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.462910056114197, 0.0, 0.0, 0.0, 0.262445330619812, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.22999954223633, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 21.1999759674072, 0.0, 0.0, 8.56765842437744, 0.0, 0.0, 20.0, 0.0, 156.442977905273, 0.0, 0.0, 8.86397171020508, 0.0, 131.628326416016, 0.0, 0.0, 5.90347480773926, 0.0, 0.0, 0.0, 0.0, 0.0, 94.4086608886719, 8.71275329589844, 3.32192802429199, 2.0, 58.8737564086914, 0.0, 44.0299987792969, 0.0, 22.8639373779297, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.12132024765015, 0.0, 0.0, 0.5, 2.41421365737915, 0.0, 0.0, 0.0, 0.0, 0.0, 1.35355341434479, 0.0, 0.0, 0.5, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.353553384542465, 0.0, 0.0, 0.28129854798317, 0.0, 0.0, 0.0, 0.0, -0.241093024611473, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H10N2O%2Fc15-14-12-8-6-11%287-9-12%2913-10-4-2-1-3-5-10%2Fh1-9%2C13H, 0.0, 1.30585181713104 1.30585181713104, 1.68752896785736, -0.024740943685174, 0.0, 0.0, 0.0, 1.79898548126221 1.79898548126221, 1.10703253746033, -0.00768898380920291, 0.0, 0.0, 2.14255714416504 2.14255714416504, -0.0368259772658348, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 72.0, 240.0, 0.392278760671616 0.392278760671616, 0.0, 0.0, 0.0, 0.0, 0.454688489437103 0.454688489437103, 0.0, 0.0, 0.0, 11.484375, 0.0, 0.0, 0.462386935949326 0.462386935949326, 0.0, 5.91499996185303, 0.0, 0.0, 0.0, 0.0, 3.5, 0.185395404696465, 0.0, 0.0, 0.0, 0.19001992046833, 8.05161476135254, 0.0598527938127518, 4.63823175430298, 0.0423489958047867, , 0.965489387512207, 0.241202265024185, 0.0, 3.12918663024902, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.03517818450928, 0.0, 0.0, 0.0, 1.29377436637878, 0.0, 0.0, 0.0, 0.855744063854218, 0.0, 0.0, 0.0, 0.0, 0.347172290086746, 0.0, 41.4599990844727, 0.0, 0.18889881670475, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 16.4944458007812, 0.0, 0.0, 17.0520210266113, 0.0, 0.0, 408.0, 0.0, 813.424011230469, 0.0, 0.0, 21.3292026519775, 0.0, 907.79736328125, 0.0, 0.0, 19.6612949371338, 0.0, 0.0, 0.0, 0.0, 0.0, 1140.24304199219, 14.1627397537231, 4.90689039230347, 18.0, 998.515747070312, 0.0, 466.029998779297, 0.0, 713.195434570312, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.200000002980232, 0.0, 0.0, 0.0, 12.0, 0.0, 10.5102252960205, 0.0, 0.0, 0.5, 7.38134145736694, 0.0, 1.0, 0.0, 0.61237245798111, 1.0, 6.0347375869751, 0.0, 0.0, 11.3306121826172, 0.0, 4.93508815765381, 0.0, 10.1704950332642, 0.0, 0.0, 3.76968121528625, 9.0, 0.0, 0.110058352351189, 0.0, 0.0, 0.0, 1.0, -0.0166268162429333, 0.0, 3.02161502838135, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H10N2O2%2Fc1-6%285-8%293-2-4-7%2Fh7H%2C2-4H2%2C1H3, , 0.492799282073975 0.492799282073975, 0.144337564706802, 0.0357097610831261, 3.0, 0.0, 0.0, 0.348461717367172 0.348461717367172, 0.0, -0.0688305199146271, , 0.0, 0.288675129413605 0.288675129413605, 0.0510735474526882, , 0.0, 1.0, 0.0, 0.0, 0.0, 28.0, 63.0, 0.157735019922256 0.157735019922256, 0.0, 0.16666667163372, 0.0, 0.0, 0.111535504460335 0.111535504460335, 0.0, 0.0, 0.0, 8.0, 0.0, 0.0, 0.0604902915656567 0.0604902915656567, 0.0, 5.14285707473755, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 1.0, 0.0, 0.0, 4.87120962142944, 0.0, 2.46224331855774, 0.0, , 0.0, 0.141421362757683, 0.0, 1.54006576538086, 0.0, 0.0, , 0.0, , 0.0, 0.779219269752502, 0.0, 0.0, , 0.340360075235367, 1.0, 0.0, 0.0, 0.131200969219208, , , , 0.0, 0.0129099441692233, 0.0, 52.9000015258789, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 10.2689142227173, 0.0, , 8.57791614532471, 0.0, , 76.0, 0.0, 237.010757446289, 0.0, 0.0, 8.38411331176758, 1.04004192352295, 226.8486328125, 0.0, 0.0, 7.32864665985107, 0.0, 0.0, 0.0, , 0.0, 218.666793823242, 5.0517430305481, 4.0, 6.0, 164.978500366211, 0.0, 233.039993286133, 0.0, 101.099388122559, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 2.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 6.40577745437622, , , 0.5, 3.80806040763855, 0.0, 0.0, 0.0, 0.288675129413605, 1.0, 2.65564846992493, 0.0, 0.0, 2.38110160827637, , 1.74740028381348, 0.0, 0.0, 0.0, 0.0, 0.75670999288559, 0.0, 0.0, 0.147763907909393, 0.0, 0.0, 0.0, 1.0, -0.063737653195858, 1.0, 0.492799282073975, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H10N2O3%2Fc1-5%289%293-8%287-11%294-6%282%2910%2Fh3-4H2%2C1-2H3, , 0.9112309217453 0.9112309217453, 0.38490018248558, -0.106270141899586, 2.0, 0.0, 0.0, 1.44181478023529 1.44181478023529, 0.0, 0.0788701996207237, , 0.0, 1.50505578517914 1.50505578517914, -0.101844497025013, , 0.0, 1.0, 0.0, 0.0, 0.0, 44.0, 92.0, 0.269924283027649 0.269924283027649, 0.0, 0.56462162733078, 0.0, 0.0, 0.355671763420105 0.355671763420105, 0.0, 0.0, 0.0, 11.0, 0.0, 0.0, 0.237942516803741 0.237942516803741, 0.0, 5.625, 0.0, 0.0, 0.0, 0.0, 6.40000009536743, 0.0, 0.0, 0.0, 0.0, 0.0, 6.53338575363159, 0.0, 3.13038468360901, 0.0, , 0.25, 0.38867512345314, 0.0, 2.30835723876953, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.925825417041779, 0.0, 0.0, , 0.627686977386475, 2.0, 0.0, 0.0, 0.238752201199532, 0.0, , , 0.0, 0.110862195491791, 0.0, 66.8099975585938, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 14.0433835983276, 0.0, 0.0, 11.910008430481, 0.0, , 172.0, 0.16666667163372, 380.457885742188, 2.0, 0.0, 14.5465745925903, 1.41421353816986, 388.2646484375, 0.0, 0.0, 12.4358568191528, 0.0, 0.0, 0.0, , 1.78885436058044, 439.376892089844, 13.7676706314087, 4.45943164825439, 10.0, 357.978179931641, 0.0, 290.049987792969, 0.0, 324.009460449219, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , 0.0, 0.0, 2.0, 0.0, 1.0, 0.0, 0.0, 8.85337162017822, , , 0.5, 5.05774927139282, 0.0, 0.0, 0.0, 1.0206207036972, 1.0, 4.533371925354, 0.0, 0.0, 0.5, 0.0, 2.18682599067688, 0.0, 2.30940103530884, 0.0, 0.0, 1.76289176940918, 0.0, 0.0, 0.331898510456085, 0.0, 0.0, 0.0, 3.0, -0.0683930963277817, 1.0, 1.05156683921814, 0.0, 0.0, 0.0
InChI%3D1S%2FC20H14N2O10S3.3Na%2Fc23-20-18%2835%2830%2C31%2932%2910-11-9-12%2833%2824%2C25%2926%295-6-13%2811%2919%2820%2922-21-16-7-8-17%2834%2827%2C28%2929%2915-4-2-1-3-14%2815%2916%3B%3B%3B%2Fh1-10%2C23H%2C%28H%2C24%2C25%2C26%29%28H%2C27%2C28%2C29%29%28H%2C30%2C31%2C32%29%3B%3B%3B%2Fq%3B3%2A%2B1%2Fp-3%2Fb22-21%2B%3B%3B%3B, 0.0, 8.44734001159668 8.44734001159668, 6.61624526977539, -0.0243947338312864, 0.0, 0.0, 0.0, 12.9377546310425 12.9377546310425, 5.2650580406189, -0.19543781876564, 0.0, 0.0, 18.2748794555664 18.2748794555664, 0.141290843486786, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 196.0, -1309411456.0, 2.30834031105042 2.30834031105042, 0.0, 6.31417560577393, 3.0, 0.0, 2.85442280769348 2.85442280769348, 0.0, 0.0, 0.0, 36.0263175964355, 0.0, 0.0, 3.46798539161682 3.46798539161682, 0.0, 13.3199996948242, 0.0, 0.0, 0.0, 0.0, 7.85318565368652, 0.252291202545166, 0.0, 1.0, 0.0, 0.527537286281586, 17.1659622192383, 0.0907095670700073, 10.7630567550659, 0.17053884267807, , 12.8613319396973, 1.25484251976013, 0.0, 8.3249979019165, 0.0, 0.0, 0.0, 0.0323152802884579, 0.0, 0.0, 5.77190637588501, 4.0, 0.227296456694603, 0.0, 3.96025133132935, 0.0, 0.00932861771434546, 0.0, 2.85221219062805, 0.0, 0.0, 0.0, 0.0, 1.74171686172485, 0.0, 241.690002441406, 0.0, 1.057936668396, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 72.8392791748047, 4.0, 0.0, 67.0414047241211, 0.0, 0.0, 108000002048.0, 0.0, 2958.58911132812, 0.0, 0.0, 81.6390533447266, 0.0, 3556.26245117188, 0.0, 0.0, 87.10205078125, 0.0, 0.0, 0.0, 0.0, 0.0, 5364.20947265625, 89.3111724853516, 6.24792766571045, 64.0, 5677.52197265625, 0.0, 995.179992675781, 0.0, 5199.7333984375, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 16.0, 0.0, 25.7587833404541, 0.0, 0.0, 0.999000012874603, 16.175687789917, 0.0, 0.0, 0.0, 5.54823064804077, 2.0, 17.5305919647217, 0.0, 0.866025388240814, 9.74168682098389, 0.0, 12.6238021850586, 1.5820347070694, 25.0843715667725, 0.0, 0.0, 10.6920518875122, 10.0, 0.0, 0.9923375248909, 0.380039840936661, 0.0, 0.0, 6.0, -0.354270607233047, 0.0, 8.8174295425415, 0.0, 0.0, 0.0
InChI%3D1S%2FC5H3Cl3O3%2Fc6-2-1%283%287%298%294%289%2911-5%282%2910%2Fh3-4%2C9H, 0.0, 2.43893313407898 2.43893313407898, 0.507867813110352, 0.224535048007965, 0.0, 1.0, 3.0, 4.13089609146118 4.13089609146118, 0.181443691253662, -0.34016889333725, 0.0, 0.0, 4.53416681289673 4.53416681289673, 0.0751860663294792, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 54.0, 82.0, 1.25095081329346 1.25095081329346, 0.0, 0.25, 0.0, 0.0, 1.79763448238373 1.79763448238373, 0.0, 1.0, 0.0, 9.09090900421143, 0.0, 0.0, 1.4119508266449 1.4119508266449, 0.0, 3.1640625, 0.0785674229264259, 0.0, 0.0, 0.0, 1.60000002384186, 0.281063169240952, 0.0294627826660872, 1.0, 0.0, 0.462506860494614, 7.32009077072144, 0.0756222903728485, 3.85575366020203, 0.106373578310013, , 6.33538293838501, 0.690595030784607, 0.0, 3.30191802978516, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.99519336223602, 0.0, 0.193225711584091, 0.0, 1.4388974905014, 0.0, 0.0, 0.0, 0.41897264122963, 0.0, 0.0, 0.0, 0.0, 0.149182513356209, 0.0, 46.5299987792969, 0.0, 0.0609925277531147, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 36.4616661071777, 0.0, 0.0, 18.1835803985596, 0.0, 0.0, 142.0, 0.0, 663.4755859375, 3.0, 0.0, 34.3970108032227, 0.0, 754.069885253906, 0.0, 0.0, 34.5669479370117, 0.0, 0.0, 0.0, 0.0, 0.0, 1014.21484375, 46.0954704284668, 4.45943164825439, 15.0, 822.538330078125, 0.0, 86.0599975585938, 0.0, 465.803527832031, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 8.59385776519775, 0.0, 0.0, 0.400000005960464, 5.03658103942871, 0.0, 0.0, 0.0, 1.10829901695251, 0.0, 4.8707537651062, 2.0, 0.0, 0.0, 0.0, 3.67512702941895, 0.389911323785782, 0.0, 0.0, 0.0, 3.11997675895691, 0.0, 0.0, 0.499897450208664, 0.0, 0.0, 0.0, 1.0, -0.27748766541481, 0.0, 1.42437958717346, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H5N3O3S%2Fc8-7-9-4%283-14-7%295-1-2-6%2813-5%2910%2811%2912%2Fh1-3H%2C%28H2%2C8%2C9%29, 0.0, 2.28916168212891 2.28916168212891, 1.74958980083466, -0.0371492840349674, 1.0, 0.0, 0.0, 2.90863704681396 2.90863704681396, 0.952015101909637, 0.132507562637329, 0.0, 0.0, 3.23302745819092 3.23302745819092, -0.112590871751308, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 72.0, 181.0, 0.765248000621796 0.765248000621796, 0.0, 0.5, 0.0, 0.0, 1.03887152671814 1.03887152671814, 0.0, 0.666666686534882, 1.0, 10.5155553817749, 0.0, 0.0, 0.891359627246857 0.891359627246857, 0.0, 4.24489784240723, 0.235702261328697, 0.0, 0.0, 0.0, 2.34319519996643, 0.321975260972977, 0.159020692110062, 0.0, 0.0, 0.435857951641083, 7.83586072921753, 0.159856364130974, 4.8716835975647, 0.137766435742378, , 2.52506470680237, 0.413168996572495, 0.0, 3.80042028427124, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.74217414855957, 0.0, 0.0328403674066067, 0.0, 1.9956511259079, 0.0, 0.0, 0.0, 1.02717709541321, 0.0, 0.0, 0.0, 0.0, 0.581731975078583, 0.0, , 0.0, 0.307600766420364, 0.0, 0.5, 0.0, 0.0, 0.0, 0.142857149243355, 23.5311241149902, 0.0, 0.0, 20.775426864624, 0.0, 0.0, 310.0, 0.0, 801.843811035156, 1.0, 0.0, 30.74365234375, 0.0, 928.041931152344, 0.0, 0.0, 21.5993919372559, 0.0, 0.0, 0.0, 0.0, 0.0, 1258.33752441406, 20.5513858795166, 4.80735492706299, 16.0, 872.698608398438, 0.0, 302.070007324219, 0.0, 741.372985839844, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.200000002980232, 4.0, 0.0, 10.1293916702271, 0.0, 0.0, 0.5, 6.66470384597778, 0.0, 1.0, 0.0, 1.12200844287872, 0.0, 6.25553274154663, 1.0, 0.0, 1.31037068367004, 0.0, 4.85859775543213, 0.25, 5.69378614425659, 0.0, 0.0, 3.76564860343933, 2.0, 0.0, 0.354995012283325, 0.0, 0.0, 1.0, 2.0, -0.179683208465576, 0.0, 2.46063017845154, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H11NO%2Fc1-6-5-7%2810-2%293-4-8%286%299%2Fh3-5H%2C9H2%2C1-2H3, 0.0, 1.5738000869751 1.5738000869751, 0.786590874195099, 0.00447640102356672, 0.0, 1.0, 0.0, 1.63432478904724 1.63432478904724, 0.232307806611061, -0.000457373913377523, 0.0, 0.0, 2.11185693740845 2.11185693740845, -0.0410887002944946, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 46.0, 88.0, 0.559739589691162 0.559739589691162, 0.0, 0.0, 0.0, 0.0, 0.490197271108627 0.490197271108627, 0.0, 0.0, 0.0, 8.10000038146973, 0.0, 0.0, 0.502622425556183 0.502622425556183, 0.0, 3.40828394889832, 0.0, 0.0, 0.0, 0.0, 1.99111115932465, 0.0680413842201233, 0.0, 0.0, 0.0, 0.184195280075073, 6.21764945983887, 0.0240562614053488, 3.1390814781189, 0.0477660782635212, , 1.65096366405487, 0.295712292194366, 1.0, 2.22251844406128, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.4769674539566, 0.0, 0.0481125228106976, 0.0, 0.775159418582916, 2.0, 0.0, 0.0, 0.479032725095749, 0.0, 0.0, 0.0, 0.0, 0.183215394616127, 0.0, 35.25, 0.0, 0.0505410879850388, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.1344566345215, 1.0, 0.0, 10.8303689956665, 0.0, 0.0, 117.0, 0.200000002980232, 493.006164550781, 0.0, 0.0, 13.9965543746948, 1.94416129589081, 535.625183105469, 0.0, 0.0, 13.1627397537231, 0.0, 0.0, 0.0, 0.0, 2.40685200691223, 676.755126953125, 6.8303689956665, 4.32192802429199, 12.0, 562.710083007812, 0.0, 351.019989013672, 0.0, 251.54670715332, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 7.56047773361206, 0.0, 0.0, 0.5, 4.73638200759888, 0.0, 0.0, 0.0, 0.675528645515442, 0.0, 4.04189395904541, 0.0, 0.0, 1.65096366405487, 0.0, 3.28412985801697, 0.16666667163372, 5.85380077362061, 0.0, 0.0, 2.02984499931335, 3.0, 0.0, 0.197909101843834, 0.0, 0.0, 0.0, 0.0, -0.102171890437603, 0.0, 1.56730246543884, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H14ClN5%2Fc1-4-10-7-12-6%289%2913-8%2814-7%2911-5%282%293%2Fh5H%2C4H2%2C1-3H3%2C%28H2%2C10%2C11%2C12%2C13%2C14%29, 0.0, 1.30262875556946 1.30262875556946, 1.70418262481689, 0.359437346458435, 1.0, 0.0, 1.0, 2.45553708076477 2.45553708076477, 0.670489072799683, -0.39618182182312, 0.0, 0.0, 2.7310836315155 2.7310836315155, 0.28693875670433, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 64.0, 166.0, 0.485017627477646 0.485017627477646, 0.0, 0.0, 0.0, 0.0, 0.697168111801147 0.697168111801147, 0.0, 0.0, 0.0, 12.0714282989502, 0.0, 0.0, 0.655602872371674 0.655602872371674, 0.0, 5.77777767181396, 0.0, 0.0, 0.0, 0.0, 4.3878116607666, 0.0680413842201233, 0.0, 0.0, 0.0, 0.164266422390938, 9.39012813568115, 0.0180421955883503, 5.11545133590698, 0.0365953594446182, , 2.38110160827637, 0.533665716648102, 0.0, 3.60706901550293, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.68543088436127, 0.0, 0.0, 0.0, 1.23819923400879, 3.0, 0.0, 0.0, 0.682373344898224, 0.0, 0.0, 0.0, 0.0, 0.463609933853149, 0.0, , 0.0, 0.144208952784538, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.5126934051514, 0.0, 0.0, 17.6135902404785, 0.0, 0.0, 319.0, 0.595275402069092, 820.031860351562, 2.0, 0.0, 25.9030170440674, 0.819827675819397, 895.083557128906, 0.0, 0.0, 21.7315120697021, 0.0, 0.0, 0.0, 0.0, 3.46729731559753, 1123.84509277344, 25.4038944244385, 4.80735492706299, 16.0, 1023.17156982422, 0.0, 718.059997558594, 0.0, 886.213745117188, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 4.0612621307373, 0.0, 0.0, 0.0, 1.0, 0.0, 10.5520420074463, 0.0, 0.0, 0.5, 6.61339235305786, 0.0, 3.0, 0.0, 1.10517168045044, 2.0, 5.96255350112915, 2.0, 0.0, 0.0, 0.0, 3.63973236083984, 0.0, 1.07456994056702, 0.0, 0.0, 3.40121817588806, 0.0, 0.0, 0.360783010721207, 0.0, 0.0, 0.0, 0.0, -0.337742358446121, 0.0, 2.16166663169861, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H12N2O3%2Fc1-8%282%297-5%289%293-4-6%2810%2911%2Fh3-4H2%2C1-2H3%2C%28H%2C7%2C9%29%28H%2C10%2C11%29, 0.0, 0.89516818523407 0.89516818523407, 0.272165536880493, -0.0191472489386797, 2.0, 0.0, 0.0, 1.13807117938995 1.13807117938995, 0.272165536880493, 0.0491924658417702, 0.0, 0.0, 1.10848152637482 1.10848152637482, -0.226598292589188, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 44.0, 109.0, 0.227266326546669 0.227266326546669, 0.0, 0.814325273036957, 0.0, 0.0, 0.248860046267509 0.248860046267509, 0.0, 0.0, 0.0, 11.0, 0.0, 0.0, 0.179323434829712 0.179323434829712, 0.0, 5.625, 0.0, 0.0, 0.0, 0.0, 7.90123462677002, 0.0, 0.0, 2.0, 0.0, 0.0, 6.61131620407104, 0.0, 3.17647862434387, 0.0, , 0.333333343267441, 0.335260391235352, 0.0, 2.25717997550964, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.877904295921326, 0.0, 0.0, 0.0, 0.499600201845169, 2.0, 0.0, 0.0, 0.220643550157547, 0.0, 0.0, 0.0, 0.0, 0.0713865458965302, 0.0, 73.129997253418, 0.0, 0.0427730940282345, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.0433835983276, 0.0, 0.0, 11.8548192977905, 0.0, 0.0, 184.0, 0.5, 397.461730957031, 2.0, 0.0, 14.9889516830444, 0.894427180290222, 398.048126220703, 0.0, 0.0, 10.8821125030518, 0.0, 0.0, 0.0, 0.0, 0.942809045314789, 438.204193115234, 10.9928302764893, 4.45943164825439, 9.0, 345.830230712891, 0.0, 374.049987792969, 0.0, 306.242279052734, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 2.0, 0.0, 8.85337162017822, 0.0, 0.0, 0.428571432828903, 5.01974439620972, 0.0, 0.0, 0.0, 1.10517168045044, 1.0, 4.7059178352356, 0.0, 0.0, 1.0, 0.0, 2.11058974266052, 0.0, 2.82842707633972, 0.0, 0.0, 1.54044008255005, 0.0, 0.0, 0.359595775604248, 0.0, 0.0, 0.0, 1.0, -0.144698187708855, 1.0, 0.872779250144958, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H9N3O3%2Fc1-5-7-4-6%289%2811%2912%298%285%292-3-10%2Fh4%2C10H%2C2-3H2%2C1H3, 0.0, 1.94407677650452 1.94407677650452, 0.977339208126068, -0.0802217423915863, 2.0, 0.0, 0.0, 2.91585254669189 2.91585254669189, 0.250682771205902, 0.165720090270042, 0.0, 0.0, 3.52169752120972 3.52169752120972, -0.0880926698446274, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 56.0, 109.0, 0.610594511032104 0.610594511032104, 0.0, 0.721124768257141, 0.0, 0.0, 0.77232825756073 0.77232825756073, 0.0, 0.0, 0.0, 10.0833330154419, 0.0, 0.0, 0.638434052467346 0.638434052467346, 0.5, 4.296875, 0.0962250456213951, 0.0, 0.0, 0.0, 2.25, 0.219821989536285, 0.0288675129413605, 1.0, 0.0, 0.322104275226593, 6.59691476821899, 0.0621898733079433, 3.43890500068665, 0.0674257501959801, , 0.5, 0.274059772491455, 0.0, 2.29596590995789, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.54469537734985, 0.0, 0.0653902590274811, 0.0, 0.978368282318115, 1.0, 0.0, 0.0, 0.458048462867737, 0.0, 0.0, 0.0, 0.0, 0.147138029336929, 0.0, 83.870002746582, 0.0, 0.0412522330880165, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 15.4033708572388, 0.0, 0.0, 14.4361352920532, 0.0, 0.0, 193.0, 0.0, 459.26708984375, 0.0, 0.0, 19.4878330230713, 0.908560276031494, 516.851135253906, 0.0, 0.0, 18.183126449585, 0.0, 0.0, 0.0, 0.0, 1.15470051765442, 682.207336425781, 16.5980396270752, 4.58496236801147, 15.0, 559.824462890625, 0.0, 309.059997558594, 0.0, 384.848175048828, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.816496610641479, 0.0, 0.0, 9.13782787322998, 0.0, 0.0, 0.5, 5.66390228271484, 0.0, 0.0, 0.0, 0.84120112657547, 0.0, 4.91503524780273, 0.0, 0.0, 1.31037068367004, 0.0, 3.71449995040894, 0.287863373756409, 2.94168281555176, 2.0, 0.0, 2.96512889862061, 1.0, 1.0, 0.329452127218246, 0.0, 0.0, 0.0, 2.0, -0.152269244194031, 0.0, 1.96538686752319, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H8N2O2%2Fc1-4%287%293-6%282%295-8%2Fh3H2%2C1-2H3, , 0.6910440325737 0.6910440325737, 0.0, -0.0354104600846767, 1.0, 0.0, 0.0, 0.902368903160095 0.902368903160095, 0.0, 0.0175745915621519, , 0.0, 0.666666686534882 0.666666686534882, -0.0552095547318459, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 30.0, 54.0, 0.192995429039001 0.192995429039001, 0.0, 0.200000002980232, 0.0, 0.0, 0.221862941980362 0.221862941980362, 0.0, 0.0, 0.0, 8.0, 0.0, 0.0, 0.0813052505254745 0.0813052505254745, 0.0, 3.9375, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.91803073883057, 0.0, 2.203693151474, 0.0, , 0.0, 0.285758912563324, 0.0, 1.59942781925201, 0.0, 0.0, , 0.0, , 0.0, 0.590872824192047, 0.0, 0.0, , 0.35110929608345, 2.0, 0.0, 0.0, 0.0406526252627373, , , , 0.0, 0.0, , 49.7400016784668, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 10.2689142227173, 0.0, , 8.57791614532471, 0.0, , 71.0, 0.25, 232.83464050293, 1.0, 0.0, 9.71620559692383, 1.0, 226.687774658203, 0.0, 0.0, 7.55002069473267, 0.0, 0.0, 0.0, , 1.15470051765442, 239.3955078125, 6.38383531570435, 4.0, 6.0, 161.451797485352, 0.0, 169.039993286133, 0.0, 111.816459655762, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 2.0, 0.0, , , 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 6.56891393661499, , , 0.400000005960464, 3.66390252113342, 0.0, 0.0, 0.0, 0.696923434734344, 1.0, 3.14296913146973, 0.0, 0.0, 0.0, , 1.57069683074951, 0.0, 1.0, 0.0, 0.0, 0.971404492855072, 0.0, 0.0, 0.198614105582237, 0.0, 0.0, 0.0, 2.0, -0.0550663843750954, 1.0, 0.333333343267441, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H16N4O2.HNO2%2Fc1-4-8-7%2812%2911%289-13%296-5-10%282%293%3B2-1-3%2Fh4-6H2%2C1-3H3%2C%28H%2C8%2C12%29%3B%28H%2C2%2C3%29, 0.0, 1.35771071910858 1.35771071910858, 0.813532114028931, 0.140549302101135, 3.0, 0.0, 0.0, 1.60848152637482 1.60848152637482, 0.144337564706802, -0.0649323388934135, 0.0, 0.0, 1.54939234256744 1.54939234256744, -0.080857940018177, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 58.0, -2064771072.0, 0.448965430259705 0.448965430259705, 0.0, 4.24264089815551e-06, 0.0, 0.0, 0.334326267242432 0.334326267242432, 0.0, 0.0, 0.0, 18.3673477172852, 0.0, 0.0, 0.309733420610428 0.309733420610428, 0.333333343267441, 13.0666666030884, 0.0, 0.0, 0.0, 0.0, 13.0, 0.0, 0.0, 2.0, 0.0, 0.0, 9.56831169128418, 0.0, 4.48618602752686, 0.0, , 0.0, 0.431659817695618, 0.0, 2.86405897140503, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.38797616958618, 0.0, 0.0141421351581812, 0.0, 0.695105135440826, 3.0, 0.0, 0.0, 0.382309556007385, 0.0, 0.0, 0.0, 0.0, 0.190034225583076, 0.0, 118.160003662109, 0.0, 0.0474341660737991, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.8978157043457, 0.0, 0.0, 17.515775680542, 0.0, 0.0, 38999998464.0, 0.595275402069092, 550.598815917969, 1.0, 0.0, 18.6257820129395, 2.68779325485229, 558.204833984375, 0.0, 0.0, 17.1003665924072, 0.0, 0.0, 0.0, 0.0, 0.711378633975983, 622.761901855469, 16.6813106536865, 5.0, 14.0, 577.010620117188, 0.0, 721.090026855469, 0.0, 493.133087158203, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 2.0800837319257e-06, 0.0, 0.0, 0.00324445124715567, 0.0, 0.0, 12.9746913909912, 0.0, 0.0, 0.999000012874603, 7.52680444717407, 0.0, 0.0, 0.0, 0.810617208480835, 3.0, 5.61259078979492, 0.0, 0.0, 1.10520946979523, 0.0, 3.18793988227844, 0.117851130664349, 1.31037068367004, 0.0, 0.0, 2.12946438789368, 0.0, 0.0, 0.340104162693024, 0.0, 0.0, 0.0, 2.0, -0.251704394817352, 2.0, 1.14715659618378, 0.0, 0.0, 0.0
InChI%3D1S%2FC14H9NO2%2Fc15-8-5-6-11-12%287-8%2914%2817%2910-4-2-1-3-9%2810%2913%2811%2916%2Fh1-7H%2C15H2, 0.0, 3.28457951545715 3.28457951545715, 3.33814358711243, -0.015983235090971, 0.0, 0.0, 0.0, 5.63991785049438 5.63991785049438, 2.21820974349976, -0.0367313884198666, 0.0, 0.0, 9.08463096618652 9.08463096618652, -0.139660775661469, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 94.0, 224.0, 1.05785858631134 1.05785858631134, 0.0, 0.200000002980232, 0.0, 0.0, 1.49037802219391 1.49037802219391, 0.0, 0.0, 0.0, 12.055401802063, 0.0, 0.0, 1.90745329856873 1.90745329856873, 0.0, 4.59183692932129, 0.0, 0.0, 0.0, 0.0, 1.96000003814697, 0.188411757349968, 0.0, 0.0, 0.0, 0.421664476394653, 8.93529891967773, 0.0674590393900871, 5.26230764389038, 0.114565081894398, , 10.4148330688477, 0.486962258815765, 1.0, 4.00885343551636, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.94919228553772, 0.0, 0.100592233240604, 0.0, 2.11701822280884, 0.0, 0.0, 0.0, 1.51151514053345, 0.0, 0.0, 0.0, 0.0, 0.826553225517273, 0.0, 60.1599998474121, 0.0, 0.472833603620529, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.9089260101318, 4.0, 0.0, 19.8303699493408, 0.0, 0.0, 452.0, 0.0, 1161.82775878906, 2.0, 0.0, 29.660737991333, 0.0, 1406.08703613281, 0.0, 0.0, 33.9891052246094, 0.0, 0.0, 0.0, 0.0, 0.0, 2061.103515625, 29.6532897949219, 5.08746290206909, 31.0, 2140.14892578125, 0.0, 512.030029296875, 0.0, 1607.01538085938, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 8.0, 0.0, 11.9911994934082, 0.0, 0.0, 0.5, 8.18154048919678, 0.0, 0.0, 0.0, 1.21790635585785, 0.0, 7.57633304595947, 0.0, 0.0, 6.63059282302856, 0.0, 6.79351997375488, 0.425380796194077, 17.832727432251, 0.0, 0.0, 5.83452558517456, 7.0, 0.0, 0.267440468072891, 0.0, 0.0, 0.0, 2.0, -0.0457415208220482, 0.0, 5.05256223678589, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H8N2OS%2Fc7-5-6-1-3-8-4-2-6%2Fh1-4H2, , 0.492799282073975 0.492799282073975, 0.348461717367172, -0.00900765787810087, 4.0, 0.0, 0.0, 0.594861328601837 0.594861328601837, 0.144337564706802, 0.0120705673471093, , 0.0, 0.492799282073975 0.492799282073975, -0.0241726636886597, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 34.0, 60.0, 0.182246178388596 0.182246178388596, , 0.0, 0.0, 0.0, 0.280940115451813 0.280940115451813, 0.0, 0.0, 1.0, 6.125, 0.0, 0.0, 0.315659642219543 0.315659642219543, 0.0, 3.11111116409302, 0.0, 0.0, 0.0, 0.0, 1.79999995231628, 0.102062076330185, 0.0, 0.0, 0.0, 0.0721687823534012, 5.35584735870361, 0.136930644512177, 3.7470805644989, 0.0612372420728207, , 0.0, 0.100000001490116, 0.0, 2.87243008613586, 0.0, 0.0, , 0.0, , 0.0, 2.04544568061829, 0.0, 0.0, , 1.51918494701385, 0.0, 0.0, 0.0, 1.09478890895844, , , , 0.0, 0.193185165524483, , 57.9700012207031, 0.0, 0.0500000007450581, , 0.0, 0.0, 0.0, , 0.0, 15.6221981048584, 0.0, , 12.585394859314, 0.0, , 64.0, 0.0, 418.847747802734, 0.0, 0.0, 13.5577774047852, 0.0, 436.269897460938, 0.0, 0.0, 10.1100187301636, 0.0, 0.0, 0.0, , 0.0, 484.657897949219, 5.77764797210693, 4.0, 7.0, 328.240112304688, 0.0, 200.039993286133, 0.0, 97.3266677856445, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 5.81999111175537, , , 0.400000005960464, 3.9318516254425, 0.0, 0.0, 0.0, 0.20412415266037, 1.0, 2.91228413581848, 0.0, 0.0, 3.30192732810974, , 2.30209517478943, 0.0, 0.0, 0.0, 0.0, 1.59538793563843, 0.0, 0.0, 0.0928518250584602, 0.0, 0.0, 0.0, 1.0, -0.0431623421609402, 1.0, 1.10517168045044, 0.0, 0.0, 0.0
InChI%3D1S%2FC11H7N3O3%2Fc15-14%2816%2911-5-4-9%2817-11%298-7-12-10-3-1-2-6-13%288%2910%2Fh1-7H, 0.0, 2.82367992401123 2.82367992401123, 2.89882826805115, -0.0704851001501083, 0.0, 0.0, 0.0, 4.23187971115112 4.23187971115112, 1.97235119342804, 0.164999753236771, 0.0, 0.0, 5.29344415664673 5.29344415664673, -0.0837858393788338, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 92.0, 260.0, 0.724245607852936 0.724245607852936, 0.0, 0.5, 0.0, 0.0, 0.964957296848297 0.964957296848297, 0.0, 0.666666686534882, 0.0, 12.055401802063, 0.0, 0.0, 0.964431703090668 0.964431703090668, 0.200000002980232, 4.93827152252197, 0.214076176285744, 0.0, 0.0, 0.0, 2.29072308540344, 0.411054402589798, 0.0628882050514221, 0.0, 0.0, 0.671273171901703, 8.60783767700195, 0.104837149381638, 4.92225551605225, 0.120751820504665, , 2.52506470680237, 0.335732460021973, 0.0, 3.46727204322815, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.44121479988098, 1.0, 0.0592991858720779, 0.0, 1.67827200889587, 0.0, 0.0, 0.0, 0.99939888715744, 0.0, 0.0, 0.0, 0.0, 0.550380885601044, 0.0, 76.2600021362305, 0.0, 0.30786919593811, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.4033718109131, 0.0, 0.0, 21.7682266235352, 0.0, 0.0, 510.0, 0.0, 926.654541015625, 0.0, 0.0, 31.5116806030273, 0.0, 1110.23303222656, 0.0, 0.0, 28.2619762420654, 0.0, 0.0, 0.0, 0.0, 0.0, 1585.07202148438, 24.3769435882568, 5.08746290206909, 24.0, 1339.57861328125, 0.0, 404.059997558594, 0.0, 1113.43127441406, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.577350258827209, 7.0, 0.0, 11.8280630111694, 0.0, 0.0, 0.444444447755814, 8.25401973724365, 0.0, 0.0, 0.0, 1.10549890995026, 0.0, 7.52682495117188, 0.0, 0.0, 6.86643552780151, 0.0, 6.45066022872925, 0.358304977416992, 10.1808624267578, 1.0, 0.0, 5.41139984130859, 7.0, 1.0, 0.404474496841431, 0.0, 0.0, 1.0, 2.0, -0.208380743861198, 0.0, 4.00326442718506, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H12N2O%2Fc1-6-4-2-3-5-8%286%297-9%2Fh6H%2C2-5H2%2C1H3%2Ft6-%2Fm0%2Fs1, , 1.06903564929962 1.06903564929962, 0.469913214445114, 0.0252738296985626, 4.0, 0.0, , 1.40829122066498 1.40829122066498, 0.176776692271233, -0.0169413592666388, , , 1.30473780632019 1.30473780632019, -0.00701768137514591, , 0.0, 0.666666686534882, , , , 40.0, 67.0, 0.570301592350006 0.570301592350006, , 0.0, , 0.0, 0.625612914562225 0.625612914562225, 0.0, 0.0, , 7.11111116409302, 0.0, , 0.617442071437836 0.617442071437836, 0.0, 3.23966932296753, 0.0, 0.0, , 0.0, 1.70414197444916, 0.0833333358168602, 0.0, 0.0, 0.0, 0.142258897423744, 5.7084527015686, 0.0645497217774391, 3.44259929656982, 0.0934172347187996, , 0.0, 0.264223843812943, 0.0, 2.58952522277832, 0.0, 0.0, , 0.0, , 0.0, 1.87278091907501, 0.0, 0.0577350258827209, , 1.20425724983215, 1.0, 0.0, , 0.766185581684113, , , , 0.0, 0.223913550376892, , 32.6699981689453, 0.0, 0.0524377413094044, , 0.0, 0.0, 0.0, , 0.0, 10.4944448471069, 0.0, , 10.2458248138428, 0.0, , 86.0, 0.0, 398.915283203125, 0.0, 0.0, 12.3843927383423, 1.3731781244278, 430.057098388672, 0.0, 0.0, 11.3289251327515, 0.0, 0.0, , , 1.0, 518.270385742188, 6.16246128082275, 4.16992521286011, 10.0, 402.396820068359, , 369.029998779297, 0.0, 145.331512451172, 0.0, , , 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 2.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 4.0, , 6.69023466110229, , , 0.400000005960464, 4.3425350189209, 0.0, 0.0, 0.0, 0.402368932962418, 1.0, 3.43006896972656, 1.0, 0.0, 3.96540641784668, , 2.81349611282349, 0.117851130664349, 2.14913988113403, 0.0, , 1.99955224990845, 0.0, 0.0, 0.0560911558568478, 0.0, 0.0, 0.0, 1.0, -0.0289624854922295, 1.0, 1.20977282524109, , , 0.0
InChI%3D1S%2FC12H10Cl2N2%2Fc13-9-5-7%281-3-11%289%2915%298-2-4-12%2816%2910%2814%296-8%2Fh1-6H%2C15-16H2, 0.0, 3.11453151702881 3.11453151702881, 2.18593811988831, -0.0716841965913773, 0.0, 0.0, 2.0, 3.48781371116638 3.48781371116638, 1.32471287250519, 0.0310735199600458, 0.0, 0.0, 4.9586329460144 4.9586329460144, 0.00676789786666632, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 82.0, 230.0, 1.29506874084473 1.29506874084473, 0.0, 0.0, 0.0, 0.0, 1.27869057655334 1.27869057655334, 0.0, 0.0, 0.0, 12.4567470550537, 0.0, 0.0, 1.53364551067352 1.53364551067352, 0.0, 5.10416650772095, 0.0, 0.0, 0.0, 0.0, 2.83111119270325, 0.136082768440247, 0.0, 0.0, 0.0, 0.350732952356339, 9.88658905029297, 0.0481125228106976, 5.43731164932251, 0.106388509273529, , 5.26933193206787, 0.660660147666931, 2.0, 4.28698444366455, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.98888921737671, 0.0, 0.136886715888977, 0.0, 1.7744802236557, 0.0, 0.0, 0.0, 1.23432004451752, 0.0, 0.0, 0.0, 0.0, 0.65843939781189, 0.0, 52.0400009155273, 0.111111111938953, 0.351151168346405, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 32.1454849243164, 2.0, 0.0, 21.2358455657959, 0.0, 0.0, 440.0, 0.0, 1160.93017578125, 0.0, 0.0, 32.4716911315918, 0.0, 1333.83264160156, 0.0, 0.0, 37.3562355041504, 0.0, 0.0, 0.0, 0.0, 0.0, 1811.68762207031, 24.1393203735352, 5.0, 24.0, 1717.30029296875, 0.0, 489.040008544922, 0.0, 1185.3466796875, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 11.7067422866821, 0.0, 0.0, 0.444444447755814, 7.57538747787476, 0.0, 0.0, 0.0, 1.27614235877991, 0.0, 7.05539989471436, 0.0, 0.0, 5.46963167190552, 0.0, 5.94414329528809, 0.416666656732559, 15.0080585479736, 0.0, 0.0, 4.03467750549316, 6.0, 0.0, 0.147421211004257, 0.0, 0.0, 0.0, 0.0, -0.0306154899299145, 0.0, 3.39886808395386, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H, , 0.0 0.0, 0.0, 0.0, 0.0, , , 0.0 0.0, 0.0, 0.0, , , 0.0 0.0, 0.0, , 0.0, 0.0, , , , 24.0, 36.0, 0.0 0.0, , 0.0, , 0.0, 0.0 0.0, 0.0, 0.0, , 4.16666650772095, 0.0, , 0.0 0.0, 0.0, 2.22222232818604, 0.0, 0.0, , 0.0, 1.33333337306976, 0.125, 0.0, , 0.0, 0.0, 3.46410155296326, 0.0370370373129845, 2.0, 0.0, , 0.0, 0.0, 0.0, 1.15470051765442, 0.0, 0.0, , 0.0, , 0.0, 0.666666686534882, 0.0, 0.0, , 0.38490018248558, 0.0, 0.0, , 0.222222223877907, , , , 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 6.0, 0.0, , 6.0, 0.0, , 27.0, 0.0, 233.878387451172, 0.0, 0.0, 6.0, 0.0, 233.878387451172, 0.0, 0.0, 3.0, 0.0, , , , 0.0, 233.878387451172, 0.0, 3.58496260643005, 3.0, 116.939193725586, , 114.0, 0.0, 0.0, 0.0, , , 0.0, , 0.0, 0.0, , 0.0, , , 0.0, 0.0, , , 0.0, 0.0, , , 0.0, 0.0, , 0.0, 6.0, , 4.24264049530029, , , 0.0, 3.0, 0.0, 0.0, , 0.0, , 2.12132024765015, 0.0, 0.0, 9.12546539306641, , 1.5, 0.0, 0.0, , , 1.06066012382507, 6.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.75, , , 0.0
InChI%3D1S%2FC11H11N5%2Fc1-6-5-13-7-3-4-8-10%289%287%2914-6%2915-11%2812%2916%288%292%2Fh3-5H%2C1-2H3%2C%28H2%2C12%2C15%29, 0.0, 3.26379370689392 3.26379370689392, 3.23006272315979, 0.0178938657045364, 0.0, 0.0, 0.0, 5.12007713317871 5.12007713317871, 2.27184391021729, 0.0129314642399549, 0.0, 0.0, 7.59804582595825 7.59804582595825, 0.0271307341754436, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 90.0, 197.0, 1.09627652168274 1.09627652168274, 0.0, 0.0, 0.0, 0.0, 1.42181015014648 1.42181015014648, 0.0, 0.0, 0.0, 11.1111106872559, 0.0, 0.0, 1.67777323722839 1.67777323722839, 0.0, 4.03292179107666, 0.0785674229264259, 0.0, 0.0, 0.0, 1.76454293727875, 0.381648242473602, 0.0279508493840694, 0.0, 0.0, 0.715386986732483, 9.07369136810303, 0.107306219637394, 5.02280521392822, 0.158119574189186, , 6.63197565078735, 0.544305682182312, 0.0, 3.87142848968506, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.75342798233032, 2.0, 0.104772321879864, 0.0, 1.88050019741058, 2.0, 0.0, 0.0, 1.29223620891571, 0.0, 0.0, 0.0, 0.0, 0.734294235706329, 0.0, 64.9000015258789, 0.0, 0.419887095689774, 0.0, 0.766309440135956, 0.0, 0.0, 0.0, 0.5, 17.7999401092529, 0.0, 0.0, 19.6618518829346, 0.0, 0.0, 390.0, 0.142857149243355, 1097.794921875, 1.0, 0.0, 29.9080028533936, 1.44903707504272, 1326.95532226562, 0.0, 0.0, 29.8803844451904, 0.0, 0.0, 0.0, 0.0, 3.57098054885864, 1971.12048339844, 22.0494575500488, 5.0, 27.0, 1862.20043945312, 0.0, 601.049987792969, 0.0, 1333.93005371094, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.908560276031494, 0.0, 0.0, 0.877205312252045, 7.0, 0.0, 11.2840929031372, 0.0, 0.0, 0.428571432828903, 7.66470384597778, 0.0, 1.0, 0.0, 1.29174244403839, 0.0, 7.31932067871094, 0.0, 0.0, 1.31037068367004, 0.0, 6.49783277511597, 0.393802672624588, 6.98857831954956, 2.0, 0.0, 5.37681531906128, 3.0, 0.0, 0.292482435703278, 0.0, 0.0, 0.0, 0.0, -0.197185978293419, 1.0, 4.59739637374878, 0.0, 0.0, 0.0
InChI%3D1S%2FC10H14N5O4%2Fc1-5-3-15%2810%2818%2912-9%285%2917%298-2-6%2813-14-11%297%284-16%2919-8%2Fh3%2C6-8%2C11%2C16H%2C2%2C4H2%2C1H3%2C%28H%2C12%2C17%2C18%29%2Ft6-%2C7%3F%2C8%2B%2Fm0%2Fs1, 0.0, 3.3739595413208 3.3739595413208, 2.82198524475098, 0.203167974948883, 3.0, 1.0, 0.0, 4.89469480514526 4.89469480514526, 1.7262749671936, -0.339571058750153, 0.0, 0.0, 6.84427261352539 6.84427261352539, 0.292411744594574, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 96.0, 297.0, 1.45425498485565 1.45425498485565, 0.0, 0.474957138299942, 0.0, 0.0, 1.73683166503906 1.73683166503906, 0.0, 0.721124768257141, 0.0, 15.3900003433228, 0.0, 0.0, 1.97303116321564 1.97303116321564, 0.0, 6.63520431518555, 0.0962250456213951, 0.0, 0.0, 0.0, 3.36596059799194, 0.247193872928619, 0.0555555559694767, 2.0, 0.0, 0.512934267520905, 10.3205289840698, 0.115326426923275, 6.0381007194519, 0.175484985113144, , 5.18607664108276, 0.723338425159454, 0.0, 4.82135581970215, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.52213859558105, 0.0, 0.128119871020317, 0.0, 2.35694074630737, 1.0, 0.0, 0.0, 1.54416394233704, 0.0, 0.0, 0.0, 0.0, 0.870415389537811, 0.0, 94.3899993896484, 0.0, 0.480174958705902, 0.0, 1.19055080413818, 0.0, 0.0, 0.0, 0.16666667163372, 23.8978157043457, 1.0, 0.0, 23.3775482177734, 0.0, 0.0, 701.0, 0.0, 1031.94458007812, 1.0, 0.0, 33.5914115905762, 0.727928221225739, 1212.46374511719, 0.0, 0.0, 35.3109855651855, 0.0, 0.0, 0.0, 0.0, 1.85314404964447, 1704.67736816406, 32.7803611755371, 5.24792766571045, 29.0, 1620.72717285156, 0.0, 1027.08996582031, 0.0, 1349.833984375, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 5.0, 0.0, 0.0, 0.0, 0.863054394721985, 0.0, 0.0, 0.877205312252045, 3.0, 0.0, 13.9911994934082, 0.0, 0.0, 0.5, 9.06208038330078, 0.0, 1.0, 0.0, 1.34318959712982, 1.0, 8.0156774520874, 5.0, 0.0, 0.843432664871216, 0.0, 6.75683355331421, 0.414266437292099, 7.08683633804321, 0.0, 0.0, 5.37730884552002, 0.0, 0.0, 0.639687299728394, 0.0, 0.0, 0.0, 1.0, -0.366695046424866, 1.0, 4.12649345397949, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H7Cl2NO3%2Fc13-8-1-6-12%2811%2814%297-8%2918-10-4-2-9%283-5-10%2915%2816%2917%2Fh1-7H, 0.0, 2.78576731681824 2.78576731681824, 2.30855226516724, -0.0794994905591011, 0.0, 1.0, 2.0, 3.45401000976562 3.45401000976562, 1.36995851993561, 0.0107247615233064, 0.0, 0.0, 4.3356409072876 4.3356409072876, -0.103382162749767, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 0.0, 90.0, 316.0, 0.91360330581665 0.91360330581665, 0.0, 0.5, 0.0, 0.0, 1.06673061847687 1.06673061847687, 0.0, 0.333333343267441, 0.0, 14.4099721908569, 0.0, 0.0, 1.11805987358093 1.11805987358093, 0.0, 6.43787002563477, 0.0, 0.0, 0.0, 0.0, 3.99583768844604, 0.151374712586403, 0.0, 0.0, 0.0, 0.291233360767365, 10.4811973571777, 0.0518340393900871, 5.69029808044434, 0.0881382301449776, , 3.08133912086487, 0.591416001319885, 0.0, 4.27145290374756, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.69974112510681, 0.0, 0.0509984381496906, 0.0, 1.76791286468506, 0.0, 0.0, 0.0, 1.06872153282166, 0.0, 0.0, 0.0, 0.0, 0.533206284046173, 0.0, 55.0499992370605, 0.0, 0.22688926756382, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 36.1089019775391, 0.0, 0.0, 24.8407764434814, 0.0, 0.0, 667.0, 0.0, 1047.96740722656, 0.0, 0.0, 36.9063415527344, 0.0, 1191.30029296875, 0.0, 0.0, 38.7280426025391, 0.0, 0.0, 0.0, 0.0, 0.0, 1572.40515136719, 34.7267036437988, 5.16992521286011, 25.0, 1460.42578125, 0.0, 370.059997558594, 0.0, 1075.4404296875, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0, 0.0, 13.1209554672241, 0.0, 0.0, 0.454545468091965, 8.55855083465576, 0.0, 0.0, 0.0, 1.39516818523407, 0.0, 7.91611242294312, 0.0, 0.0, 6.39426708221436, 0.0, 6.07945203781128, 0.284517794847488, 13.0106897354126, 0.0, 0.0, 4.59700202941895, 7.0, 0.0, 0.315886288881302, 0.0, 0.0, 0.0, 2.0, -0.0732816904783249, 0.0, 3.56158638000488, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H4N4O3S%2Fc7-6-9-8-5%2814-6%293-1-2-4%2813-3%2910%2811%2912%2Fh1-2H%2C%28H2%2C7%2C9%29, 0.0, 2.28916168212891 2.28916168212891, 1.74958980083466, -0.0940616503357887, 0.0, 0.0, 0.0, 2.90863704681396 2.90863704681396, 0.952015101909637, 0.200155526399612, 0.0, 0.0, 3.23302745819092 3.23302745819092, -0.149902477860451, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 72.0, 181.0, 0.843146443367004 0.843146443367004, 0.0, 0.5, 0.0, 0.0, 1.00929236412048 1.00929236412048, 0.0, 0.666666686534882, 1.0, 10.5155553817749, 0.0, 0.0, 0.88441014289856 0.88441014289856, 0.0, 4.24489784240723, 0.235702261328697, 0.0, 0.0, 0.0, 2.34319519996643, 0.321975260972977, 0.122409038245678, 0.0, 0.0, 0.435857951641083, 7.62875413894653, 0.123244717717171, 4.55451631546021, 0.120738692581654, , 2.52506470680237, 0.487883627414703, 0.0, 3.64481949806213, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.52707648277283, 0.0, 0.0504507720470428, 0.0, 1.73256599903107, 0.0, 0.0, 0.0, 0.890213429927826, 0.0, 0.0, 0.0, 0.0, 0.497245490550995, 0.0, , 0.0, 0.238484591245651, 0.0, 0.816496610641479, 0.0, 0.0, 0.0, 0.142857149243355, 23.89111328125, 0.0, 0.0, 21.1354160308838, 0.0, 0.0, 310.0, 0.0, 806.787658691406, 1.0, 0.0, 33.0233001708984, 0.0, 940.199157714844, 0.0, 0.0, 24.183687210083, 0.0, 0.0, 0.0, 0.0, 0.0, 1273.8134765625, 20.3844223022461, 4.80735492706299, 16.0, 884.077758789062, 0.0, 259.079986572266, 0.0, 739.492919921875, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.365148365497589, 3.0, 0.0, 10.1293916702271, 0.0, 0.0, 0.5, 6.66470384597778, 0.0, 2.0, 0.0, 1.12200844287872, 0.0, 6.25553274154663, 1.0, 0.0, 1.0, 0.0, 4.85859775543213, 0.25, 3.69772696495056, 0.0, 0.0, 3.76564860343933, 2.0, 0.0, 0.360232084989548, 0.0, 0.0, 1.0, 2.0, -0.161643043160439, 0.0, 2.46063017845154, 0.0, 0.0, 0.0
InChI%3D1S%2FC5H11N3O2%2Fc1-4%282%293-8%287-10%295%286%299%2Fh4H%2C3H2%2C1-2H3%2C%28H2%2C6%2C9%29, , 1.30333185195923 1.30333185195923, 0.0, 0.091986671090126, 1.0, 0.0, 0.0, 1.48899304866791 1.48899304866791, 0.0, -0.0836131647229195, , 0.0, 1.64746475219727 1.64746475219727, 0.0268922243267298, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 40.0, 72.0, 0.376960664987564 0.376960664987564, 0.0, 0.25, 0.0, 0.0, 0.366807729005814 0.366807729005814, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.327708035707474 0.327708035707474, 0.0, 4.76033067703247, 0.0, 0.0, 0.0, 0.0, 4.48000001907349, 0.0, 0.0, 1.0, 0.0, 0.0, 6.03434610366821, 0.0, 2.95896434783936, 0.0, , 0.333333343267441, 0.528958976268768, 0.0, 2.38121271133423, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.88113397359848, 0.0, 0.0158113874495029, 0.0, 0.504345059394836, 2.0, 0.0, 0.0, 0.239603415131569, 0.0, 0.0, , 0.0, 0.0, 0.0, 76.75, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.5, 12.6289024353027, 1.0, 0.0, 10.744101524353, 0.0, 0.0, 127.0, 0.5, 370.547027587891, 1.0, 0.0, 13.5189418792725, 1.0, 377.6416015625, 0.0, 0.0, 12.5744714736938, 0.0, 0.0, 0.0, 0.0, 2.0, 427.261840820312, 11.4906749725342, 4.32192802429199, 10.0, 349.820404052734, 0.0, 310.049987792969, 0.0, 266.973541259766, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 3.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 8.14626407623291, 0.0, , 0.400000005960464, 4.57458591461182, 0.0, 0.0, 0.0, 0.90824830532074, 1.0, 4.04189395904541, 1.0, 0.0, 0.0, 0.0, 2.24134039878845, 0.16666667163372, 1.41421353816986, 0.0, 0.0, 1.5157356262207, 0.0, 0.0, 0.157751485705376, 0.0, 0.0, 0.0, 1.0, -0.112928420305252, 1.0, 0.877664387226105, 0.0, 0.0, 0.0
InChI%3D1S%2FC16H12ClNO2%2Fc1-2-16%2820-15%2818%2919%2C12-6-4-3-5-7-12%2913-8-10-14%2817%2911-9-13%2Fh1%2C3-11H%2C%28H2%2C18%2C19%29, 0.0, 3.31168484687805 3.31168484687805, 2.56053900718689, 0.11881348490715, 0.0, 1.0, 1.0, 5.94178485870361 5.94178485870361, 1.71453738212585, -0.0208053570240736, 0.0, 0.0, 8.12590408325195 8.12590408325195, -0.00660611875355244, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 100.0, 284.0, 1.21979415416718 1.21979415416718, 0.0, 0.0, 0.0, 0.0, 1.64333522319794 1.64333522319794, 0.0, 0.5, 0.0, 16.3718814849854, 0.0, 0.0, 1.78433132171631 1.78433132171631, 0.0, 7.31985712051392, 0.0, 0.0, 0.0, 0.0, 3.81440448760986, 0.185395404696465, 0.0, 1.0, 1.0, 0.176031038165092, 11.2628583908081, 0.0598527938127518, 6.21952772140503, 0.0614234358072281, , 1.75078201293945, 0.616885542869568, 0.0, 4.54209280014038, 0.0, 2.37841415405273, 0.0, 0.0255155190825462, 0.0, 0.0, 3.13607048988342, 0.0, 0.109708048403263, 0.0, 2.10910487174988, 0.0, 0.0170103460550308, 0.0, 1.41550195217133, 0.0, 0.0, 0.0, 0.0, 0.714063823223114, 0.0, 53.310001373291, 0.0, 0.390917837619781, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 29.6216793060303, 3.0, 0.0, 24.1141986846924, 0.0, 0.0, 747.0, 0.0, 1367.17810058594, 1.0, 0.0, 35.7811508178711, 2.52216148376465, 1596.19555664062, 1.0, 1.0, 38.0622100830078, 0.0, 0.0, 0.0, 0.0, 1.0433896780014, 2233.810546875, 38.7749366760254, 5.32192802429199, 32.0, 2405.55786132812, 0.0, 709.039978027344, 0.5, 2208.69775390625, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 14.5875759124756, 0.0, 0.0, 0.444444447755814, 9.58135223388672, 0.0, 0.0, 0.0, 1.50997591018677, 0.0, 8.47641754150391, 0.0, 0.0833333358168602, 13.8074445724487, 0.0, 6.69366836547852, 0.380039840936661, 13.2383785247803, 0.0, 0.0, 5.66093254089355, 9.0, 0.0, 0.292439550161362, 0.0833333358168602, 4.25141477584839, 0.0, 0.0, -0.226079374551773, 0.0, 4.58608055114746, 0.0, 0.0, 0.0
InChI%3D1S%2FC14H16N2.2ClH%2Fc1-9-7-11%283-5-13%289%2915%2912-4-6-14%2816%2910%282%298-12%3B%3B%2Fh3-8H%2C15-16H2%2C1-2H3%3B2%2A1H, 0.0, 3.11453151702881 3.11453151702881, 2.18593811988831, -0.00833664275705814, 0.0, 0.0, 0.0, 3.48781371116638 3.48781371116638, 1.32471287250519, -0.00101510877721012, 0.0, 0.0, 4.9586329460144 4.9586329460144, 0.00022139296925161, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 82.0, -359738400.0, 1.2087961435318 1.2087961435318, 0.0, 0.0, 0.0, 0.0, 1.19862878322601 1.19862878322601, 0.0, 0.0, 0.0, 18.0, 0.0, 0.0, 1.42745113372803 1.42745113372803, 0.0, 7.55555534362793, 0.0, 0.0, 0.0, 0.0, 4.26666688919067, 0.136082768440247, 0.0, 0.0, 0.0, 0.350732952356339, 12.0682916641235, 0.0481125228106976, 5.30341815948486, 0.0999465584754944, , 5.26933193206787, 0.622008442878723, 2.0, 4.14273452758789, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.87293410301208, 0.0, 0.124002821743488, 0.0, 1.71052324771881, 2.0, 0.0, 0.0, 1.18796277046204, 0.0, 0.0, 0.0, 0.0, 0.627955734729767, 0.0, 52.0400009155273, 0.111111111938953, 0.329027146100998, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 34.1454849243164, 4.0, 0.0, 17.3323707580566, 0.0, 0.0, 32999999488.0, 0.142857149243355, 1093.48876953125, 0.0, 0.0, 24.6647415161133, 3.06523776054382, 1235.54272460938, 0.0, 0.0, 24.9971122741699, 0.0, 0.0, 0.0, 0.0, 3.78969693183899, 1686.6318359375, 16.3323707580566, 5.16992521286011, 24.0, 1607.73693847656, 0.0, 919.039978027344, 0.0, 1106.58752441406, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.0, 0.0, 11.7067422866821, 0.0, 0.0, 0.999000012874603, 7.57538747787476, 0.0, 0.0, 0.0, 1.27614235877991, 0.0, 7.05539989471436, 0.0, 0.0, 5.46963167190552, 0.0, 5.94414329528809, 0.416666656732559, 15.0080585479736, 0.0, 0.0, 4.03467750549316, 6.0, 0.0, 0.0538342781364918, 0.0, 0.0, 0.0, 0.0, -0.0175249241292477, 0.0, 3.39886808395386, 0.0, 0.0, 0.0
InChI%3D1S%2FC5H10N2O2%2Fc1-2-3-7%286-9%294-5-8%2Fh2%2C8H%2C1%2C3-5H2, , 0.492799282073975 0.492799282073975, 0.144337564706802, -0.0140302442014217, 3.0, 0.0, 0.0, 0.679412364959717 0.679412364959717, 0.0, 0.0263093709945679, , 0.0, 0.492799282073975 0.492799282073975, -0.0614690110087395, , 0.0, 1.0, 0.0, 0.0, 0.0, 32.0, 70.0, 0.169270530343056 0.169270530343056, 0.0, 0.200000002980232, 0.0, 0.0, 0.165710180997849 0.165710180997849, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.0767015442252159 0.0767015442252159, 0.0, 6.125, 0.0, 0.0, 0.0, 0.0, 4.5, 0.0, 0.0, 1.0, 0.0, 0.0, 5.15566635131836, 0.0, 2.64775395393372, 0.0, , 0.0, 0.100000001490116, 0.0, 1.5065621137619, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.813432455062866, 0.0, 0.0, , 0.429899424314499, 0.0, 0.0, 0.0, 0.14720219373703, , , , 1.0, 0.0288675129413605, 0.0, 52.9000015258789, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 11.2689142227173, 0.0, 0.0, 9.57791614532471, 0.0, , 102.0, 0.0, 305.950317382812, 0.0, 0.0, 9.5502986907959, 1.59054148197174, 299.064056396484, 0.0, 0.0, 9.71620559692383, 0.0, 0.0, 0.0, , 0.0, 298.774353027344, 8.71592712402344, 4.16992521286011, 8.0, 260.382659912109, 0.0, 252.039993286133, 0.0, 187.0068359375, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 1.0, 0.0, , , 3.0, 0.0, , , 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 7.11288404464722, , , 0.5, 4.34606504440308, 1.0, 0.0, 0.0, 0.20412415266037, 1.0, 2.85162401199341, 0.0, 0.0, 2.94168281555176, , 1.9711971282959, 0.0, 0.0, 0.0, 0.0, 1.3690824508667, 0.0, 0.0, 0.15898697078228, 0.0, 0.0, 0.0, 1.0, -0.0607579573988914, 1.0, 0.696923434734344, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H15N3O7%2Fc1-11%2810-17%298%2816%299-4-6%2814%295%2813%293%282-12%2918-7%284%2915%2Fh3-7%2C12-15H%2C2H2%2C1H3%2C%28H%2C9%2C16%29%2Ft3%3F%2C4%3F%2C5-%2C6-%2C7%2B%2Fm1%2Fs1, 0.0, 3.79314565658569 3.79314565658569, 1.83026850223541, -0.0881898701190948, 1.0, 1.0, 0.0, 5.05947637557983 5.05947637557983, 1.02023696899414, 0.107066117227077, 0.0, 0.0, 6.97622489929199 6.97622489929199, -0.268842995166779, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 86.0, 262.0, 1.08085131645203 1.08085131645203, 0.0, 2.74945116043091, 0.0, 0.0, 1.17842900753021 1.17842900753021, 0.0, 1.62648916244507, 0.0, 16.0555553436279, 0.0, 0.0, 1.32358467578888 1.32358467578888, 0.0, 6.96320009231567, 0.0, 0.0, 0.0, 0.0, 3.75, 0.0453609228134155, 0.0, 5.0, 0.0, 0.200232788920403, 9.48806381225586, 0.0261891391128302, 5.06261777877808, 0.0653670728206635, , 7.27411651611328, 0.560003340244293, 0.0, 3.75380516052246, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.54351806640625, 0.0, 0.105003125965595, 0.0, 1.47526574134827, 1.0, 0.0, 0.0, 0.90363746881485, 0.0, 0.0, 0.0, 0.0, 0.453254640102386, 0.0, 155.410003662109, 0.0, 0.182023003697395, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 24.5012474060059, 0.0, 0.0, 21.9028396606445, 0.0, 0.0, 609.0, 0.0, 812.79541015625, 1.0, 0.0, 31.4484233856201, 0.125, 931.434265136719, 0.0, 0.0, 38.3809204101562, 0.0, 0.0, 0.0, 0.0, 1.33077526092529, 1265.43286132812, 32.5225601196289, 5.16992521286011, 29.0, 1316.37756347656, 0.0, 783.099975585938, 0.0, 1017.76507568359, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 1.41421353816986, 4.0, 0.0, 13.8698787689209, 0.0, 0.0, 0.5, 8.41712093353271, 0.0, 0.0, 0.0, 1.39475643634796, 2.0, 7.36192035675049, 5.0, 0.0, 0.0, 0.0, 6.43738031387329, 0.548795282840729, 2.18224716186523, 0.0, 0.0, 4.25379419326782, 0.0, 0.0, 0.77209061384201, 0.0, 0.0, 0.0, 1.0, -0.314506888389587, 1.0, 3.03847718238831, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H26N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-14%282%2913-15%2Fh3-12H2%2C1-2H3, 0.0, 0.492799282073975 0.492799282073975, 0.827015101909637, 0.0339780114591122, 10.0, 0.0, 0.0, 0.348461717367172 0.348461717367172, 0.522287964820862, -0.0256960652768612, 0.0, 0.0, 0.246399641036987 0.246399641036987, -0.00233474373817444, 0.0, 0.0, 0.857142865657806, 0.0, 0.0, 0.0, 56.0, 277.0, 0.157735019922256 0.157735019922256, 0.0, 0.0, 0.0, 0.0, 0.111535504460335 0.111535504460335, 0.0, 0.0, 0.0, 15.0, 0.0, 0.0, 0.0788675099611282 0.0788675099611282, 0.0, 12.0714282989502, 0.0, 0.0, 0.0, 0.0, 11.928994178772, 0.0, 0.0, 0.0, 0.0, 0.0, 10.373743057251, 0.0, 6.35312223434448, 0.0, , 0.0, 0.141421362757683, 0.0, 4.29133272171021, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.72465872764587, 0.0, 0.0, 0.0, 1.69211292266846, 2.0, 0.0, 0.0, 1.07150459289551, 0.0, 0.0, 0.0, 0.0, 0.669279813766479, 0.0, 32.6699981689453, 0.0, 0.410752266645432, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 16.4944458007812, 0.0, 0.0, 15.2458248138428, 0.0, 0.0, 538.0, 0.0833333358168602, 673.723327636719, 0.0, 0.0, 15.0520219802856, 3.91727495193481, 658.997741699219, 0.0, 0.0, 13.9965543746948, 0.0, 0.0, 0.0, 0.0, 0.0, 647.329223632812, 11.6644620895386, 4.90689039230347, 13.0, 587.957580566406, 0.0, 1390.03002929688, 0.0, 516.498352050781, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 9.0, 0.0, 11.3555250167847, 0.0, 0.0, 0.461538463830948, 7.30806064605713, 0.0, 0.0, 0.0, 0.288675129413605, 1.0, 5.13052225112915, 0.0, 0.0, 15.159595489502, 0.0, 3.49740028381348, 0.0, 0.0, 0.0, 0.0, 2.00758361816406, 0.0, 0.0, 0.0618683211505413, 0.0, 0.0, 0.0, 1.0, -0.0366798937320709, 1.0, 1.29457592964172, 0.0, 0.0, 0.0
InChI%3D1S%2FC20H16O8%2Fc1-23-10-7-11-13%288-4-5-26-20%288%2927-11%2918-15%2810%2916%2822%2914-9%2821%296-12%2824-2%2917%2825-3%2919%2814%2928-18%2Fh4-8%2C20-21H%2C1-3H3, 0.0, 5.77586221694946 5.77586221694946, 7.41669988632202, -0.0382516756653786, 0.0, 6.0, 0.0, 11.3392820358276 11.3392820358276, 5.96488189697266, -0.38195127248764, 0.0, 0.0, 17.2503566741943 17.2503566741943, 0.554441809654236, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 162.0, 504.0, 1.93993198871613 1.93993198871613, 0.0, 0.25, 0.0, 0.0, 2.96090459823608 2.96090459823608, 0.0, 2.1991720199585, 0.0, 19.93359375, 0.0, 0.0, 3.64025974273682 3.64025974273682, 0.0, 7.60183238983154, 0.196418553590775, 0.0, 0.0, 0.0, 2.92590022087097, 0.499485075473785, 0.0793816149234772, 1.0, 0.0, 1.02427113056183, 15.2690534591675, 0.160224080085754, 8.52770328521729, 0.251238137483597, , 27.5482120513916, 0.794399976730347, 0.0, 6.43791484832764, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.09723567962646, 0.0, 0.176180154085159, 0.0, 3.85636234283447, 3.0, 0.0, 0.0, 2.63664174079895, 0.0, 0.0, 0.0, 0.0, 1.73660910129547, 0.0, 92.6800003051758, 0.0, 1.16478872299194, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 34.1957511901855, 4.0, 0.0, 36.6492881774902, 2.99549388885498, 0.0, 1722.0, 0.391486763954163, 1965.36279296875, 1.0, 0.0, 56.0842170715332, 1.82378327846527, 2475.98120117188, 0.0, 0.0, 67.1833267211914, 0.0, 0.0, 0.0, 0.0, 7.74337148666382, 3886.94018554688, 73.2762451171875, 5.80735492706299, 57.0, 4304.654296875, 0.0, 1548.07995605469, 0.0, 4083.47192382812, 10.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 9.0, 0.0, 19.5766220092773, 0.0, 0.0, 0.5, 13.5832490921021, 2.0, 0.0, 0.0, 1.97248339653015, 0.0, 12.3626461029053, 2.0, 0.0, 1.32454168796539, 0.0, 11.7608594894409, 0.691060602664948, 14.1603002548218, 0.0, 0.0, 11.1883230209351, 2.0, 0.0, 1.22150278091431, 0.0, 0.0, 0.0, 1.0, -0.518962979316711, 0.0, 9.12932586669922, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H11N3.C2H4O2%2Fc1-7-12-8-4-2-3-5-9%288%2915-10%2812%296-11%2813%2914-7%3B1-2%283%294%2Fh2-6%2C15H%2C1H3%2C%28H2%2C13%2C14%29%3B1H3%2C%28H%2C3%2C4%29, 0.0, 2.48997497558594 2.48997497558594, 3.06746768951416, -0.00592343788594007, 1.0, 0.0, 0.0, 4.83013200759888 4.83013200759888, 2.06396985054016, -0.0574126280844212, 0.0, 0.0, 6.76416397094727 6.76416397094727, 0.063598558306694, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 96.0, 1345294336.0, 1.07771527767181 1.07771527767181, 0.0, 0.5, 0.0, 0.0, 1.76038682460785 1.76038682460785, 0.0, 0.0, 0.0, 15.3900003433228, 0.0, 0.0, 2.07696032524109 2.07696032524109, 0.0, 6.63520431518555, 0.0785674229264259, 0.0, 0.0, 0.0, 3.76163268089294, 0.350916475057602, 0.0279508493840694, 1.0, 0.0, 0.691662490367889, 10.8965339660645, 0.12146982550621, 6.06410217285156, 0.20365908741951, , 0.0352913476526737, 0.611957252025604, 0.0, 4.5296950340271, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.92850494384766, 2.0, 0.0983733981847763, 0.0, 2.32988119125366, 2.0, 0.0, 0.0, 1.52366364002228, 0.0, 0.0, 0.0, 0.0, 0.885730266571045, 0.0, 86.0699996948242, 0.0, 0.486917287111282, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 21.6289024353027, 2.0, 0.0, 21.4951095581055, 0.0, 0.0, 60000002048.0, 9.99999971718069e-10, 1072.45568847656, 2.0, 0.0, 31.1281223297119, 0.000145204103318974, 1269.42932128906, 0.0, 0.0, 25.3294811248779, 0.0, 0.0, 0.0, 0.0, 0.000301565276458859, 1837.21032714844, 21.7170867919922, 5.24792766571045, 24.0, 1661.07177734375, 0.0, 954.049987792969, 0.0, 1239.11499023438, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 1.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.25, 0.0, 1.0, 0.0, 8.0, 0.0, 13.9911994934082, 0.0, 0.0, 0.999000012874603, 8.98607063293457, 0.0, 1.0, 0.0, 1.68225491046906, 0.0, 8.56743431091309, 1.0, 0.0, 4.28426074981689, 0.0, 5.74842691421509, 0.247525274753571, 0.758651256561279, 1.0, 0.0, 5.47612047195435, 4.0, 0.0, 0.339701622724533, 0.0, 0.0, 0.0, 1.0, -0.154357001185417, 0.0, 4.23943901062012, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H7NO%2Fc1-6-4-2-3-5-7%286%298-9%2Fh2-5H%2C1H3, 0.0, 1.06903564929962 1.06903564929962, 0.469913214445114, -0.0234117824584246, 0.0, 0.0, 0.0, 1.40829122066498 1.40829122066498, 0.176776692271233, -0.00830949563533068, 0.0, 0.0, 1.30473780632019 1.30473780632019, -0.00097540469141677, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 40.0, 67.0, 0.396654009819031 0.396654009819031, 0.0, 0.0, 0.0, 0.0, 0.36655655503273 0.36655655503273, 0.0, 0.0, 0.0, 7.11111116409302, 0.0, 0.0, 0.294865041971207 0.294865041971207, 0.0, 3.23966932296753, 0.0, 0.0, 0.0, 0.0, 1.70414197444916, 0.0833333358168602, 0.0, 0.0, 0.0, 0.142258897423744, 5.16486310958862, 0.0277777779847383, 2.73353123664856, 0.0402003787457943, , 1.0, 0.208887293934822, 0.0, 1.87777376174927, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.21380233764648, 0.0, 0.0372678004205227, 0.0, 0.665845394134521, 1.0, 0.0, 0.0, 0.349479258060455, 0.0, 0.0, 0.0, 0.0, 0.0993278697133064, 0.0, 29.4300003051758, 0.0, 0.0225656107068062, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.1344566345215, 1.0, 0.0, 9.719651222229, 0.0, 0.0, 86.0, 0.0, 386.559661865234, 0.0, 0.0, 11.6644620895386, 1.3731781244278, 416.833618164062, 0.0, 0.0, 11.1627397537231, 0.0, 0.0, 0.0, 0.0, 1.41421353816986, 503.310974121094, 6.16246128082275, 4.16992521286011, 10.0, 391.916656494141, 0.0, 184.020004272461, 0.0, 142.609664916992, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 6.69023466110229, 0.0, 0.0, 0.400000005960464, 4.3425350189209, 0.0, 0.0, 0.0, 0.402368932962418, 1.0, 3.43006896972656, 0.0, 0.0, 3.96540641784668, 0.0, 2.81349611282349, 0.117851130664349, 4.29827976226807, 0.0, 0.0, 1.99955224990845, 4.0, 0.0, 0.0488097667694092, 0.0, 0.0, 0.0, 1.0, 0.00831347145140171, 0.0, 1.20977282524109, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H9NO2%2Fc1-4%282%293-7-5-6%2Fh4H%2C3H2%2C1-2H3, 0.0, 0.288675129413605 0.288675129413605, 0.0, 0.0365481041371822, 1.0, 1.0, 0.0, 0.20412415266037 0.20412415266037, 0.0, -0.0186936315149069, 0.0, 0.0, 0.20412415266037 0.20412415266037, -0.00326011050492525, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 24.0, 47.0, 0.16666667163372 0.16666667163372, 0.0, 0.0, 0.0, 0.0, 0.0745356008410454 0.0745356008410454, 0.0, 0.5, 0.0, 7.0, 0.0, 0.0, 0.0304290316998959 0.0304290316998959, 0.0, 4.16666650772095, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.54816722869873, 0.0, 2.21677231788635, 0.0, , 0.0, 0.40824830532074, 0.0, 1.76414859294891, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.460573554039001, 0.0, 0.0, 0.0, 0.179500222206116, 2.0, 0.0, 0.0, 0.0608580633997917, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 38.6599998474121, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.90892601013184, 1.0, 0.0, 7.43902397155762, 0.0, 0.0, 52.0, 0.5, 183.268737792969, 0.0, 0.0, 7.27274608612061, 1.0, 170.179931640625, 0.0, 0.0, 5.16246128082275, 0.0, 0.0, 0.0, 0.0, 2.0, 160.31867980957, 3.66446256637573, 3.80735492706299, 4.0, 91.6969985961914, 0.0, 183.029998779297, 0.0, 56.0203437805176, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.69867038726807, 0.0, 0.0, 0.400000005960464, 3.27005553245544, 0.0, 0.0, 0.0, 0.40824830532074, 1.0, 2.53607535362244, 1.0, 0.0, 0.0, 0.0, 1.13502776622772, 0.0, 1.0, 0.0, 0.0, 0.61237245798111, 0.0, 0.0, 0.0988028720021248, 0.0, 0.0, 0.0, 1.0, -0.0633709132671356, 0.0, 0.40824830532074, 0.0, 0.0, 0.0
InChI%3D1S%2FC19H16ClNO4%2Fc1-11-15%2810-18%2822%2923%2916-9-14%2825-2%297-8-17%2816%2921%2811%2919%2824%2912-3-5-13%2820%296-4-12%2Fh3-9H%2C10H2%2C1-2H3%2C%28H%2C22%2C23%29, 0.0, 4.39021587371826 4.39021587371826, 4.59121513366699, 0.0682910978794098, 1.0, 1.0, 1.0, 7.28361701965332 7.28361701965332, 3.35522675514221, -0.00126855191774666, 0.0, 0.0, 11.1981191635132 11.1981191635132, -0.08749920129776, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 132.0, 476.0, 1.73515093326569 1.73515093326569, 0.0, 0.650697648525238, 0.0, 0.0, 2.40792798995972 2.40792798995972, 0.0, 0.428571432828903, 0.0, 19.7530860900879, 0.0, 0.0, 3.06492352485657 3.06492352485657, 0.0, 8.34714031219482, 0.0641500279307365, 0.0, 0.0, 0.0, 4.13527965545654, 0.38864454627037, 0.0279508493840694, 1.0, 0.0, 0.748911738395691, 14.5016241073608, 0.145799413323402, 7.99850225448608, 0.242127001285553, , 11.2252759933472, 0.843362152576447, 0.0, 6.10144996643066, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.41613006591797, 2.0, 0.154391571879387, 0.0, 3.07299280166626, 2.0, 0.0, 0.0, 2.19519186019897, 0.0, 0.0, 0.0, 0.0, 1.25353848934174, 0.0, 68.5299987792969, 0.0, 0.734914183616638, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 36.1706161499023, 3.0, 0.0, 31.1107521057129, 0.0, 0.0, 1424.0, 0.142857149243355, 1775.18432617188, 2.0, 0.0, 46.7227973937988, 3.0236599445343, 2132.3857421875, 0.0, 0.0, 49.3911361694336, 0.0, 0.0, 0.0, 0.0, 4.29891729354858, 3125.224609375, 47.6015815734863, 5.64385604858398, 42.0, 3246.91259765625, 0.0, 1249.06005859375, 0.0, 2944.19750976562, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0, 0.0, 18.1374645233154, 0.0, 0.0, 0.5, 11.9179229736328, 0.0, 0.0, 0.0, 1.97197377681732, 0.0, 11.0239744186401, 0.0, 0.0, 7.02961397171021, 0.0, 9.1226167678833, 0.459564566612244, 21.5080966949463, 0.0, 0.0, 7.65443181991577, 7.0, 1.0, 0.592713356018066, 0.0, 0.0, 0.0, 2.0, -0.310384511947632, 0.0, 6.51950645446777, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H13ClN6%2Fc1-4-12-7-13-6%2810%2914-8%2815-7%2916-9%282%2C3%295-11%2Fh4H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29, 0.0, 2.39749026298523 2.39749026298523, 1.90850913524628, 0.345910608768463, 1.0, 0.0, 1.0, 3.52449893951416 3.52449893951416, 0.875172734260559, -0.34142929315567, 0.0, 0.0, 3.75694727897644 3.75694727897644, 0.174907580018044, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 76.0, 214.0, 0.906518399715424 0.906518399715424, 0.0, 0.0, 0.0, 0.0, 1.14153695106506 1.14153695106506, 0.0, 0.0, 0.0, 14.0625, 0.0, 0.0, 1.02706205844879 1.02706205844879, 0.0, 6.07438039779663, 0.0, 0.0, 0.0, 0.0, 4.81663513183594, 0.0680413842201233, 0.0, 0.0, 1.0, 0.164266422390938, 10.3901281356812, 0.020833333954215, 5.5685772895813, 0.0433563962578773, , 1.5, 1.04173386096954, 0.0, 4.39143514633179, 0.0, 0.944940805435181, 0.0, 0.125, 0.0, 0.0, 2.19350671768188, 0.0, 0.0, 0.0, 1.47768831253052, 3.0, 0.0, 0.0, 0.838843941688538, 0.0, 0.0, 0.0, 0.0, 0.592630088329315, 0.0, 84.2699966430664, 0.0, 0.202830567955971, 0.0, 0.968096256256104, 0.0, 0.0, 0.0, 0.0, 25.8726825714111, 1.0, 0.0, 19.7797756195068, 0.0, 0.0, 456.0, 0.595275402069092, 965.335815429688, 1.0, 0.0, 30.235387802124, 1.76032793521881, 1074.71862792969, 1.0, 0.0, 26.4238719940186, 0.0, 1.0, 0.0, 0.0, 2.13413596153259, 1408.24291992188, 28.9024486541748, 5.0, 20.0, 1277.3681640625, 0.0, 849.070007324219, 1.56827390193939, 1132.23889160156, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 4.0612621307373, 0.0, 0.0, 0.0, 0.0, 0.0, 12.1817979812622, 0.0, 0.0, 0.444444447755814, 7.46465682983398, 0.0, 4.0, 0.0, 1.90403020381927, 1.0, 7.05489540100098, 2.0, 0.25, 0.142857149243355, 0.0, 4.63336229324341, 0.0, 1.63976919651031, 0.0, 0.0, 3.63458013534546, 0.0, 0.0, 0.453916877508163, 0.0, 0.816496610641479, 0.0, 0.0, -0.367327481508255, 0.0, 2.39183592796326, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H4O2%2Fc4-3-1-2-5-3%2Fh1-2H2, 0.0, 0.40824830532074 0.40824830532074, 0.0, 0.0507485680282116, 2.0, 1.0, 0.0, 0.0 0.0, 0.0, -0.0431030578911304, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 22.0, 23.0, 0.0833333358168602 0.0833333358168602, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.5, 0.0, 3.20000004768372, 0.20412415266037, 0.0, 0.0 0.0, 0.0, 1.0, 0.20412415266037, 0.0, 0.0, 0.102062076330185, 0.444444447755814, 0.0, 0.0416666679084301, 0.0, 0.0, 0.0, 2.73071002960205, 0.0, 1.55047678947449, 0.0, , 0.0, 0.0589255653321743, 0.0, 0.970470190048218, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.569235920906067, 0.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 26.2999992370605, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.54893827438354, 0.0, 0.0, 5.99627590179443, 0.0, 0.0, 16.0, 0.0, 102.42520904541, 1.0, 0.0, 5.43865299224854, 0.0, 106.721130371094, 0.0, 0.0, 1.33209192752838, 0.0, 0.0, 0.0, 0.0, 0.0, 77.1804733276367, 0.0, 3.32192802429199, 1.0, 15.5250473022461, 0.0, 61.0200004577637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 3.69867062568665, 0.0, 0.0, 0.333333343267441, 2.3938467502594, 0.0, 0.0, 0.0, 0.288675129413605, 0.0, 2.03607535362244, 0.0, 0.0, 1.0, 0.0, 1.39384686946869, 0.0, 1.41421353816986, 0.0, 0.0, 0.40824830532074, 0.0, 0.0, 0.279180258512497, 0.0, 0.0, 0.0, 1.0, -0.147235631942749, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC10H13N3O%2Fc14-12-13-7-2-1-5-10%2813%299-4-3-6-11-8-9%2Fh3-4%2C6%2C8%2C10H%2C1-2%2C5%2C7H2, , 1.42949759960175 1.42949759960175, 1.60593521595001, 0.0293221510946751, 4.0, 0.0, 0.0, 2.47093868255615 2.47093868255615, 1.0577198266983, -0.0399108082056046, , 0.0, 3.28537702560425 3.28537702560425, 0.0361494123935699, , 0.0, 0.75, 0.0, 0.0, 0.0, 68.0, 164.0, 0.674624979496002 0.674624979496002, 0.0, 0.0, 0.0, 0.0, 0.988320231437683 0.988320231437683, 0.0, 0.0, 0.0, 10.5155553817749, 0.0, 0.0, 1.13762044906616 1.13762044906616, 0.0, 5.18559551239014, 0.0, 0.0, 0.0, 0.0, 2.53439998626709, 0.185395404696465, 0.0, 0.0, 0.0, 0.165963649749756, 7.9650673866272, 0.0893949195742607, 4.91433906555176, 0.0754867568612099, , 1.0, 0.26916179060936, 0.0, 3.54266023635864, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.64860916137695, 0.0, 0.0592965446412563, , 1.9258975982666, 0.0, 0.0, 0.0, 1.35407280921936, 0.0, , , 0.0, 0.594136595726013, 0.0, 45.560001373291, 0.0, 0.330793380737305, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 15.8544330596924, 1.0, 0.0, 16.5781955718994, 0.0, , 295.0, 0.0, 787.172546386719, 0.0, 0.0, 20.7167625427246, 0.0, 897.375, 0.0, 0.0, 20.9936656951904, 0.0, 0.0, 0.0, , 0.0, 1167.22265625, 18.1871910095215, 4.80735492706299, 19.0, 1099.17687988281, 0.0, 602.039978027344, 0.0, 807.296020507812, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 3.0, 0.0, , 0.0, 0.200000002980232, 0.0, 0.0, 1.0, 6.0, 0.0, 9.80311870574951, , , 0.428571432828903, 6.91501474380493, 0.0, 0.0, 0.0, 0.469416111707687, 1.0, 5.51472949981689, 1.0, 0.0, 9.53586959838867, 0.0, 4.74757766723633, 0.136082768440247, 7.35996675491333, 1.0, 0.0, 3.92613959312439, 4.0, 0.0, 0.121116921305656, 0.0, 0.0, 0.0, 1.0, -0.0618234314024448, 1.0, 3.11477899551392, 0.0, 0.0, 0.0
InChI%3D1S%2FC10H8N4%2Fc11-8-5-4-7-10%2813-8%2914-6-2-1-3-9%2814%2912-7%2Fh1-6H%2C%28H2%2C11%2C13%29, 0.0, 2.1363730430603 2.1363730430603, 2.7225456237793, 0.0858691334724426, 6.0, 0.0, 0.0, 3.67258810997009 3.67258810997009, 1.9376163482666, -0.0481136068701744, 0.0, 0.0, 5.36710071563721 5.36710071563721, 0.00713324500247836, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 78.0, 166.0, 0.833893179893494 0.833893179893494, 0.0, 0.0, 0.0, 0.0, 1.28761970996857 1.28761970996857, 0.0, 0.0, 0.0, 9.2421875, 0.0, 0.0, 1.66501545906067 1.66501545906067, 0.0, 3.53875231742859, 0.0785674229264259, 0.0, 0.0, 0.0, 1.546875, 0.37359693646431, 0.025000000372529, 0.0, 0.0, 0.648104131221771, 8.1370677947998, 0.152684703469276, 5.27131509780884, 0.204293206334114, , 2.80396580696106, 0.373114615678787, 0.0, 4.03563022613525, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.03204846382141, 0.0, 0.0624419040977955, 0.0, 2.30143904685974, 0.0, 0.0, 0.0, 1.7593674659729, 0.0, 0.0, 0.0, 0.0, 0.964741766452789, 0.0, 53.7000007629395, 0.0, 0.627107620239258, 0.0, 0.63245552778244, 0.0, 0.0, 0.0, 0.25, 15.4399518966675, 0.0, 0.0, 17.3294811248779, 0.0, 0.0, 272.0, 0.0, 878.319519042969, 1.0, 0.0, 25.5756320953369, 0.0, 1048.50622558594, 0.0, 0.0, 23.1880264282227, 0.0, 0.0, 0.0, 0.0, 0.0, 1510.97058105469, 16.3570995330811, 4.80735492706299, 21.0, 1335.88134765625, 0.0, 718.039978027344, 0.0, 908.9033203125, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 2.0, 1.0, 6.0, 0.0, 9.54360580444336, 0.0, 0.0, 0.428571432828903, 6.84333658218384, 0.0, 1.0, 0.0, 0.894173979759216, 0.0, 6.28625202178955, 0.0, 0.0, 5.41658639907837, 0.0, 5.43360376358032, 0.191638320684433, 8.90622711181641, 2.0, 0.0, 4.78612565994263, 0.0, 1.0, 0.229221642017365, 0.0, 0.0, 0.0, 0.0, -0.166599407792091, 0.0, 4.15251350402832, 0.0, 0.0, 0.0
InChI%3D1S%2FC2H5NO2%2Fc3-1-2%284%295%2Fh1%2C3H2%2C%28H%2C4%2C5%29, 0.0, 0.40824830532074 0.40824830532074, 0.0, -0.0849447548389435, 1.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.049066536128521, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 16.0, 19.0, 0.0372678004205227 0.0372678004205227, 0.0, 0.5, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.25, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 1.0, 0.0, 0.0, 2.63991904258728, 0.0, 1.18953263759613, 0.0, , 0.0, 0.0645497217774391, 1.0, 0.597862660884857, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.174620419740677, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 63.3199996948242, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.90892601013184, 0.0, 0.0, 4.8303689956665, 0.0, 0.0, 18.0, 0.0, 96.9404983520508, 1.0, 0.0, 5.60483837127686, 0.0, 84.3220977783203, 0.0, 0.0, 3.10693192481995, 0.0, 0.0, 0.0, 0.0, 0.0, 72.0672760009766, 0.0, 3.32192802429199, 2.0, 30.919132232666, 0.0, 61.0299987792969, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.28445720672607, 0.0, 0.0, 0.333333343267441, 2.27005553245544, 0.0, 0.0, 0.0, 0.40824830532074, 0.0, 1.80209517478943, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.25019508600235, 0.0, 0.0, 0.0, 1.0, -0.089219331741333, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H11N3%2Fc1-11%282%2910-9-8-6-4-3-5-7-8%2Fh3-7H%2C1-2H3%2Fb10-9%2B, 0.0, 0.721687853336334 0.721687853336334, 0.739859580993652, -0.00304825906641781, 0.0, 0.0, 0.0, 0.760310351848602 0.760310351848602, 0.421097666025162, -0.0642756372690201, 0.0, 0.0, 0.953232765197754 0.953232765197754, 0.0209413077682257, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 48.0, 120.0, 0.208842352032661 0.208842352032661, 0.0, 0.0, 0.0, 0.0, 0.172654092311859 0.172654092311859, 0.0, 0.0, 0.0, 9.09090900421143, 0.0, 0.0, 0.178267031908035 0.178267031908035, 0.0, 4.79289960861206, 0.0, 0.0, 0.0, 0.0, 3.78698229789734, 0.102062076330185, 0.0, 0.0, 0.0, 0.0721687823534012, 6.72839212417603, 0.0320750139653683, 3.42871761322021, 0.0143443830311298, , 0.0, 0.274535596370697, 0.0, 2.37220549583435, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.09527039527893, 0.0, 0.0, 0.0, 0.635743260383606, 2.0, 0.0, 0.0, 0.413724303245544, 0.0, 0.0, 0.0, 0.0, 0.127752721309662, 0.0, 27.9599990844727, 0.0, 0.0571946054697037, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.079963684082, 0.0, 0.0, 12.2185316085815, 0.0, 0.0, 174.0, 0.5, 495.442016601562, 0.0, 0.0, 14.1909141540527, 1.73832869529724, 518.685913085938, 0.0, 0.0, 11.1632966995239, 0.0, 0.0, 0.0, 0.0, 0.5, 597.084777832031, 7.83092641830444, 4.45943164825439, 10.0, 465.837310791016, 0.0, 374.029998779297, 0.0, 317.494873046875, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.41421353816986, 6.0, 0.0, 8.10444831848145, 0.0, 0.0, 0.428571432828903, 5.2876935005188, 0.0, 0.0, 0.0, 0.61237245798111, 2.0, 4.47523307800293, 0.0, 0.0, 6.08364343643188, 0.0, 2.87701010704041, 0.0, 3.04182171821594, 0.0, 0.0, 2.04485034942627, 5.0, 0.0, 0.106236204504967, 0.0, 0.0, 0.0, 0.0, -0.0195449460297823, 1.0, 1.65869188308716, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H17NO2%2Fc10-7-9%286-8%2811%2912%294-2-1-3-5-9%2Fh1-7%2C10H2%2C%28H%2C11%2C12%29, 0.0, 1.79064047336578 1.79064047336578, 0.817513883113861, 0.0143602387979627, 7.0, 0.0, 0.0, 3.11923670768738 3.11923670768738, 0.40129292011261, 0.00916536804288626, 0.0, 0.0, 3.09226155281067 3.09226155281067, -0.0866198390722275, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 56.0, 108.0, 1.35362613201141 1.35362613201141, 0.0, 0.5, 0.0, 0.0, 1.95459342002869 1.95459342002869, 0.0, 0.0, 0.0, 10.0833330154419, 0.0, 0.0, 1.57940626144409 1.57940626144409, 0.0, 4.296875, 0.0, 1.0, 0.0, 0.0, 2.77777767181396, 0.0883883461356163, 0.0, 1.0, 0.0, 0.125, 7.38255977630615, 0.0883883461356163, 4.60374641418457, 0.125, , 0.0, 0.771656513214111, 1.0, 3.83529949188232, 0.0, 0.5, 0.0, 0.125, 0.0, 0.0, 2.87345194816589, 0.0, 0.0, 0.0, 2.07564449310303, 0.0, 0.0, 0.0, 1.36618435382843, 0.0, 0.0, 0.0, 0.0, 0.54738312959671, 0.0, 63.3199996948242, 0.0, 0.210281640291214, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 13.9089260101318, 0.0, 0.0, 12.8303689956665, 0.0, 0.0, 193.0, 0.0, 660.860717773438, 1.0, 0.0, 17.6048374176025, 0.0, 736.605102539062, 1.0, 0.0, 16.1627388000488, 0.0, 0.0, 0.0, 0.0, 0.0, 968.069641113281, 15.4911079406738, 4.58496236801147, 15.0, 841.606750488281, 0.0, 709.030029296875, 0.0, 548.79931640625, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 9.02709770202637, 0.0, 0.0, 0.5, 5.68426895141602, 0.0, 0.0, 0.0, 1.11535501480103, 0.0, 5.01218461990356, 0.0, 0.125, 9.98957538604736, 0.0, 3.50547456741333, 0.0, 2.33747792243958, 0.0, 0.0, 2.86981725692749, 0.0, 0.0, 0.222288012504578, 0.0, 4.90827941894531, 0.0, 1.0, -0.102290071547031, 0.0, 1.97514450550079, 0.0, 0.0, 0.0
InChI%3D1S%2FC5H12N2O3%2Fc1-5%289%294-7%286-10%292-3-8%2Fh5%2C8-9H%2C2-4H2%2C1H3, , 0.702015101909637 0.702015101909637, 0.235702261328697, -0.0694987028837204, 3.0, 0.0, 0.0, 1.05889523029327 1.05889523029327, 0.0, 0.0811028182506561, , 0.0, 1.03240871429443 1.03240871429443, -0.0802550092339516, , 0.0, 1.0, 0.0, 0.0, 0.0, 38.0, 81.0, 0.250920206308365 0.250920206308365, 0.0, 0.56462162733078, 0.0, 0.0, 0.302690118551254 0.302690118551254, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.205912604928017 0.205912604928017, 0.0, 5.76000022888184, 0.0, 0.0, 0.0, 0.0, 5.53086423873901, 0.0, 0.0, 2.0, 0.0, 0.0, 5.89577341079712, 0.0, 3.07505488395691, 0.0, , 0.0, 0.28257417678833, 0.0, 2.06690835952759, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.948556900024414, 0.0, 0.0, , 0.585876286029816, 1.0, 0.0, 0.0, 0.239434629678726, , , , 0.0, 0.0590822473168373, 0.0, 73.129997253418, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 13.0433835983276, 0.0, , 10.910008430481, 0.0, , 134.0, 0.0, 336.996612548828, 0.0, 0.0, 12.2144832611084, 0.877205312252045, 339.507019042969, 0.0, 0.0, 11.2696714401245, 0.0, 0.0, 0.0, , 1.0, 363.764099121094, 11.6014852523804, 4.32192802429199, 9.0, 302.818725585938, 0.0, 351.049987792969, 0.0, 248.818557739258, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 7.98312759399414, , , 0.5, 4.70190715789795, 0.0, 0.0, 0.0, 0.61237245798111, 1.0, 3.69249796867371, 1.0, 0.0, 1.65096366405487, , 2.0790114402771, 0.0, 1.31037068367004, 0.0, 0.0, 1.56355690956116, 0.0, 0.0, 0.240894138813019, 0.0, 0.0, 0.0, 1.0, -0.0702354088425636, 1.0, 0.891010880470276, 0.0, 0.0, 0.0
InChI%3D1S%2FC18H25NO6%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2924-9-13-4-6-19-7-5-14%2815%2813%2919%2925-16%2812%2921%2Fh3-4%2C11%2C14-15%2C20%2C23H%2C5-10H2%2C1-2H3%2Ft11-%2C14%3F%2C15-%2C18-%2Fm1%2Fs1, 0.0, 6.14030265808105 6.14030265808105, 3.9629693031311, -0.00616595475003123, 6.0, 2.0, 0.0, 9.12922191619873 9.12922191619873, 2.98981118202209, 0.0275149717926979, 0.0, 0.0, 10.1778497695923 10.1778497695923, 0.0242754928767681, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 134.0, 396.0, 2.67461323738098 2.67461323738098, 0.0, 1.28049027919769, 0.0, 0.0, 3.43654584884644 3.43654584884644, 0.0, 1.90000247955322, 0.0, 19.7530860900879, 0.0, 0.0, 3.42996501922607 3.42996501922607, 0.0, 7.93499994277954, 0.19245009124279, 0.0, 0.0, 0.0, 3.70408153533936, 0.383276641368866, 0.127240225672722, 2.0, 0.0, 0.594116032123566, 14.6040258407593, 0.225366085767746, 8.69950199127197, 0.301487296819687, , 7.17539262771606, 1.14418661594391, 0.0, 7.0288348197937, 0.0, 2.47687101364136, 0.0, 0.0456435456871986, 0.0, 0.0, 5.58913707733154, 0.0, 0.329530596733093, 0.0, 3.85256600379944, 2.0, 0.0398821197450161, 0.0, 2.34076189994812, 0.0, 0.0, 0.0, 0.0, 1.45734167098999, 0.0, 96.3000030517578, 0.0, 0.92769855260849, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 30.0068016052246, 2.0, 0.0, 30.1552925109863, 0.200000002980232, 0.0, 1297.0, 0.200000002980232, 1758.13452148438, 4.0, 0.0, 45.8666915893555, 3.2093026638031, 2092.56127929688, 1.0, 0.0, 55.0207138061523, 0.0, 0.0, 0.0, 0.0, 3.49456715583801, 3021.44165039062, 53.9104270935059, 5.64385604858398, 46.0, 3135.76635742188, 0.0, 2104.07006835938, 0.63245552778244, 3042.1279296875, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 4.0, 0.0, 18.1898708343506, 0.0, 0.0, 0.333333343267441, 11.9012327194214, 2.0, 0.0, 0.0, 2.11449432373047, 0.0, 10.8681240081787, 3.0, 0.117851130664349, 6.79064464569092, 0.0, 10.0932712554932, 0.975561857223511, 17.0301761627197, 0.0, 0.0, 7.70803689956665, 0.0, 0.0, 0.842974901199341, 0.16666667163372, 2.16097092628479, 0.0, 2.0, -0.427885949611664, 1.0, 5.21671295166016, 0.0, 0.0, 0.0
InChI%3D1S%2FC13H18Cl2N2O2%2Fc14-5-7-17%288-6-15%2911-3-1-10%282-4-11%299-12%2816%2913%2818%2919%2Fh1-4%2C12H%2C5-9%2C16H2%2C%28H%2C18%2C19%29%2Ft12-%2Fm0%2Fs1, 0.0, 2.52585816383362 2.52585816383362, 1.93070554733276, -0.167792469263077, 5.0, 0.0, 2.0, 2.76043796539307 2.76043796539307, 1.21269464492798, 0.17798188328743, 0.0, 0.0, 3.69580769538879 3.69580769538879, -0.0096966614946723, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 0.0, 86.0, 317.0, 0.910252571105957 0.910252571105957, 0.0, 0.5, 0.0, 0.0, 1.15270662307739 1.15270662307739, 0.0, 0.0, 0.0, 17.0526313781738, 0.0, 0.0, 1.29520225524902 1.29520225524902, 0.0, 9.03125, 0.0, 0.0, 0.0, 0.0, 5.87755107879639, 0.0833333358168602, 0.0, 1.0, 0.0, 0.107038088142872, 12.0700979232788, 0.0277777779847383, 7.09253787994385, 0.0320644564926624, , 2.10257887840271, 0.474745899438858, 1.0, 4.93624353408813, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.12122869491577, 0.0, 0.0587843731045723, 0.0, 2.16621041297913, 0.0, 0.0, 0.0, 1.44670987129211, 0.0, 0.0, 0.0, 0.0, 0.788060188293457, 0.0, 66.5599975585938, 0.0, 0.385311663150787, 0.0, 0.0, 0.0, 0.0, 0.0, 0.142857149243355, 36.6944198608398, 1.0, 0.0, 24.2323989868164, 0.0, 0.0, 804.0, 0.0, 1175.71276855469, 1.0, 0.0, 30.3392391204834, 0.0, 1289.5498046875, 0.0, 0.0, 32.1542167663574, 0.0, 0.0, 0.0, 0.0, 0.0, 1617.03442382812, 31.9696884155273, 5.24792766571045, 25.0, 1647.79052734375, 0.0, 1027.06005859375, 0.0, 1444.73779296875, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.0, 0.0, 14.2507123947144, 0.0, 0.0, 0.454545468091965, 9.07891750335693, 0.0, 0.0, 0.0, 1.10649311542511, 0.0, 7.5752387046814, 1.0, 0.0, 11.577112197876, 0.0, 5.72019958496094, 0.319035589694977, 10.9631490707397, 0.0, 0.0, 4.05061149597168, 4.0, 0.0, 0.431531876325607, 0.0, 0.0, 0.0, 1.0, -0.174160584807396, 1.0, 3.19717860221863, 0.0, 0.0, 0.0
InChI%3D1S%2FC5H10N2O3%2Fc1-5%289%294-7%286-10%292-3-8%2Fh8H%2C2-4H2%2C1H3, , 0.702015101909637 0.702015101909637, 0.235702261328697, -0.0885482728481293, 3.0, 0.0, 0.0, 1.05889523029327 1.05889523029327, 0.0, 0.0859832987189293, , 0.0, 1.03240871429443 1.03240871429443, -0.0937169343233109, , 0.0, 1.0, 0.0, 0.0, 0.0, 38.0, 81.0, 0.226085230708122 0.226085230708122, , 0.56462162733078, 0.0, 0.0, 0.261181503534317 0.261181503534317, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.171728566288948 0.171728566288948, 0.0, 5.76000022888184, 0.0, 0.0, 0.0, 0.0, 5.53086423873901, 0.0, 0.0, 1.0, 0.0, 0.0, 5.77945756912231, 0.0, 2.88893508911133, 0.0, , 0.0, 0.244337573647499, 0.0, 1.89544177055359, 0.0, 0.0, , 0.0, , 0.0, 0.87876158952713, 0.0, 0.0, , 0.521206438541412, 1.0, 0.0, 0.0, 0.205597192049026, , , , 0.0, 0.0497890971601009, , 69.9700012207031, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 13.0433835983276, 0.0, , 10.910008430481, 0.0, , 134.0, 0.0, 323.6865234375, 1.0, 0.0, 12.2144832611084, 0.877205312252045, 325.661315917969, 0.0, 0.0, 11.2696714401245, 0.0, 0.0, 0.0, , 1.0, 350.663055419922, 11.6014852523804, 4.32192802429199, 9.0, 291.3779296875, 0.0, 271.049987792969, 0.0, 237.193161010742, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , , 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 7.98312759399414, , , 0.5, 4.70190715789795, 0.0, 0.0, 0.0, 0.61237245798111, 1.0, 3.69249796867371, 0.0, 0.0, 1.65096366405487, , 2.0790114402771, 0.0, 1.31037068367004, 0.0, 0.0, 1.56355690956116, 0.0, 0.0, 0.29157355427742, 0.0, 0.0, 0.0, 2.0, -0.0736737921833992, 1.0, 0.891010880470276, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H8N4O2S%2Fc1-13%2812-15%299%2814%2911-8-10-6-4-2-3-5-7%286%2916-8%2Fh2-5H%2C1H3%2C%28H%2C10%2C11%2C14%29, 0.0, 2.42963314056396 2.42963314056396, 1.99130082130432, 0.273478955030441, 0.0, 0.0, 0.0, 3.2659478187561 3.2659478187561, 1.46201717853546, -0.273047626018524, 0.0, 0.0, 3.75915741920471 3.75915741920471, 0.187170952558517, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 1.0, 80.0, 238.0, 0.958498179912567 0.958498179912567, 0.0, 0.25, 0.0, 0.0, 1.17843973636627 1.17843973636627, 0.0, 0.0, 0.0, 12.4567470550537, 0.0, 0.0, 1.17527985572815 1.17527985572815, 0.0, 5.55765581130981, 0.0962250456213951, 0.0, 0.0, 0.0, 3.02972650527954, 0.287457466125488, 0.0684653222560883, 1.0, 0.0, 0.397697448730469, 9.17846202850342, 0.137453347444534, 5.22352361679077, 0.165573254227638, , 2.67269611358643, 0.508522272109985, 0.0, 3.99032306671143, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.8204391002655, 2.0, 0.0656435489654541, 0.0, 1.93513536453247, 1.0, 0.0, 0.0, 1.23141872882843, 0.0, 0.0, 0.0, 0.0, 0.668068289756775, 0.0, 106.389999389648, 0.0, 0.395653486251831, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 25.1166439056396, 0.0, 0.0, 22.5822277069092, 0.0, 0.0, 463.0, 0.0, 1036.65856933594, 1.0, 0.0, 33.6116142272949, 0.534522473812103, 1202.75439453125, 0.0, 0.0, 29.4144744873047, 0.0, 0.0, 0.0, 0.0, 0.970983564853668, 1630.3662109375, 25.2457790374756, 5.0, 21.0, 1345.96911621094, 0.0, 385.070007324219, 0.0, 1000.39855957031, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.965489387512207, 0.0, 0.0, 1.5, 6.0, 0.0, 11.5436058044434, 0.0, 0.0, 0.444444447755814, 7.70270872116089, 0.0, 0.0, 0.0, 1.00886201858521, 2.0, 6.74056482315063, 0.0, 0.0, 3.96540641784668, 0.0, 5.65913534164429, 0.25, 5.61932992935181, 1.0, 0.0, 4.21049928665161, 4.0, 0.0, 0.292898654937744, 0.0, 0.0, 0.0, 1.0, -0.266221135854721, 1.0, 3.02671766281128, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H6O%2Fc1-3-2-4-3%2Fh3H%2C2H2%2C1H3, 0.0, 0.0 0.0, 0.0, -0.00624010059982538, 1.0, 1.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 18.0, 13.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.288675129413605, 0.0 0.0, 0.16666667163372, 0.0, 0.0, 2.25, 0.288675129413605, 0.0, 0.0 0.0, 0.0, 0.479999989271164, 0.0, 0.0, 0.0, 0.16666667163372, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, 0.0, 2.69270539283752, 0.0, 1.50997591018677, 0.0, , 0.0, 0.16666667163372, 0.0, 1.1439505815506, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.5299997329712, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.77446889877319, 0.0, 0.0, 4.66418409347534, 0.0, 0.0, 8.0, 0.0, 86.3492736816406, 0.0, 0.0, 2.33209204673767, 0.5, 88.6049194335938, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 39.8453102111816, 0.0, 3.0, 0.0, 0.0, 0.0, 88.0100021362305, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 2.99156379699707, 0.0, 0.0, 0.5, 1.89384686946869, 0.0, 0.0, 0.0, 0.288675129413605, 0.0, 1.68252193927765, 1.0, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.174877882003784, 0.0, 0.0, 0.0, 0.0, -0.0811988413333893, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H4Cl4O2%2Fc13-5-1-9-10%282-6%285%2914%2918-12-4-8%2816%297%2815%293-11%2812%2917-9%2Fh1-4H, 0.0, 3.86641621589661 3.86641621589661, 3.56174755096436, -0.22543115913868, 0.0, 2.0, 4.0, 4.97002696990967 4.97002696990967, 2.5759220123291, -0.067031167447567, 0.0, 0.0, 8.09933853149414 8.09933853149414, 0.0605561919510365, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 100.0, 280.0, 1.91560888290405 1.91560888290405, 0.0, 0.0, 0.0, 0.0, 1.77332270145416 1.77332270145416, 0.0, 0.0, 0.0, 13.0050001144409, 0.0, 0.0, 2.30344223976135 2.30344223976135, 0.0, 4.83555555343628, 0.0, 0.0, 0.0, 0.0, 2.40000009536743, 0.16666667163372, 0.0, 0.0, 0.0, 0.536491930484772, 11.6614713668823, 0.0520833320915699, 6.39368438720703, 0.152568072080612, , 9.51926708221436, 0.890355944633484, 0.0, 5.25902843475342, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.85741233825684, 0.0, 0.242063492536545, 0.0, 2.19124722480774, 0.0, 0.0, 0.0, 1.61290204524994, 0.0, 0.0, 0.0, 0.0, 0.932097136974335, 0.0, 18.4599990844727, 0.0, 0.555804252624512, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 50.3999519348145, 0.0, 0.0, 29.1353168487549, 0.333333343267441, 0.0, 571.0, 0.0, 1362.29150390625, 0.0, 0.0, 48.2706336975098, 0.0, 1614.326171875, 0.0, 0.0, 65.4706115722656, 0.0, 0.0, 0.0, 0.0, 0.0, 2323.45483398438, 42.8632583618164, 5.16992521286011, 31.0, 2298.24780273438, 0.0, 270.059997558594, 0.0, 1653.79333496094, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0, 0.0, 12.861442565918, 0.0, 0.0, 0.444444447755814, 8.54171371459961, 0.0, 0.0, 0.0, 1.60947573184967, 0.0, 8.36366748809814, 0.0, 0.0, 1.53261888027191, 0.0, 7.18527793884277, 0.5, 12.8930206298828, 0.0, 0.0, 5.54163694381714, 4.0, 0.0, 0.523164927959442, 0.0, 0.0, 0.0, 0.0, -0.147959813475609, 0.0, 5.05364370346069, 0.0, 0.0, 0.0
InChI%3D1S%2FC15H18N4O%2Fc1-3-18%284-2%2915-7-5-13%286-8-15%2916-17-14-9-11-19%2820%2912-10-14%2Fh5-12H%2C3-4H2%2C1-2H3%2Fb17-16%2B, 0.0, 2.31471371650696 2.31471371650696, 2.31810832023621, -0.082571879029274, 2.0, 0.0, 0.0, 3.08560180664062 3.08560180664062, 1.55042791366577, -0.0963746905326843, 0.0, 0.0, 3.46993780136108 3.46993780136108, -0.0645673498511314, 0.0, 0.0, 0.857142865657806, 0.0, 0.0, 0.0, 96.0, 416.0, 0.853253901004791 0.853253901004791, 0.0, 0.0, 0.0, 0.0, 1.0364910364151 1.0364910364151, 0.0, 0.0, 0.0, 16.3718814849854, 0.0, 0.0, 0.854234516620636 0.854234516620636, 0.100000001490116, 8.44444465637207, 0.0, 0.0, 0.0, 0.0, 5.05785131454468, 0.16666667163372, 0.0, 0.0, 0.0, 0.249296993017197, 11.7301187515259, 0.0526229776442051, 6.68184566497803, 0.0460993200540543, , 0.793700516223907, 0.396268248558044, 0.0, 4.30491876602173, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.04368019104004, 0.0, 0.0372678004205227, 0.0, 1.90591275691986, 2.0, 0.0, 0.0, 1.04868912696838, 0.0, 0.0, 0.0, 0.0, 0.477697223424911, 0.0, 51.0200004577637, 0.0, 0.275714963674545, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 22.2144203186035, 0.0, 0.0, 23.0767517089844, 0.0, 0.0, 970.0, 0.25, 1123.193359375, 0.0, 0.0, 29.6584072113037, 3.84444212913513, 1249.24890136719, 0.0, 0.0, 29.4922218322754, 0.0, 0.0, 0.0, 0.0, 1.10064244270325, 1590.71057128906, 22.6891918182373, 5.32192802429199, 27.0, 1533.94348144531, 0.0, 1141.05004882812, 0.0, 1174.93981933594, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.80820620059967, 9.0, 0.0, 14.3720331192017, 0.0, 0.0, 0.461538463830948, 9.723876953125, 0.0, 0.0, 0.0, 1.03025674819946, 2.0, 8.06062984466553, 0.0, 0.0, 10.7678203582764, 0.0, 6.72542476654053, 0.0833333358168602, 10.000599861145, 0.0, 0.0, 4.99284839630127, 8.0, 0.0, 0.299127340316772, 0.0, 0.0, 0.0, 1.0, -0.0454433858394623, 1.0, 3.82047343254089, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H6N2O3%2Fc7-5-2-1-4%288%2810%2911%293-6%285%299%2Fh1-3%2C9H%2C7H2, 0.0, 2.12630128860474 2.12630128860474, 0.978095650672913, -0.0401601046323776, 0.0, 0.0, 0.0, 2.02068448066711 2.02068448066711, 0.336287319660187, -0.017931966111064, 0.0, 0.0, 2.72215032577515 2.72215032577515, -0.0839555561542511, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 52.0, 99.0, 0.424495458602905 0.424495458602905, 0.0, 0.814325273036957, 0.0, 0.0, 0.356338948011398 0.356338948011398, 0.0, 0.0, 0.0, 9.09090900421143, 0.0, 0.0, 0.353600591421127 0.353600591421127, 0.0, 3.59999990463257, 0.0, 0.0, 0.0, 0.0, 2.21453285217285, 0.0680413842201233, 0.0, 1.0, 0.0, 0.175366476178169, 5.52032470703125, 0.0240562614053488, 2.83907103538513, 0.0354054644703865, , 1.65096366405487, 0.259686440229416, 1.0, 2.00022840499878, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.22483849525452, 0.0, 0.0339391753077507, 0.0, 0.645625233650208, 0.0, 0.0, 0.0, 0.394091933965683, 0.0, 0.0, 0.0, 0.0, 0.142356008291245, 0.0, 92.0699996948242, 0.0, 0.0305836480110884, 0.0, 0.0, 0.0, 0.0, 0.0, 0.200000002980232, 14.0433835983276, 0.0, 0.0, 12.7713947296143, 0.0, 0.0, 152.0, 0.0, 443.027709960938, 0.0, 0.0, 17.767578125, 0.0, 492.999603271484, 0.0, 0.0, 17.2107582092285, 0.0, 0.0, 0.0, 0.0, 0.0, 634.695434570312, 10.5462961196899, 4.45943164825439, 14.0, 532.935180664062, 0.0, 179.050003051758, 0.0, 254.359100341797, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 8.43072128295898, 0.0, 0.0, 0.5, 5.10906076431274, 0.0, 0.0, 0.0, 0.971404492855072, 0.0, 4.7717170715332, 0.0, 0.0, 1.65096366405487, 0.0, 3.58154726028442, 0.333333343267441, 5.85380077362061, 0.0, 0.0, 2.19468545913696, 3.0, 0.0, 0.181081563234329, 0.0, 0.0, 0.0, 2.0, -0.00498130731284618, 0.0, 1.74405467510223, 0.0, 0.0, 0.0
InChI%3D1S%2FC26H29NO.C6H8O7%2Fc1-4-25%2821-11-7-5-8-12-21%2926%2822-13-9-6-10-14-22%2923-15-17-24%2818-16-23%2928-20-19-27%282%293%3B7-3%288%291-6%2813%2C5%2811%2912%292-4%289%2910%2Fh5-18H%2C4%2C19-20H2%2C1-3H3%3B13H%2C1-2H2%2C%28H%2C7%2C8%29%28H%2C9%2C10%29%28H%2C11%2C12%29, 0.0, 5.87181329727173 5.87181329727173, 4.37107086181641, -0.0304953325539827, 5.0, 1.0, 0.0, 8.98331069946289 8.98331069946289, 3.02909231185913, 0.08232332020998, 0.0, 0.0, 11.9320545196533 11.9320545196533, -0.464424401521683, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 196.0, -1899346048.0, 2.11240673065186 2.11240673065186, 0.0, 5.06527709960938, 0.0, 0.0, 2.71282863616943 2.71282863616943, 0.0, 7.00000013509339e-09, 0.0, 37.1882095336914, 0.0, 0.0, 2.86320686340332 2.86320686340332, 0.0, 19.4005107879639, 0.0, 0.0, 0.0, 0.0, 13.2598714828491, 0.287457466125488, 0.0, 4.0, 0.0, 0.22488921880722, 23.4874992370605, 0.0919278040528297, 13.0778617858887, 0.0573041327297688, , 0.0, 1.35481774806976, 0.0, 9.59304046630859, 0.0, 7.71519626141526e-06, 0.0, 0.0559016987681389, 0.0, 0.0, 6.07570314407349, 0.0, 0.144915819168091, 0.0, 4.06249761581421, 3.0, 0.0102062076330185, 0.0, 2.54186320304871, 0.0, 0.0, 0.0, 0.0, 1.28084182739258, 0.0, 144.600006103516, 0.0, 0.767329394817352, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 47.5557403564453, 4.0, 0.0, 45.4873847961426, 0.0, 0.0, 363999985664.0, 0.454280138015747, 2530.78100585938, 5.0, 0.0, 62.4746971130371, 1.08808624744415, 2892.56127929688, 1.0, 0.0, 63.0875091552734, 0.0, 0.0, 0.0, 0.0, 0.00784027203917503, 3881.04809570312, 68.2454376220703, 6.35755205154419, 57.0, 4088.10693359375, 0.0, 4601.08984375, 3.00000002617651e-09, 3978.99487304688, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.0, 0.0, 30.4156379699707, 0.0, 0.0, 0.999000012874603, 19.462251663208, 0.0, 0.0, 0.0, 3.26732397079468, 0.0, 17.5558624267578, 0.0, 0.144337564706802, 0.0, 0.0, 12.3878402709961, 0.777099251747131, 0.0, 0.0, 0.0, 10.1817960739136, 14.0, 0.0, 0.974939525127411, 0.144337564706802, 1.68314684856341e-07, 0.0, 3.0, -0.359368443489075, 1.0, 7.6693377494812, 0.0, 0.0, 0.0
InChI%3D1S%2FC37H36N2O9S3.2Na%2Fc1-3-38%2825-27-7-5-9-35%2823-27%2950%2843%2C44%2945%2932-17-11-29%2812-18-32%2937%2831-15-21-34%2822-16-31%2949%2840%2C41%2942%2930-13-19-33%2820-14-30%2939%284-2%2926-28-8-6-10-36%2824-28%2951%2846%2C47%2948%3B%3B%2Fh5-24H%2C3-4%2C25-26H2%2C1-2H3%2C%28H2-%2C40%2C41%2C42%2C43%2C44%2C45%2C46%2C47%2C48%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2, 0.0, 10.0041255950928 10.0041255950928, 7.91806697845459, 0.0999069884419441, 4.0, 0.0, 0.0, 13.6474103927612 13.6474103927612, 6.58596801757812, -0.0165324024856091, 0.0, 0.0, 17.6677513122559 17.6677513122559, -0.0502932146191597, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 272.0, -1669149824.0, 3.48805046081543 3.48805046081543, 0.0, 3.39011836051941, 3.0, 0.0, 4.52977561950684 4.52977561950684, 0.0, 0.0, 0.0, 47.3758659362793, 0.0, 0.0, 5.0957407951355 5.0957407951355, 0.100000001490116, 20.6145401000977, 0.0, 0.0, 0.0, 0.0, 13.0, 0.416666656732559, 0.0, 0.0, 0.0, 0.483413755893707, 28.0805721282959, 0.138888895511627, 17.6124134063721, 0.185273990035057, , 9.47722816467285, 1.6795015335083, 0.0, 13.3460292816162, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.89478397369385, 0.0, 0.230952531099319, 0.0, 6.8857159614563, 2.0, 0.0, 0.0, 4.82834339141846, 0.0, 0.0, 0.0, 0.0, 2.9035587310791, 0.0, 202.990005493164, 0.0, 2.0404360294342, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 84.4010238647461, 4.0, 0.0, 84.0140609741211, 0.0, 0.0, 103000014848.0, 0.0714285746216774, 4393.30859375, 3.0, 0.0, 102.307243347168, 6.44281196594238, 5144.4716796875, 0.0, 0.0, 102.32585144043, 0.0, 0.0, 0.0, 0.0, 2.87610626220703, 7317.5322265625, 99.3236923217773, 6.72792053222656, 85.0, 7740.46240234375, 0.0, 5165.16015625, 0.0, 7469.5791015625, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 20.0, 0.0, 36.9761161804199, 0.0, 0.0, 0.999000012874603, 24.0613613128662, 4.0, 0.0, 0.0, 6.21711492538452, 0.0, 23.9040203094482, 0.0, 0.866025388240814, 0.0, 0.0, 17.9319324493408, 1.63237142562866, 47.9925193786621, 0.0, 0.0, 14.3518753051758, 16.0, 0.0, 0.98680704832077, 0.433012694120407, 0.0, 0.0, 6.0, -0.537699580192566, 1.0, 11.8503341674805, 0.0, 0.0, 0.0
InChI%3D1S%2FC5H12N2S%2Fc1-3-6-5%288%297-4-2%2Fh3-4H2%2C1-2H3%2C%28H2%2C6%2C7%2C8%29, 0.0, 0.40824830532074 0.40824830532074, 0.144337564706802, 0.0761703252792358, 2.0, 0.0, 0.0, 0.55258584022522 0.55258584022522, 0.0, -0.0414497964084148, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.00137381989043206, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 28.0, 61.0, 0.212132036685944 0.212132036685944, 0.0, 0.0, 0.0, 0.0, 0.287132024765015 0.287132024765015, 0.0, 0.0, 0.0, 8.0, 0.0, 0.0, 0.150000005960464 0.150000005960464, 0.0, 5.14285707473755, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.20306777954102, 0.0, 3.22842192649841, 0.0, , 0.0, 0.150000005960464, 0.0, 1.75188529491425, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.94230729341507, 0.0, 0.0, 0.0, 0.663318455219269, 2.0, 0.0, 0.0, 0.111803397536278, 0.0, 0.0, 0.0, 0.0, 0.0559016987681389, 0.0, 63.189998626709, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.847728729248, 0.0, 0.0, 9.33452606201172, 0.0, 0.0, 75.0, 0.16666667163372, 408.538940429688, 1.0, 0.0, 11.9192867279053, 1.78885436058044, 389.878051757812, 0.0, 0.0, 9.67194080352783, 0.0, 0.0, 0.0, 0.0, 0.666666686534882, 381.724670410156, 8.67194080352783, 4.0, 6.0, 302.373962402344, 1.0, 305.029998779297, 0.0, 205.165328979492, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 6.40577745437622, 0.0, 0.0, 0.5, 3.80806040763855, 0.0, 1.0, 0.0, 0.288675129413605, 1.0, 2.68252205848694, 0.0, 0.0, 0.25, 0.0, 1.56294882297516, 0.0, 1.0, 0.0, 0.0, 1.12993609905243, 0.0, 0.0, 0.146802678704262, 0.0, 0.0, 0.0, 0.0, -0.115468233823776, 0.0, 0.288675129413605, 0.0, 0.0, 0.0
InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2, 0.0, 0.0 0.0, 0.0, 0.0174320582300425, 1.0, 0.0, 2.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 6.0, 6.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.97489356994629, 0.0, 1.60356748104095, 0.0, , 0.0, 0.0, 0.0, 0.909137308597565, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.4255065917969, 0.0, 0.0, 5.90347480773926, 0.0, 0.0, 4.0, 0.0, 91.8749542236328, 0.0, 0.0, 8.71275329589844, 0.0, 64.7898406982422, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 24.6561908721924, 0.0, 2.58496260643005, 0.0, 0.0, 0.0, 10.0200004577637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.70710682868958, 0.0, 0.0, 0.5, 1.41421353816986, 0.0, 0.0, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.104592353105545, 0.0, 0.0, 0.0, 0.0, -0.0697282329201698, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC11H24N2O%2Fc1-3-4-5-6-7-8-9-10-11-13%282%2912-14%2Fh3-11H2%2C1-2H3, 0.0, 0.492799282073975 0.492799282073975, 0.738626778125763, 0.0339780114591122, 9.0, 0.0, 0.0, 0.348461717367172 0.348461717367172, 0.459787994623184, -0.0256960652768612, 0.0, 0.0, 0.246399641036987 0.246399641036987, -0.00233474373817444, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 52.0, 237.0, 0.157735019922256 0.157735019922256, 0.0, 0.0, 0.0, 0.0, 0.111535504460335 0.111535504460335, 0.0, 0.0, 0.0, 14.0, 0.0, 0.0, 0.0788675099611282 0.0788675099611282, 0.0, 11.0769233703613, 0.0, 0.0, 0.0, 0.0, 11.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.66663646697998, 0.0, 5.85312223434448, 0.0, , 0.0, 0.141421362757683, 0.0, 3.93777942657471, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.47465872764587, 0.0, 0.0, 0.0, 1.51533627510071, 2.0, 0.0, 0.0, 0.946504533290863, 0.0, 0.0, 0.0, 0.0, 0.58089143037796, 0.0, 32.6699981689453, 0.0, 0.348252266645432, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 15.4944448471069, 0.0, 0.0, 14.2458248138428, 0.0, 0.0, 435.0, 0.0909090936183929, 615.350280761719, 0.0, 0.0, 14.0520219802856, 3.81913924217224, 600.62890625, 0.0, 0.0, 12.9965543746948, 0.0, 0.0, 0.0, 0.0, 0.0, 588.972717285156, 10.6644620895386, 4.80735492706299, 12.0, 529.642578125, 0.0, 1187.03002929688, 0.0, 458.259735107422, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 8.0, 0.0, 10.6484184265137, 0.0, 0.0, 0.5, 6.80806064605713, 0.0, 0.0, 0.0, 0.288675129413605, 1.0, 4.77696895599365, 0.0, 0.0, 13.1851243972778, 0.0, 3.24740028381348, 0.0, 0.0, 0.0, 0.0, 1.83080685138702, 0.0, 0.0, 0.0618683211505413, 0.0, 0.0, 0.0, 1.0, -0.0366798937320709, 1.0, 1.16957592964172, 0.0, 0.0, 0.0
InChI%3D1S%2FC13H14O5%2Fc1-5-7%283%2918-4-8-9%285%296%282%2911%2814%2910%2812%288%2915%2913%2816%2917%2Fh4-5%2C7%2C15H%2C1-3H3%2C%28H%2C16%2C17%29%2Ft5-%2C7%3F%2Fm0%2Fs1, 0.0, 4.52908420562744 4.52908420562744, 2.70922517776489, 0.047598984092474, 0.0, 1.0, 0.0, 7.65756464004517 7.65756464004517, 1.80700981616974, -0.352221667766571, 0.0, 0.0, 11.6955518722534 11.6955518722534, 0.333580881357193, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 96.0, 217.0, 1.86646020412445 1.86646020412445, 0.0, 1.6836930513382, 0.0, 0.0, 2.5175359249115 2.5175359249115, 0.0, 0.737787961959839, 0.0, 14.4099721908569, 0.0, 0.0, 3.26532411575317 3.26532411575317, 0.0, 5.17479181289673, 0.0, 0.0, 0.0, 0.0, 2.28435444831848, 0.0925925895571709, 0.0, 2.0, 0.0, 0.35532808303833, 10.3512229919434, 0.0352668538689613, 5.64225053787231, 0.113771855831146, , 16.5081443786621, 0.787163257598877, 0.0, 4.55796098709106, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.5276300907135, 0.0, 0.246422797441483, 0.0, 2.31400442123413, 3.0, 0.0, 0.0, 1.48779630661011, 0.0, 0.0, 0.0, 0.0, 0.770514667034149, 0.0, 83.8300018310547, 0.0, 0.429401069879532, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 21.8723449707031, 1.0, 0.0, 20.9925518035889, 0.0, 0.0, 526.0, 0.766309440135956, 1252.91381835938, 7.0, 0.0, 32.763298034668, 0.825481832027435, 1514.37438964844, 0.0, 0.0, 39.9813804626465, 0.0, 0.0, 0.0, 0.0, 8.84905338287354, 2256.10961914062, 39.9677352905273, 5.16992521286011, 35.0, 2468.82983398438, 0.0, 783.049987792969, 0.0, 1913.6337890625, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 1.0, 0.0, 13.6103658676147, 0.0, 0.0, 0.5, 8.35794830322266, 1.0, 0.0, 0.0, 1.69714093208313, 0.0, 8.05367279052734, 2.0, 0.0, 0.0, 0.0, 7.05027866363525, 0.738833427429199, 3.63971734046936, 0.0, 0.0, 5.84164619445801, 0.0, 0.0, 0.537855923175812, 0.0, 0.0, 0.0, 2.0, -0.184703320264816, 0.0, 4.27511739730835, 0.0, 0.0, 0.0
InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2, 0.0, 0.0 0.0, 0.0, -0.0497880317270756, 2.0, 0.0, 2.0, 0.0 0.0, 0.0, 0.0248940158635378, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 10.0, 14.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.68200039863586, 0.0, 2.10356736183167, 0.0, , 0.0, 0.0, 0.0, 1.13389337062836, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.642857134342194, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.4255065917969, 0.0, 0.0, 6.90347480773926, 0.0, 0.0, 10.0, 0.0, 144.702377319336, 0.0, 0.0, 5.90347480773926, 0.0, 115.754745483398, 0.0, 0.0, 8.71275329589844, 0.0, 0.0, 0.0, 0.0, 0.0, 69.4671401977539, 0.0, 3.0, 1.0, 26.0635776519775, 0.0, 37.0200004577637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.41421365737915, 0.0, 0.0, 0.333333343267441, 1.91421353816986, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0995760634541512, 0.0, 0.0, 0.0, 0.0, -0.0248940158635378, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H5Br2Cl%2Fc4-1-3%285%292-6%2Fh3H%2C1-2H2, 0.0, 0.577350258827209 0.577350258827209, 0.0, -0.0550944581627846, 2.0, 0.0, 1.0, 0.288675129413605 0.288675129413605, 0.0, -0.00328892027027905, 0.0, 0.0, 0.0 0.0, 0.0205029882490635, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 20.0, 29.0, 1.75631833076477 1.75631833076477, 0.0, 0.0, 0.0, 0.0, 1.26254642009735 1.26254642009735, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0 0.0, 0.0, 3.20000004768372, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.05337905883789, 0.0, 4.14090394973755, 0.0, , 0.0, 0.566946685314178, 0.0, 3.15693640708923, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.37808275222778, 0.0, 0.0, 0.0, 0.642857134342194, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 100.228935241699, 0.0, 0.0, 18.2570877075195, 0.0, 0.0, 31.0, 0.0, 433.149627685547, 0.0, 0.0, 23.9097633361816, 0.0, 403.634490966797, 0.0, 0.0, 73.4994583129883, 0.0, 0.0, 0.0, 0.0, 0.0, 368.651885986328, 19.6369514465332, 3.58496260643005, 4.0, 222.678283691406, 0.0, 70.0299987792969, 0.0, 43.3590660095215, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 4.99156379699707, 2.0, 0.0, 0.5, 2.80806040763855, 0.0, 0.0, 0.0, 0.288675129413605, 0.0, 1.92166829109192, 1.0, 0.0, 0.5, 0.0, 1.39384686946869, 0.0, 2.0, 0.0, 0.0, 0.288675129413605, 0.0, 0.0, 0.116667233407497, 0.0, 0.0, 0.0, 0.0, -0.0204532295465469, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H6N4O4%2Fc7-6%2811%299-8-3-4-1-2-5%2814-4%2910%2812%2913%2Fh1-3H%2C%28H3%2C7%2C9%2C11%29%2Fb8-3-, 0.0, 1.7140154838562 1.7140154838562, 1.31662976741791, -0.135763257741928, 0.0, 0.0, 0.0, 1.81269025802612 1.81269025802612, 0.619699478149414, 0.24694661796093, 0.0, 0.0, 1.80959224700928 1.80959224700928, -0.077753022313118, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 64.0, 194.0, 0.265279024839401 0.265279024839401, 0.0, 0.550321221351624, 0.0, 0.0, 0.263820767402649 0.263820767402649, 0.0, 0.793700516223907, 0.0, 12.0714282989502, 0.0, 0.0, 0.180461868643761 0.180461868643761, 0.0, 5.77777767181396, 0.117851130664349, 0.0, 0.0, 0.0, 4.3878116607666, 0.151374712586403, 0.0340206921100616, 1.0, 0.0, 0.243120849132538, 6.79843664169312, 0.0348563715815544, 3.40177464485168, 0.0299908090382814, , 0.825481832027435, 0.213915511965752, 0.0, 2.15172076225281, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.15478324890137, 0.0, 0.00878410506993532, 0.0, 0.666757762432098, 0.0, 0.0, 0.0, 0.310281664133072, 0.0, 0.0, 0.0, 0.0, 0.150962010025978, 0.0, 127.430000305176, 0.0, 0.0548231154680252, 0.0, 0.816496610641479, 0.0, 0.0, 0.0, 0.125, 18.5378284454346, 0.0, 0.0, 17.1279373168945, 0.0, 0.0, 356.0, 0.0, 505.751129150391, 1.0, 0.0, 23.1200561523438, 0.0, 551.054260253906, 0.0, 0.0, 18.344783782959, 0.0, 0.0, 0.0, 0.0, 0.0, 680.2373046875, 15.0448522567749, 4.80735492706299, 14.0, 504.855743408203, 0.0, 218.080001831055, 0.0, 423.690490722656, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 1.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.365148365497589, 3.0, 0.0, 10.5520420074463, 0.0, 0.0, 0.444444447755814, 6.59222412109375, 1.0, 1.0, 0.0, 1.11237239837646, 1.0, 6.00792503356934, 0.0, 0.0, 1.65096366405487, 0.0, 3.91844439506531, 0.16666667163372, 4.14186000823975, 0.0, 0.0, 2.79609513282776, 2.0, 0.0, 0.42872342467308, 0.0, 0.0, 1.0, 2.0, -0.199100345373154, 0.0, 1.77061343193054, 0.0, 0.0, 0.0
InChI%3D1S%2FC11H16N4O4%2Fc1-7%2815-5-10%2818%2913-11%2819%296-15%292-14-3-8%2816%2912-9%2817%294-14%2Fh7H%2C2-6H2%2C1H3%2C%28H%2C12%2C16%2C17%29%28H%2C13%2C18%2C19%29, 0.0, 2.63327074050903 2.63327074050903, 2.44917297363281, -0.170482099056244, 5.0, 0.0, 0.0, 4.57292652130127 4.57292652130127, 1.25442743301392, 0.462480068206787, 0.0, 0.0, 5.694504737854 5.694504737854, -0.213242620229721, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 96.0, 291.0, 1.19497644901276 1.19497644901276, 0.0, 0.873580455780029, 0.0, 0.0, 1.54486119747162 1.54486119747162, 0.0, 0.0, 0.0, 15.3900003433228, 0.0, 0.0, 1.71106326580048 1.71106326580048, 0.333333343267441, 6.63520431518555, 0.0, 0.0, 0.0, 0.0, 4.5, 0.136082768440247, 0.0, 2.0, 0.0, 0.359561771154404, 10.6126623153687, 0.0500000007450581, 5.98903894424438, 0.0748845189809799, , 2.4317479133606, 0.740308344364166, 0.0, 4.76716613769531, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.06004285812378, 0.0, 0.0912870913743973, 0.0, 2.21769833564758, 1.0, 0.0, 0.0, 1.34047949314117, 0.0, 0.0, 0.0, 0.0, 0.684873938560486, 0.0, 105.800003051758, 0.0, 0.350239515304565, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.5378284454346, 0.0, 0.0, 22.9902210235596, 0.0, 0.0, 736.0, 0.0, 1052.115234375, 4.0, 0.0, 33.3702697753906, 1.61098504066467, 1202.4677734375, 0.0, 0.0, 30.7883815765381, 0.0, 0.0, 0.0, 0.0, 1.50854408740997, 1613.90515136719, 29.2027854919434, 5.24792766571045, 26.0, 1517.48828125, 0.0, 954.080017089844, 0.0, 1289.59252929688, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.111111111938953, 0.0, 0.0, 0.942809045314789, 1.0, 0.0, 13.9911994934082, 0.0, 0.0, 0.444444447755814, 8.93556118011475, 0.0, 0.0, 0.0, 1.76119363307953, 2.0, 8.67399120330811, 1.0, 0.0, 3.19577169418335, 0.0, 6.00097322463989, 0.117851130664349, 8.39470863342285, 0.0, 0.0, 5.49814510345459, 0.0, 0.0, 0.754148125648499, 0.0, 0.0, 0.0, 2.0, -0.441522210836411, 2.0, 3.642009973526, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H8N2O3%2Fc1-12-7-3-2-5%289%2810%2911%294-6%287%298%2Fh2-4H%2C8H2%2C1H3, 0.0, 2.0572657585144 2.0572657585144, 1.11081850528717, -0.0367883741855621, 0.0, 1.0, 0.0, 2.41016173362732 2.41016173362732, 0.659777402877808, 0.0276313796639442, 0.0, 0.0, 2.78176879882812 2.78176879882812, -0.112315118312836, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 56.0, 122.0, 0.468979686498642 0.468979686498642, 0.0, 0.5, 0.0, 0.0, 0.492851674556732 0.492851674556732, 0.0, 0.333333343267441, 0.0, 10.0833330154419, 0.0, 0.0, 0.419251322746277 0.419251322746277, 0.0, 4.296875, 0.0, 0.0, 0.0, 0.0, 2.49307489395142, 0.0680413842201233, 0.0, 0.0, 0.0, 0.155437618494034, 6.48135948181152, 0.0240562614053488, 3.22783660888672, 0.0344681032001972, , 1.65096366405487, 0.254062294960022, 1.0, 2.18336296081543, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.42410337924957, 0.0, 0.0320644564926624, 0.0, 0.835311770439148, 1.0, 0.0, 0.0, 0.449176132678986, 0.0, 0.0, 0.0, 0.0, 0.1983472853899, 0.0, 81.0699996948242, 0.0, 0.0748451724648476, 0.0, 0.0, 0.0, 0.0, 0.0, 0.25, 15.0433835983276, 0.0, 0.0, 14.1034860610962, 0.0, 0.0, 198.0, 0.0, 509.045867919922, 0.0, 0.0, 18.767578125, 0.825481832027435, 566.900573730469, 0.0, 0.0, 19.2107582092285, 0.0, 0.0, 0.0, 0.0, 0.965489387512207, 733.18359375, 13.519003868103, 4.58496236801147, 16.0, 662.680236816406, 0.0, 268.049987792969, 0.0, 380.175262451172, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 9.13782787322998, 0.0, 0.0, 0.428571432828903, 5.64706563949585, 0.0, 0.0, 0.0, 0.902368903160095, 0.0, 4.96276092529297, 0.0, 0.0, 1.65096366405487, 0.0, 3.85470700263977, 0.284517794847488, 5.85380077362061, 0.0, 0.0, 2.71250510215759, 3.0, 0.0, 0.272781133651733, 0.0, 0.0, 0.0, 2.0, -0.084908053278923, 0.0, 1.84423387050629, 0.0, 0.0, 0.0
InChI%3D1S%2FC14H15N3O2%2Fc1-14%282%299-7-8%283-4-11%289%2915-13%2814%2919%2910-5-6-12%2818%2917-16-10%2Fh3-4%2C7H%2C5-6H2%2C1-2H3%2C%28H%2C15%2C19%29%28H%2C17%2C18%29, 0.0, 4.78787231445312 4.78787231445312, 3.29300928115845, 0.0056139356456697, 2.0, 0.0, 0.0, 6.47844696044922 6.47844696044922, 2.22371411323547, -0.00801127310842276, 0.0, 0.0, 8.81505870819092 8.81505870819092, -0.00414424389600754, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 106.0, 318.0, 2.01556134223938 2.01556134223938, 0.0, 0.100000001490116, 0.0, 0.0, 2.32158160209656 2.32158160209656, 0.0, 0.0, 0.0, 13.9591836929321, 0.0, 0.0, 2.55993604660034 2.55993604660034, 0.0, 5.080078125, 0.0680413842201233, 1.0, 0.0, 0.0, 2.49215793609619, 0.451723903417587, 0.0279508493840694, 2.0, 0.0, 0.84148120880127, 10.8823328018188, 0.149732828140259, 6.23678159713745, 0.217131838202477, , 4.84204006195068, 1.16981947422028, 0.0, 5.35526037216187, 0.0, 2.55426740646362, 0.0, 0.125, 0.0, 0.0, 3.6600444316864, 0.0, 0.289323776960373, 0.0, 2.33828783035278, 2.0, 0.0610843934118748, 0.0, 1.62004220485687, 0.0, 0.0, 0.0, 0.0, 0.909026682376862, 0.0, 77.5400009155273, 0.0, 0.532613396644592, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 21.6289024353027, 2.0, 0.0, 22.6889133453369, 0.0, 0.0, 683.0, 0.5, 1299.49353027344, 3.0, 0.0, 35.1005973815918, 2.08794903755188, 1559.37512207031, 1.0, 0.0, 35.7095947265625, 0.0, 0.0, 0.0, 0.0, 3.40380263328552, 2310.90380859375, 23.8272018432617, 5.24792766571045, 32.0, 2188.41674804688, 0.0, 954.049987792969, 2.0, 1552.19787597656, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.863054394721985, 1.0, 0.0, 0.0, 6.0, 0.0, 13.6209554672241, 0.0, 0.0, 0.5, 8.98120021820068, 0.0, 0.0, 0.0, 2.02133393287659, 3.0, 8.91777420043945, 0.0, 0.16666667163372, 3.76916909217834, 0.0, 7.64322423934937, 0.836019217967987, 11.6942844390869, 0.0, 0.0, 5.76789236068726, 3.0, 0.0, 0.272982448339462, 0.185892507433891, 1.34123075008392, 0.0, 0.0, -0.1089703515172, 0.0, 4.83702182769775, 0.0, 0.0, 0.0
InChI%3D1S%2FCHBr3%2Fc2-1%283%294%2Fh1H, 0.0, 0.0 0.0, 0.0, 0.0244095642119646, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 12.0, 9.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.33333337306976, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 6.46923351287842, 0.0, 3.40168023109436, 0.0, , 0.0, 4.37358903884888, 0.0, 6.68076753616333, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 133.774276733398, 0.0, 0.0, 19.9580268859863, 0.0, 0.0, 9.0, 0.0, 347.385314941406, 0.0, 0.0, 132.774276733398, 0.0, 296.05615234375, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 204.55891418457, 0.0, 3.0, 0.0, 0.0, 0.0, 4.03000020980835, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.5773503780365, 3.0, 0.0, 0.5, 1.73205077648163, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 1.73205077648163, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0976382568478584, 0.0, 0.0, 0.0, 0.0, -0.073228694498539, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H9O3P%2Fc1-5-7%283%2C4%296-2%2Fh1-3H3, 0.0, 1.70710682868958 1.70710682868958, 0.0, 0.242875069379807, 0.0, 2.0, 0.0, 1.0 1.0, 0.0, -0.152551680803299, 0.0, 0.0, 0.0 0.0, 0.0344540998339653, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 28.0, 34.0, 0.538770139217377 0.538770139217377, 0.0, 0.0, 0.0, 0.0, 0.248858496546745 0.248858496546745, 0.0, 1.0, 0.0, 7.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.34375, 0.0, 0.0, 1.0, 0.0, 2.66666674613953, 0.0, 0.0, 0.0, 0.0, 0.0, 4.89590072631836, 0.0, 2.30964756011963, 0.0, , 0.0, 0.381244421005249, 0.0, 1.70556962490082, 0.0, 0.0, 0.0, 0.0456663854420185, 0.0, 0.0, 0.995433986186981, 0.0, 0.0, 0.0, 0.11185934394598, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 45.3400001525879, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.9738206863403, 0.0, 0.0, 15.5487785339355, 0.5, 0.0, 44.0, 0.908560276031494, 111.335556030273, 0.0, 0.0, 14.4773626327515, 0.0, 106.816329956055, 0.0, 0.0, 7.32836771011353, 0.0, 0.0, 0.0, 0.0, 0.0, 121.275115966797, 1.0, 3.80735492706299, 6.0, 81.895637512207, 0.0, 183.039993286133, 0.0, 14.3390026092529, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.91421365737915, 0.0, 0.0, 0.5, 3.12132024765015, 0.0, 0.0, 0.0, 1.20710682868958, 0.0, 2.87132024765015, 0.0, 0.25, 0.0, 0.0, 1.91421353816986, 0.0, 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.423558920621872, 0.0, 0.0, 0.0, 1.0, -0.336556941270828, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-4-10-14%2812%2911%286-3-9%295-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29, 0.0, 2.18041300773621 2.18041300773621, 1.22888016700745, 0.344842195510864, 7.0, 1.0, 2.0, 3.33692455291748 3.33692455291748, 0.650524497032166, -0.114247798919678, 0.0, 0.0, 4.0737771987915 4.0737771987915, -0.287226319313049, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 64.0, 162.0, 0.898287653923035 0.898287653923035, 0.0, 0.0, 0.0, 0.0, 1.35477447509766 1.35477447509766, 0.0, 0.5, 0.0, 12.0714282989502, 0.0, 0.0, 1.61784827709198 1.61784827709198, 0.0, 5.77777767181396, 0.0, 0.0, 1.0, 0.0, 3.27272725105286, 0.0721687823534012, 0.0, 0.0, 0.0, 0.174230858683586, 9.65240097045898, 0.0433229357004166, 6.06197643280029, 0.0699819251894951, , 0.0, 0.378565520048141, 0.0, 4.24890756607056, 0.0, 0.0, 0.0, 0.0250125098973513, 0.0, 0.0, 2.88193941116333, 0.0, 0.0862803980708122, 0.0, 2.16484761238098, 0.0, 0.0125062549486756, 0.0, 1.55598962306976, 0.0, 0.0, 0.0, 0.0, 0.758107721805573, 0.0, 51.3800010681152, 0.0, 0.390322476625443, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 37.3448333740234, 0.0, 0.0, 27.6194343566895, 0.0, 0.0, 307.0, 0.0, 641.551086425781, 0.0, 0.0, 32.3978004455566, 0.0, 689.76708984375, 0.0, 0.0, 31.7766342163086, 0.0, 0.0, 0.0, 0.0, 0.0, 855.246337890625, 33.3348693847656, 4.80735492706299, 19.0, 868.334594726562, 0.0, 659.070007324219, 0.0, 701.925476074219, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 1.0, 0.0, 10.4413108825684, 0.0, 0.0, 0.5, 6.72649192810059, 0.0, 1.0, 0.0, 0.946923434734344, 0.0, 5.48896408081055, 0.0, 0.144337564706802, 6.77558326721191, 0.0, 4.27465677261353, 0.27629292011261, 0.0, 0.0, 0.0, 3.22316241264343, 0.0, 0.0, 0.477108985185623, 0.0721687823534012, 0.0, 0.0, 1.0, -0.397071927785873, 1.0, 2.53118348121643, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H12Cl3O4P%2Fc7-1-4-11-14%2810%2C12-5-2-8%2913-6-3-9%2Fh1-6H2, 0.0, 1.43566012382507 1.43566012382507, 0.717830061912537, 0.420245885848999, 6.0, 3.0, 3.0, 2.03033018112183 2.03033018112183, 0.375, -0.0550851002335548, 0.0, 0.0, 2.18566012382507 2.18566012382507, -0.495197027921677, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 56.0, 153.0, 0.290619105100632 0.290619105100632, 0.0, 0.0, 0.0, 0.0, 0.3820461332798 0.3820461332798, 0.0, 1.5, 0.0, 14.0, 0.0, 0.0, 0.454724550247192 0.454724550247192, 0.0, 8.31999969482422, 0.0, 0.0, 1.0, 0.0, 7.03999996185303, 0.0, 0.0, 0.0, 0.0, 0.0, 9.94847011566162, 0.0, 5.86736965179443, 0.0, , 0.0, 0.182665541768074, 0.0, 3.56560683250427, 0.0, 0.0, 0.0, 0.0186432246118784, 0.0, 0.0, 1.8172310590744, 0.0, 0.0, 0.0, 1.13718342781067, 0.0, 0.0, 0.0, 0.808054089546204, 0.0, 0.0, 0.0, 0.0, 0.352955520153046, 0.0, 54.5699996948242, 0.0, 0.190254852175713, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 45.8865509033203, 0.0, 0.0, 29.5924949645996, 1.5, 0.0, 343.0, 0.0, 473.231994628906, 0.0, 0.0, 31.2348213195801, 0.0, 463.309326171875, 0.0, 0.0, 31.5213031768799, 0.0, 0.0, 0.0, 0.0, 0.0, 486.859802246094, 37.8250007629395, 4.80735492706299, 15.0, 494.750061035156, 0.0, 443.079986572266, 0.0, 508.587005615234, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.8639612197876, 0.0, 0.0, 0.5, 6.6819806098938, 0.0, 0.0, 0.0, 0.926776707172394, 0.0, 5.12132024765015, 0.0, 0.176776692271233, 4.17312145233154, 0.0, 3.40165042877197, 0.0, 0.0, 0.0, 0.0, 2.18566012382507, 0.0, 0.0, 0.72691822052002, 0.0, 0.0, 0.0, 1.0, -0.600496709346771, 0.0, 1.81066012382507, 0.0, 0.0, 0.0
InChI%3D1S%2FHI.K%2Fh1H%3B%2Fq%3B%2B1%2Fp-1, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.34520792961121, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 122.235504150391, 0.0, 0.0, 0.0, 0.0, 0.0, 1000000000.0, 0.0, 33.5241012573242, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 2.01999998092651, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.999000012874603, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H9NO%2Fc1-3-4%282%295-6%2Fh6H%2C3H2%2C1-2H3, 0.0, 0.577350258827209 0.577350258827209, 0.0, -0.0113967172801495, 1.0, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.0, -0.00616778479889035, 0.0, 0.0, 0.0 0.0, -0.000403932470362633, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 20.0, 29.0, 0.228824555873871 0.228824555873871, 0.0, 0.0, 0.0, 0.0, 0.0707106813788414 0.0707106813788414, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0 0.0, 0.0, 3.20000004768372, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 1.0, 0.0, 0.0, 4.10153388977051, 0.0, 1.98426699638367, 0.0, , 0.0, 0.15811388194561, 0.0, 1.18882751464844, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.682377934455872, 0.0, 0.0, 0.0, 0.0707106813788414, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 32.5900001525879, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.13445711135864, 0.0, 0.0, 5.719651222229, 0.0, 0.0, 31.0, 0.333333343267441, 184.655426025391, 1.0, 0.0, 5.66446256637573, 1.41421353816986, 168.299468994141, 0.0, 0.0, 4.8303689956665, 0.0, 0.0, 0.0, 0.0, 1.41421353816986, 157.388046264648, 1.33209192752838, 3.58496260643005, 4.0, 99.636474609375, 0.0, 166.020004272461, 0.0, 19.2929401397705, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, 4.99156379699707, 0.0, 0.0, 0.5, 2.80806040763855, 0.0, 0.0, 0.0, 0.288675129413605, 1.0, 1.92166829109192, 0.0, 0.0, 0.0, 0.0, 1.39384686946869, 0.0, 1.0, 0.0, 0.0, 0.288675129413605, 0.0, 0.0, 0.0238622296601534, 0.0, 0.0, 0.0, 0.0, 0.00603731954470277, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC13H9NO2%2Fc15-14%2816%2911-5-6-13-10%288-11%297-9-3-1-2-4-12%289%2913%2Fh1-6%2C8H%2C7H2, 0.0, 2.78042793273926 2.78042793273926, 3.07494831085205, -0.0229604747146368, 1.0, 0.0, 0.0, 4.23468589782715 4.23468589782715, 2.45021033287048, -0.0154758831486106, 0.0, 0.0, 5.81259679794312 5.81259679794312, -0.00115856621414423, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 88.0, 220.0, 1.04035484790802 1.04035484790802, 0.0, 0.5, 0.0, 0.0, 1.51259577274323 1.51259577274323, 0.0, 0.0, 0.0, 11.1111106872559, 0.0, 0.0, 1.74993205070496 1.74993205070496, 0.0, 4.34911251068115, 0.0785674229264259, 0.0, 0.0, 0.0, 1.96604943275452, 0.37359693646431, 0.0441941730678082, 0.0, 0.0, 0.619346439838409, 8.51226902008057, 0.153896108269691, 5.11124610900879, 0.218667790293694, , 5.14592981338501, 0.460265100002289, 0.0, 3.93248343467712, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.98808217048645, 0.0, 0.092181496322155, 0.0, 2.24509572982788, 0.0, 0.0, 0.0, 1.57348430156708, 0.0, 0.0, 0.0, 0.0, 0.917143583297729, 0.0, 45.8199996948242, 0.0, 0.584113776683807, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.9089260101318, 4.0, 0.0, 19.2731170654297, 0.0, 0.0, 414.0, 0.0, 1014.55444335938, 0.0, 0.0, 27.7710227966309, 0.0, 1227.71899414062, 0.0, 0.0, 26.660737991333, 0.0, 0.0, 0.0, 0.0, 0.0, 1790.99194335938, 20.660737991333, 5.0, 25.0, 1619.95275878906, 0.0, 489.029998779297, 0.0, 1134.72314453125, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.0, 0.0, 11.1209554672241, 0.0, 0.0, 0.5, 7.75402021408081, 0.0, 0.0, 0.0, 1.10549890995026, 0.0, 7.18517684936523, 0.0, 0.0, 9.72837352752686, 0.0, 6.14791107177734, 0.358304977416992, 17.1613941192627, 0.0, 0.0, 5.24543619155884, 7.0, 0.0, 0.0652766823768616, 0.0, 0.0, 0.0, 2.0, 0.00701468950137496, 0.0, 4.38310384750366, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H11NO%2Fc1-6-3-4-8%2810-2%297%289%295-6%2Fh3-5H%2C9H2%2C1-2H3, 0.0, 1.40924251079559 1.40924251079559, 0.830066502094269, -0.0425875671207905, 0.0, 1.0, 0.0, 1.94750583171844 1.94750583171844, 0.144337564706802, 0.0604378655552864, 0.0, 0.0, 2.06838130950928 2.06838130950928, -0.0193949155509472, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 46.0, 84.0, 0.464345902204514 0.464345902204514, 0.0, 0.0, 0.0, 0.0, 0.529958724975586 0.529958724975586, 0.0, 0.0, 0.0, 8.10000038146973, 0.0, 0.0, 0.466113746166229 0.466113746166229, 0.0, 3.40828394889832, 0.0, 0.0, 0.0, 0.0, 1.99111115932465, 0.0680413842201233, 0.0, 0.0, 0.0, 0.184195280075073, 6.21764945983887, 0.0240562614053488, 3.1390814781189, 0.0477660782635212, , 1.65096366405487, 0.308925569057465, 1.0, 2.24540448188782, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.3852037191391, 0.0, 0.0196418557316065, 0.0, 0.853774070739746, 2.0, 0.0, 0.0, 0.443124085664749, 0.0, 0.0, 0.0, 0.0, 0.219724088907242, 0.0, 35.25, 0.0, 0.0253119710832834, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.1344566345215, 1.0, 0.0, 10.8303689956665, 0.0, 0.0, 116.0, 0.16666667163372, 493.043334960938, 0.0, 0.0, 13.9965543746948, 2.0800838470459, 535.8583984375, 0.0, 0.0, 13.5500202178955, 0.0, 0.0, 0.0, 0.0, 2.24957680702209, 677.41455078125, 7.83064794540405, 4.32192802429199, 12.0, 567.162963867188, 0.0, 351.019989013672, 0.0, 275.319580078125, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 7.56047773361206, 0.0, 0.0, 0.5, 4.73638200759888, 0.0, 0.0, 0.0, 0.6910440325737, 0.0, 4.06383609771729, 0.0, 0.0, 1.65096366405487, 0.0, 3.13352584838867, 0.117851130664349, 5.85380077362061, 0.0, 0.0, 2.33458280563354, 3.0, 0.0, 0.204444512724876, 0.0, 0.0, 0.0, 0.0, -0.100947596132755, 0.0, 1.39430165290833, 0.0, 0.0, 0.0
InChI%3D1S%2FC10H13NO2%2Fc1-3-13-10-6-4-9%285-7-10%2911-8%282%2912%2Fh4-7H%2C3H2%2C1-2H3%2C%28H%2C11%2C12%29, 0.0, 1.07524120807648 1.07524120807648, 1.10268676280975, 0.0100350882858038, 1.0, 1.0, 0.0, 1.62162148952484 1.62162148952484, 0.840018510818481, -0.00810202583670616, 0.0, 0.0, 1.81219387054443 1.81219387054443, -0.049726065248251, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 58.0, 171.0, 0.300014048814774 0.300014048814774, 0.0, 0.0, 0.0, 0.0, 0.388213247060776 0.388213247060776, 0.0, 0.142857149243355, 0.0, 11.0769233703613, 0.0, 0.0, 0.347315818071365 0.347315818071365, 0.0, 5.671875, 0.0, 0.0, 0.0, 0.0, 4.15224933624268, 0.0833333358168602, 0.0, 1.0, 0.0, 0.117851130664349, 7.81918334960938, 0.0277777779847383, 4.19209384918213, 0.0237628296017647, , 0.965489387512207, 0.242576986551285, 0.0, 2.58593082427979, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.43862783908844, 0.0, 0.0, 0.0, 0.970399975776672, 2.0, 0.0, 0.0, 0.568886876106262, 0.0, 0.0, 0.0, 0.0, 0.235598087310791, 0.0, 41.8199996948242, 0.0, 0.141670480370522, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.9089260101318, 0.0, 0.0, 14.3286466598511, 0.0, 0.0, 280.0, 0.111111111938953, 611.956970214844, 1.0, 0.0, 18.3803901672363, 2.45063710212708, 656.833068847656, 0.0, 0.0, 15.3286466598511, 0.0, 0.0, 0.0, 0.0, 1.61887037754059, 801.6083984375, 13.1624612808228, 4.70043992996216, 14.0, 702.356567382812, 0.0, 520.030029296875, 0.0, 530.594482421875, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 9.68179798126221, 0.0, 0.0, 0.444444447755814, 6.21954536437988, 0.0, 0.0, 0.0, 0.816496610641479, 1.0, 5.30497550964355, 0.0, 0.0, 4.25141477584839, 0.0, 3.46798777580261, 0.0, 6.74402570724487, 0.0, 0.0, 2.83077645301819, 4.0, 0.0, 0.311650216579437, 0.0, 0.0, 0.0, 0.0, -0.161954447627068, 0.0, 2.06282901763916, 0.0, 0.0, 0.0
InChI%3D1S%2FC35H45Cl2NO6%2Fc1-33-14-12-26%2839%2920-24%2833%298-11-27-28-13-15-35%2843%2C34%2828%2C2%2921-29%2840%2932%2827%2933%2930%2841%2922-44-31%2842%295-3-4-23-6-9-25%2810-7-23%2938%2818-16-36%2919-17-37%2Fh6-7%2C9-10%2C12%2C14%2C20%2C27-29%2C32%2C40%2C43H%2C3-5%2C8%2C11%2C13%2C15-19%2C21-22H2%2C1-2H3%2Ft27%3F%2C28-%2C29-%2C32%2B%2C33-%2C34%3F%2C35-%2Fm0%2Fs1, 0.0, 10.575098991394 10.575098991394, 8.4569091796875, -0.219470143318176, 13.0, 1.0, 2.0, 17.9087390899658 17.9087390899658, 6.21558332443237, 0.23560830950737, 0.0, 0.0, 26.2441005706787 26.2441005706787, -0.0485673546791077, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 240.0, 1757.0, 6.50152826309204 6.50152826309204, 0.0, 1.43938672542572, 0.0, 0.0, 10.8333721160889 10.8333721160889, 0.0, 1.09162104129791, 0.0, 35.3107643127441, 0.0, 0.0, 14.6406936645508 14.6406936645508, 0.0, 14.6319446563721, 0.0721687823534012, 2.0, 0.0, 0.0, 6.95155715942383, 0.508357048034668, 0.0721687823534012, 2.0, 0.0, 1.22368335723877, 27.2856616973877, 0.366010159254074, 17.0294246673584, 0.80411422252655, , 8.10690975189209, 2.52933573722839, 0.0, 14.3354663848877, 0.0, 7.92202663421631, 0.0, 0.224923878908157, 0.0, 0.0, 11.668119430542, 0.0, 1.06487166881561, 0.0, 9.41854858398438, 2.0, 0.272967100143433, 0.0, 6.94144344329834, 0.0, 0.0, 0.0, 0.0, 4.91856336593628, 0.0, 104.139999389648, 0.0, 3.38395380973816, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 64.4323120117188, 5.0, 0.0, 54.7266731262207, 0.0, 0.0, 8301.0, 0.16666667163372, 3620.32958984375, 4.0, 0.0, 81.3277893066406, 5.09344291687012, 4396.54541015625, 3.0, 0.0, 97.0793228149414, 0.0, 0.0, 0.0, 0.0, 4.04143524169922, 6668.5380859375, 96.7215347290039, 6.45943164825439, 85.0, 7427.69482421875, 0.0, 6757.08984375, 2.31898379325867, 6595.490234375, 2.0, 0.0, 0.0, 0.0, 0.0, 1.10520946979523, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 7.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 14.0, 0.0, 31.7000961303711, 0.0, 0.0, 0.5, 20.9625301361084, 3.0, 0.0, 0.0, 3.996497631073, 0.0, 19.643497467041, 4.0, 0.321975260972977, 0.0, 0.0, 17.206615447998, 1.86477935314178, 31.6506214141846, 0.0, 0.0, 14.3236303329468, 4.0, 0.0, 0.893446266651154, 0.55756676197052, 9.53602313995361, 0.0, 3.0, -0.343497186899185, 1.0, 11.5602998733521, 0.0, 0.0, 0.0
InChI%3D1S%2FC5H12O%2Fc1-5%282%2C3%296-4%2Fh1-4H3, 0.0, 1.06066012382507 1.06066012382507, 0.0, -0.0128095149993896, 0.0, 1.0, 0.0, 0.353553384542465 0.353553384542465, 0.0, 0.0154554387554526, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 24.0, 24.0, 0.61237245798111 0.61237245798111, 0.0, 0.0, 0.0, 0.0, 0.20412415266037 0.20412415266037, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.63265311717987, 0.0, 0.0, 0.0, 0.0, 5.33333349227905, 0.0, 0.0, 0.0, 0.0, 0.0, 4.90824842453003, 0.0, 2.11237239837646, 0.0, , 0.0, 1.11237239837646, 0.0, 2.31649661064148, 0.0, 0.0, 0.0, 0.20412415266037, 0.0, 0.0, 0.61237245798111, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.22999954223633, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.77446889877319, 1.0, 0.0, 5.66418409347534, 0.0, 0.0, 28.0, 2.44948983192444, 208.438781738281, 0.0, 0.0, 7.99627590179443, 0.0, 198.32487487793, 1.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 230.946090698242, 0.0, 3.58496260643005, 3.0, 79.263427734375, 0.0, 259.010009765625, 3.36358571052551, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.207106590271, 0.0, 0.0, 0.333333343267441, 2.56066012382507, 0.0, 0.0, 0.0, 1.56066012382507, 0.0, 2.91421365737915, 0.0, 0.353553384542465, 0.0, 0.0, 1.06066012382507, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.168171614408493, 0.0, 0.0, 0.0, 0.0, -0.0867317318916321, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC5H11N3O3%2Fc1-2-6-5%2810%298%287-11%293-4-9%2Fh9H%2C2-4H2%2C1H3%2C%28H%2C6%2C10%29, 0.0, 1.06903564929962 1.06903564929962, 0.284517794847488, 0.112496584653854, 3.0, 0.0, 0.0, 1.49162459373474 1.49162459373474, 0.0833333358168602, -0.0670111775398254, 0.0, 0.0, 1.38388347625732 1.38388347625732, -0.105968192219734, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 42.0, 103.0, 0.225358620285988 0.225358620285988, 0.0, 0.646330416202545, 0.0, 0.0, 0.234326258301735 0.234326258301735, 0.0, 0.0, 0.0, 11.0, 0.0, 0.0, 0.170290693640709 0.170290693640709, 0.0, 6.69421482086182, 0.0, 0.0, 0.0, 0.0, 4.44444465637207, 0.0, 0.0, 2.0, 0.0, 0.0, 6.2656364440918, 0.0, 3.20918464660645, 0.0, , 0.0, 0.115432038903236, 0.0, 1.70274019241333, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.940762579441071, 0.0, 0.0141421351581812, 0.0, 0.495105147361755, 1.0, 0.0, 0.0, 0.192866832017899, 0.0, 0.0, 0.0, 0.0, 0.0640766695141792, 0.0, 85.4899978637695, 0.0, 0.0158113874495029, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.4033708572388, 0.0, 0.0, 12.2423791885376, 0.0, 0.0, 172.0, 0.0, 377.940277099609, 1.0, 0.0, 14.017219543457, 0.965489387512207, 384.403167724609, 0.0, 0.0, 15.2938442230225, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 420.789245605469, 14.708324432373, 4.45943164825439, 12.0, 404.566558837891, 0.0, 331.059997558594, 0.0, 312.366851806641, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 1.41421353816986, 0.0, 0.0, 8.69023418426514, 0.0, 0.0, 0.428571432828903, 5.25674867630005, 0.0, 0.0, 0.0, 0.402368932962418, 2.0, 3.72296214103699, 0.0, 0.0, 1.10520946979523, 0.0, 2.73259806632996, 0.117851130664349, 1.31037068367004, 0.0, 0.0, 1.95284569263458, 0.0, 0.0, 0.305188626050949, 0.0, 0.0, 0.0, 1.0, -0.188027054071426, 1.0, 0.925528645515442, 0.0, 0.0, 0.0
InChI%3D1S%2FC16H16N4O4S%2Fc21-9-7-19%288-10-22%2916-11-3-1-2-4-12%2811%2917-15%2818-16%2913-5-6-14%2825-13%2920%2823%2924%2Fh1-6%2C21-22H%2C7-10H2, 0.0, 3.68395328521729 3.68395328521729, 4.52721548080444, -0.0820998996496201, 4.0, 0.0, 0.0, 5.71374607086182 5.71374607086182, 3.21356129646301, 0.202970936894417, 0.0, 0.0, 8.25113487243652 8.25113487243652, -0.180434942245483, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 1.0, 128.0, 454.0, 1.58810973167419 1.58810973167419, 0.0, 0.801725924015045, 0.0, 0.0, 2.07750344276428 2.07750344276428, 0.0, 0.0, 0.0, 19.7530860900879, 0.0, 0.0, 2.29982614517212 2.29982614517212, 0.142857149243355, 9.27392292022705, 0.117851130664349, 0.0, 0.0, 0.0, 4.646399974823, 0.274971663951874, 0.102062076330185, 2.0, 0.0, 0.521347045898438, 14.0170516967773, 0.136952355504036, 8.43447875976562, 0.158318534493446, , 6.07259321212769, 0.720680296421051, 0.0, 6.27945184707642, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.64748382568359, 2.0, 0.11977531015873, 0.0, 3.2766969203949, 0.0, 0.0, 0.0, 2.07356119155884, 0.0, 0.0, 0.0, 0.0, 1.25968253612518, 0.0, 143.539993286133, 0.0, 0.75514817237854, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 35.6655807495117, 1.0, 0.0, 33.4401702880859, 0.0, 0.0, 1453.0, 0.0, 1819.88635253906, 0.0, 0.0, 48.4412994384766, 0.0, 2170.0224609375, 0.0, 0.0, 52.4374351501465, 0.0, 0.0, 0.0, 0.0, 0.0, 3062.677734375, 48.5167007446289, 5.64385604858398, 39.0, 3129.35107421875, 0.0, 1249.08996582031, 0.0, 3038.03564453125, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 7.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 1.06365919113159, 8.0, 0.0, 17.8111896514893, 0.0, 0.0, 0.454545468091965, 12.134560585022, 0.0, 0.0, 0.0, 1.43883216381073, 0.0, 10.5183887481689, 0.0, 0.0, 10.7901973724365, 0.0, 8.74588203430176, 0.441638320684433, 16.6691360473633, 2.0, 0.0, 7.4295015335083, 6.0, 0.0, 0.494998961687088, 0.0, 0.0, 0.0, 2.0, -0.234554275870323, 1.0, 6.05354070663452, 0.0, 0.0, 0.0
InChI%3D1S%2FC17H20N2O%2Fc1-18%282%2915-9-5-13%286-10-15%2917%2820%2914-7-11-16%2812-8-14%2919%283%294%2Fh5-12H%2C1-4H3, 0.0, 3.62239933013916 3.62239933013916, 2.66021800041199, -0.000686130311805755, 0.0, 0.0, 0.0, 4.27267599105835 4.27267599105835, 2.01539397239685, 0.0105936294421554, 0.0, 0.0, 4.8503532409668 4.8503532409668, -0.0235959887504578, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 100.0, 377.0, 1.44834876060486 1.44834876060486, 0.0, 0.0, 0.0, 0.0, 1.33704519271851 1.33704519271851, 0.0, 0.0, 0.0, 16.3718814849854, 0.0, 0.0, 1.24900186061859 1.24900186061859, 0.100000001490116, 7.31985712051392, 0.0, 0.0, 0.0, 0.0, 4.25, 0.16666667163372, 0.0, 0.0, 0.0, 0.19245009124279, 12.4214773178101, 0.0555555559694767, 6.58292675018311, 0.0526229776442051, , 3.34162521362305, 0.813982486724854, 0.0, 5.21172666549683, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.29178237915039, 0.0, 0.183091893792152, 0.0, 1.98856115341187, 4.0, 0.0, 0.0, 1.23212742805481, 0.0, 0.0, 0.0, 0.0, 0.733323395252228, 0.0, 23.5499992370605, 0.0, 0.439376950263977, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 21.4944458007812, 2.0, 0.0, 22.3292026519775, 0.0, 0.0, 899.0, 0.908560276031494, 1285.783203125, 1.0, 0.0, 30.3289241790771, 5.90230369567871, 1458.62084960938, 0.0, 0.0, 31.9931087493896, 0.0, 0.0, 0.0, 0.0, 3.77033662796021, 1950.19226074219, 25.660737991333, 5.32192802429199, 30.0, 1920.34289550781, 0.0, 1301.03002929688, 0.0, 1499.51171875, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 10.0, 0.0, 14.6983060836792, 0.0, 0.0, 0.5, 9.48607063293457, 0.0, 0.0, 0.0, 1.52578341960907, 0.0, 8.69686985015869, 0.0, 0.0, 8.69190216064453, 0.0, 7.00575113296509, 0.52578341960907, 15.6241292953491, 0.0, 0.0, 5.05976009368896, 8.0, 0.0, 0.305375456809998, 0.0, 0.0, 0.0, 1.0, -0.149021595716476, 2.0, 3.68780708312988, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H8O%2Fc1-2-4-5-3-1%2Fh1-4H2, 0.0, 0.0 0.0, 0.0, 0.00557419145479798, 4.0, 1.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.0, 20.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 3.20000004768372, 0.0, 0.0, 0.0 0.0, 0.0, 1.44000005722046, 0.176776692271233, 0.0, 0.0, 0.0, 0.639999985694885, 0.0, 0.102062076330185, 0.0, 0.0, 0.0, 3.23667550086975, 0.0, 2.0773503780365, 0.0, , 0.0, 0.0, 0.0, 1.31947922706604, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.827350258827209, 0.0, 0.0, 0.0, 0.510310351848602, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.22999954223633, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.77446889877319, 0.0, 0.0, 5.66418409347534, 0.0, 0.0, 15.0, 0.0, 150.798736572266, 0.0, 0.0, 5.66418409347534, 0.0, 150.494125366211, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 150.034713745117, 0.0, 3.32192802429199, 0.0, 0.0, 0.0, 149.009994506836, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 3.5355339050293, 0.0, 0.0, 0.0, 2.5, 0.0, 0.0, 0.0, 0.0, 0.0, 1.76776695251465, 0.0, 0.0, 4.24264049530029, 0.0, 1.25, 0.0, 0.0, 0.0, 0.0, 0.883883476257324, 0.0, 0.0, 0.168022021651268, 0.0, 0.0, 0.0, 0.0, -0.0895852074027061, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H%2Ft1-%2C2-%2C3-%2C4%3F%2C5%3F%2C6%2B%2Fm1%2Fs1, 0.0, 3.64273452758789 3.64273452758789, 0.829344630241394, -0.149364098906517, 0.0, 0.0, 6.0, 4.97606754302979 4.97606754302979, 0.222222223877907, -0.0746820494532585, 0.0, 0.0, 7.01965713500977 7.01965713500977, 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 60.0, 102.0, 4.48108768463135 4.48108768463135, 0.0, 0.0, 0.0, 0.0, 6.42127370834351 6.42127370834351, 0.0, 0.0, 0.0, 10.0833330154419, 0.0, 0.0, 9.34938430786133 9.34938430786133, 0.0, 3.3950617313385, 0.0, 0.0, 0.0, 0.0, 1.5625, 0.0370370373129845, 0.0, 0.0, 0.0, 0.222222223877907, 10.2674617767334, 0.0370370373129845, 5.92792224884033, 0.251976311206818, , 9.12546539306641, 1.30930733680725, 0.0, 5.69027423858643, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.8567099571228, 0.0, 0.857142865657806, 0.0, 3.38137316703796, 0.0, 0.0, 0.0, 1.95223665237427, 0.0, 0.0, 0.0, 0.0, 0.998824298381805, 0.0, 0.0, 0.0, 0.28571429848671, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 58.2765197753906, 0.0, 0.0, 23.7104244232178, 0.0, 0.0, 174.0, 0.0, 1161.49096679688, 0.0, 0.0, 41.4208488464355, 0.0, 1349.00231933594, 0.0, 0.0, 90.6973724365234, 0.0, 0.0, 0.0, 0.0, 0.0, 1878.3134765625, 69.986946105957, 4.58496236801147, 21.0, 1810.26770019531, 0.0, 192.059997558594, 0.0, 871.111022949219, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 9.46410179138184, 0.0, 0.0, 0.200000002980232, 5.46410179138184, 0.0, 0.0, 0.0, 1.15470051765442, 0.0, 5.154700756073, 6.0, 0.0, 0.0, 0.0, 4.97606754302979, 0.666666686534882, 0.0, 0.0, 0.0, 2.87293410301208, 0.0, 0.0, 0.298728197813034, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.65868926048279, 0.0, 0.0, 0.0
InChI%3D1S%2FC20H24O2%2Fc1-3-20%2822%2911-9-18-17-6-4-13-12-14%2821%295-7-15%2813%2916%2817%298-10-19%2818%2C20%292%2Fh1%2C5%2C7%2C12%2C16-18%2C21-22H%2C4%2C6%2C8-11H2%2C2H3%2Ft16-%2C17%3F%2C18%3F%2C19%2B%2C20%2B%2Fm1%2Fs1, 0.0, 6.61532211303711 6.61532211303711, 5.0547513961792, -0.0211416985839605, 6.0, 0.0, 0.0, 10.8521718978882 10.8521718978882, 3.95161271095276, -0.00275051104836166, 0.0, 0.0, 14.6849966049194 14.6849966049194, -0.000218115179450251, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 0.0, 130.0, 399.0, 4.29852485656738 4.29852485656738, 0.0, 0.100000001490116, 0.0, 0.0, 7.0228099822998 7.0228099822998, 0.0, 0.0, 0.0, 15.5232000350952, 0.0, 0.0, 9.25261974334717 9.25261974334717, 0.0, 5.25, 0.0721687823534012, 1.0, 0.0, 0.0, 2.11111116409302, 0.459775775671005, 0.0721687823534012, 2.0, 1.0, 1.06862235069275, 13.1785202026367, 0.347061187028885, 8.50334453582764, 0.712453961372375, , 6.63197565078735, 1.56142044067383, 0.0, 7.79806137084961, 0.0, 3.32753610610962, 0.0, 0.141590550541878, 0.0, 0.0, 7.10047435760498, 0.0, 0.726252615451813, 0.0, 5.82190704345703, 1.0, 0.199757739901543, 0.0, 4.50700235366821, 0.0, 0.0, 0.0, 0.0, 3.24103736877441, 0.0, 40.4599990844727, 0.0, 2.38859844207764, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.5489387512207, 6.0, 0.0, 25.6641845703125, 0.0, 0.0, 941.0, 0.25, 1874.59851074219, 0.0, 0.0, 41.6604614257812, 4.58493947982788, 2345.3486328125, 2.0, 1.0, 48.3246421813965, 0.0, 0.0, 0.0, 0.0, 2.30957436561584, 3711.65356445312, 37.328369140625, 5.45943164825439, 46.0, 3939.37255859375, 0.0, 1939.02001953125, 2.14913988113403, 3001.29565429688, 3.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 15.5351696014404, 0.0, 0.0, 0.454545468091965, 10.4831123352051, 0.0, 0.0, 0.0, 2.3372950553894, 0.0, 10.2627420425415, 3.0, 0.227062076330185, 12.3649597167969, 0.0, 9.77254295349121, 1.22124040126801, 21.3989067077637, 0.0, 0.0, 8.03020572662354, 3.0, 0.0, 0.158922791481018, 0.448623448610306, 6.78693008422852, 0.0, 0.0, -0.0552764795720577, 0.0, 6.55419063568115, 0.0, 0.0, 0.0
InChI%3D1S%2FC13H21NO3%2Fc1-13%282%2C3%2914-7-12%2817%299-4-5-11%2816%2910%286-9%298-15%2Fh4-6%2C12%2C14-17H%2C7-8H2%2C1-3H3, 0.0, 2.79600358009338 2.79600358009338, 1.71861755847931, -0.0669425427913666, 2.0, 0.0, 0.0, 3.27134704589844 3.27134704589844, 0.870686531066895, 0.0106438305228949, 0.0, 0.0, 4.18043899536133 4.18043899536133, 0.0709193646907806, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 82.0, 238.0, 1.21754837036133 1.21754837036133, 0.0, 0.57235711812973, 0.0, 0.0, 1.20295643806458 1.20295643806458, 0.0, 0.0, 0.0, 15.0588235855103, 0.0, 0.0, 1.21035265922546 1.21035265922546, 0.0, 6.25, 0.0, 0.0, 0.0, 0.0, 5.01760005950928, 0.0680413842201233, 0.0, 3.0, 0.0, 0.155437618494034, 10.5652551651001, 0.0240562614053488, 5.69009733200073, 0.0416575223207474, , 2.94168281555176, 1.60412395000458, 0.0, 5.19296216964722, 0.0, 0.844213604927063, 0.0, 0.25, 0.0, 0.0, 2.48441076278687, 0.0, 0.0567813441157341, 0.0, 1.46005833148956, 3.0, 0.0, 0.0, 0.999377191066742, 0.0, 0.0, 0.0, 0.0, 0.522112369537354, 0.0, 72.7200012207031, 0.0, 0.244164258241653, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.6833953857422, 3.0, 0.0, 18.3286457061768, 0.0, 0.0, 560.0, 1.5, 964.824157714844, 0.0, 0.0, 26.3252010345459, 2.62886881828308, 1071.47607421875, 1.0, 0.0, 25.0442943572998, 0.0, 0.0, 0.0, 0.0, 2.07432460784912, 1407.26867675781, 21.0993919372559, 5.08746290206909, 22.0, 1259.94689941406, 0.0, 1172.0400390625, 3.0, 1005.865234375, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 13.0520420074463, 0.0, 0.0, 0.444444447755814, 7.83151721954346, 0.0, 1.0, 0.0, 2.36539793014526, 0.0, 7.7953634262085, 1.0, 0.353553384542465, 3.61939930915833, 0.0, 5.0818305015564, 0.235702261328697, 10.3251247406006, 0.0, 0.0, 3.43394470214844, 3.0, 0.0, 0.308349698781967, 0.0, 1.08274495601654, 0.0, 0.0, -0.0953212976455688, 0.0, 2.80642437934875, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H10N6O3%2Fc1-11-4-8-6%2812%282%299-15%295%2811%297%2814%2913%283%2910-16%2Fh4H%2C1-3H3, 0.0, 3.12885117530823 3.12885117530823, 1.55459427833557, 0.109493851661682, 0.0, 0.0, 0.0, 4.68413591384888 4.68413591384888, 0.682538628578186, -0.0859729424118996, 0.0, 0.0, 6.26792860031128 6.26792860031128, 0.0367477238178253, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 76.0, 187.0, 0.897907674312592 0.897907674312592, 0.0, 0.520020961761475, 0.0, 0.0, 1.03401839733124 1.03401839733124, 0.0, 0.0, 0.0, 14.0625, 0.0, 0.0, 1.1243269443512 1.1243269443512, 0.908560276031494, 6.07438039779663, 0.0962250456213951, 0.0, 0.0, 0.0, 3.02972650527954, 0.207336157560349, 0.0288675129413605, 0.0, 0.0, 0.325655966997147, 8.98537635803223, 0.0562112145125866, 4.22173833847046, 0.0648296475410461, , 2.38110160827637, 0.480644702911377, 0.0, 3.04335379600525, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.96569979190826, 0.0, 0.0964345037937164, 0.0, 1.13023793697357, 3.0, 0.0, 0.0, 0.646970212459564, 0.0, 0.0, 0.0, 0.0, 0.263622552156448, 0.0, 100.230003356934, 0.0, 0.0735262185335159, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.4833354949951, 0.0, 0.0, 19.6546669006348, 0.0, 0.0, 421.0, 0.56462162733078, 713.411926269531, 1.0, 0.0, 26.2081336975098, 0.877205312252045, 820.682678222656, 0.0, 0.0, 29.5089302062988, 0.0, 0.0, 0.0, 0.0, 3.22147059440613, 1131.60314941406, 29.5326690673828, 5.0, 24.0, 1078.58239746094, 0.0, 436.089996337891, 0.0, 933.749084472656, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.669432938098907, 0.0, 2.0, 3.39886260032654, 1.0, 0.0, 12.2925291061401, 0.0, 0.0, 0.5, 7.52327442169189, 0.0, 0.0, 0.0, 1.14675068855286, 2.0, 6.42602014541626, 0.0, 0.0, 0.0, 0.0, 5.63028907775879, 0.420386165380478, 1.31037068367004, 2.0, 0.0, 3.88811731338501, 1.0, 1.0, 0.419948488473892, 0.0, 0.0, 0.0, 3.0, -0.250089645385742, 2.0, 2.60127210617065, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H5ClO%2Fc4-1-3-2-5-3%2Fh3H%2C1-2H2, 0.0, 0.20412415266037 0.20412415266037, 0.0, -0.055318146944046, 2.0, 1.0, 1.0, 0.0 0.0, 0.0, 0.0275864638388157, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 22.0, 25.0, 0.133630618453026 0.133630618453026, 0.0, 0.0, 0.0, 0.288675129413605, 0.0 0.0, 0.16666667163372, 0.0, 0.0, 3.20000004768372, 0.20412415266037, 0.0, 0.0 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.117851130664349, 0.639999985694885, 0.0, 0.0, 0.0, 0.0, 0.0, 3.53370547294617, 0.0, 2.14265775680542, 0.0, , 0.0, 0.117851130664349, 0.0, 1.41825187206268, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.752011358737946, 0.0, 0.0, 0.0, 0.267261236906052, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.5299997329712, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 13.4872226715088, 0.0, 0.0, 7.61592149734497, 0.0, 0.0, 17.0, 0.0, 152.66291809082, 0.0, 0.0, 5.28382921218872, 0.0, 156.481292724609, 0.0, 0.0, 6.88372325897217, 0.0, 0.0, 0.0, 0.0, 0.0, 94.0075912475586, 0.0, 3.32192802429199, 2.0, 48.2994079589844, 0.0, 80.0199966430664, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 3.69867062568665, 0.0, 0.0, 0.333333343267441, 2.4318516254425, 0.0, 0.0, 0.0, 0.20412415266037, 0.0, 1.85162401199341, 1.0, 0.0, 0.5, 0.0, 0.985598564147949, 0.0, 2.0, 0.0, 0.0, 0.40824830532074, 0.0, 0.0, 0.232009291648865, 0.0, 0.0, 0.0, 0.0, -0.0882729589939117, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H10N2S%2Fc1-5-4%287%296%282%293%2Fh1-3H3%2C%28H%2C5%2C7%29, 0.0, 1.27614235877991 1.27614235877991, 0.0, 0.127835690975189, 0.0, 0.0, 0.0, 0.70710676908493 0.70710676908493, 0.0, -0.0897039845585823, 0.0, 0.0, 0.235702261328697 0.235702261328697, 0.0295907892286777, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 26.0, 36.0, 0.802492260932922 0.802492260932922, 0.0, 0.0, 0.0, 0.0, 0.368328154087067 0.368328154087067, 0.0, 0.0, 0.0, 7.0, 0.0, 0.0, 0.134164080023766 0.134164080023766, 0.0, 3.06122446060181, 0.0, 0.0, 0.0, 0.0, 2.66666674613953, 0.0, 0.0, 0.0, 0.0, 0.0, 5.73606777191162, 0.0, 2.45967483520508, 0.0, , 0.0, 0.357770889997482, 0.0, 1.81803393363953, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.20000004768372, 0.0, 0.134164080023766, 0.0, 0.200000002980232, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 54.4000015258789, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 13.847728729248, 0.0, 0.0, 8.50071144104004, 0.0, 0.0, 46.0, 0.944940805435181, 367.093475341797, 1.0, 0.0, 11.5869159698486, 0.0, 355.403137207031, 0.0, 0.0, 11.5079116821289, 0.0, 0.0, 0.0, 0.0, 1.5, 376.565032958984, 2.0, 3.80735492706299, 6.0, 262.535614013672, 1.0, 214.029998779297, 0.0, 67.3225250244141, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 5.86180734634399, 0.0, 0.0, 0.5, 3.18073916435242, 0.0, 0.0, 0.0, 0.569035589694977, 1.0, 2.62954902648926, 0.0, 0.0, 0.0, 0.0, 1.78202176094055, 0.235702261328697, 0.0, 0.0, 0.0, 0.471404522657394, 0.0, 0.0, 0.18100044131279, 0.0, 0.0, 0.0, 0.0, -0.158222705125809, 1.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC20H18ClNO6%2Fc1-10-7-12-14%2821%299-13%2817%2823%2916%2812%2920%2827%2928-10%2918%2824%2922-15%2819%2825%2926%298-11-5-3-2-4-6-11%2Fh2-6%2C9-10%2C15%2C23H%2C7-8H2%2C1H3%2C%28H%2C22%2C24%29%28H%2C25%2C26%29%2Ft10-%2C15%2B%2Fm1%2Fs1, 0.0, 4.99356889724731 4.99356889724731, 4.27321147918701, 0.0452834330499172, 2.0, 1.0, 1.0, 7.97306680679321 7.97306680679321, 2.85468578338623, -0.0741009041666985, 0.0, 0.0, 12.3901224136353 12.3901224136353, -0.130924910306931, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 146.0, 634.0, 1.79032766819 1.79032766819, 0.0, 1.87071561813354, 0.0, 0.0, 2.40507578849792 2.40507578849792, 0.0, 0.957248628139496, 0.0, 22.6800003051758, 0.0, 0.0, 3.11953163146973 3.11953163146973, 0.0, 9.87128162384033, 0.0, 0.0, 0.0, 0.0, 5.38903045654297, 0.202978551387787, 0.0, 3.0, 0.0, 0.422605067491531, 15.6805086135864, 0.0709505453705788, 8.94531059265137, 0.132178902626038, , 16.7636432647705, 0.962798416614532, 0.0, 6.93182516098022, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.77017259597778, 0.0, 0.151590794324875, 0.0, 3.36330151557922, 1.0, 0.0, 0.0, 2.37065768241882, 0.0, 0.0, 0.0, 0.0, 1.20155489444733, 0.0, 116.419998168945, 0.0, 0.686477243900299, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 40.719554901123, 4.0, 0.0, 34.6087532043457, 0.0, 0.0, 2061.0, 0.0, 1849.86596679688, 3.0, 0.0, 52.4932632446289, 0.915256500244141, 2181.7900390625, 0.0, 0.0, 59.1099891662598, 0.0, 0.0, 0.0, 0.0, 2.30004644393921, 3080.41528320312, 62.662036895752, 5.80735492706299, 47.0, 3280.7109375, 0.0, 1548.07995605469, 0.0, 2949.25024414062, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0, 0.0, 20.4219207763672, 0.0, 0.0, 0.5, 13.2737646102905, 0.0, 0.0, 0.0, 2.27563285827637, 1.0, 12.4878435134888, 2.0, 0.0, 7.50630474090576, 0.0, 9.9665355682373, 0.625762522220612, 17.8811626434326, 0.0, 0.0, 8.4501428604126, 6.0, 0.0, 0.755511164665222, 0.0, 0.0, 0.0, 2.0, -0.322475910186768, 0.0, 6.88363075256348, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H4N2O3%2Fc6-3-5%284-7%291-2-8-3%2Fh1-2H2, , 1.06903564929962 1.06903564929962, 0.25, 0.192991003394127, 2.0, 1.0, 0.0, 1.40829122066498 1.40829122066498, 0.0833333358168602, -0.156677961349487, , 0.0, 0.735702276229858 0.735702276229858, 0.0461367107927799, , 0.0, 1.0, 0.0, 0.0, 0.0, 36.0, 51.0, 0.205973833799362 0.205973833799362, 0.0, 0.25, 0.0, 0.0, 0.200123250484467 0.200123250484467, 0.0, 0.70710676908493, 0.0, 6.125, 0.0, 0.0, 0.0596225038170815 0.0596225038170815, 0.0, 2.51999998092651, 0.117851130664349, 0.0, 0.0, 0.0, 1.25, 0.201184466481209, 0.0456435456871986, 0.0, 0.0, 0.16666667163372, 4.03338575363159, 0.0390463136136532, 2.11933207511902, 0.0166666675359011, , 0.0, 0.107978478074074, 0.0, 1.31916093826294, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.837936818599701, 0.0, 0.0117851132526994, , 0.459378451108932, 0.0, 0.0, 0.0, 0.106544405221939, 0.0, , , 0.0, 0.025000000372529, 0.0, 58.9700012207031, 0.0, 0.00340206897817552, , 0.0, 0.0, 0.0, 0.0, 0.0, 11.0433835983276, 0.0, 0.0, 10.2421007156372, 0.0, , 61.0, 0.0, 216.992462158203, 1.0, 0.0, 13.2655143737793, 0.0, 236.928314208984, 0.0, 0.0, 9.60148525238037, 0.0, 0.0, 0.0, , 0.0, 289.521301269531, 4.88103008270264, 4.0, 7.0, 148.8271484375, 0.0, 88.0500030517578, 0.0, 45.0775375366211, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 2.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 5.98312759399414, , , 0.5, 3.84253525733948, 0.0, 0.0, 0.0, 0.402368932962418, 1.0, 3.07651543617249, 0.0, 0.0, 1.0, 0.0, 2.56349611282349, 0.117851130664349, 1.0, 0.0, 0.0, 1.82872819900513, 0.0, 0.0, 0.346346616744995, 0.0, 0.0, 0.0, 2.0, -0.255623072385788, 1.0, 0.664557635784149, 0.0, 0.0, 0.0
InChI%3D1S%2FC11H17N3O4%2Fc1-12-10-3-2-9%288-11%2810%2914%2817%2918%2913%284-6-15%295-7-16%2Fh2-3%2C8%2C12%2C15-16H%2C4-7H2%2C1H3, 0.0, 2.39111232757568 2.39111232757568, 2.06219673156738, -0.184079736471176, 4.0, 0.0, 0.0, 3.65876579284668 3.65876579284668, 1.32175493240356, 0.118973515927792, 0.0, 0.0, 4.87816905975342 4.87816905975342, 0.0343369618058205, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 82.0, 244.0, 0.85537314414978 0.85537314414978, 0.0, 0.99135160446167, 0.0, 0.0, 1.1070761680603 1.1070761680603, 0.0, 0.0, 0.0, 16.0555553436279, 0.0, 0.0, 1.09820675849915 1.09820675849915, 0.25, 8.22684288024902, 0.0, 0.0, 0.0, 0.0, 4.56599283218384, 0.0680413842201233, 0.0, 2.0, 0.0, 0.126679942011833, 10.165828704834, 0.0240562614053488, 5.56530714035034, 0.0335447043180466, , 1.65096366405487, 0.360325306653976, 0.0, 3.6428234577179, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.55233263969421, 0.0, 0.0666599869728088, 0.0, 1.69061100482941, 1.0, 0.0, 0.0, 1.00296807289124, 0.0, 0.0, 0.0, 0.0, 0.506050169467926, 0.0, 101.550003051758, 0.0, 0.284815698862076, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 22.1778411865234, 0.0, 0.0, 20.7682266235352, 0.0, 0.0, 618.0, 0.0, 954.350341796875, 0.0, 0.0, 26.4323196411133, 1.27478933334351, 1076.61901855469, 0.0, 0.0, 29.7924003601074, 0.0, 0.0, 0.0, 0.0, 0.965489387512207, 1407.56750488281, 30.7883968353271, 5.16992521286011, 26.0, 1487.86584472656, 0.0, 919.070007324219, 0.0, 1270.50952148438, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.516397774219513, 6.0, 0.0, 13.5436058044434, 0.0, 0.0, 0.444444447755814, 8.63375854492188, 0.0, 1.0, 0.0, 0.969416081905365, 0.0, 6.98676156997681, 0.0, 0.0, 7.36638021469116, 0.0, 5.45494270324707, 0.287457466125488, 8.0069055557251, 0.0, 0.0, 4.41096067428589, 3.0, 0.0, 0.416644424200058, 0.0, 0.0, 0.0, 2.0, -0.132842302322388, 1.0, 3.36733889579773, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H9N5O3%2Fc1-2-3-8%287-10%294%285%296-9%2811%2912%2Fh2-3H2%2C1H3%2C%28H2%2C5%2C6%29, , 1.2741539478302 1.2741539478302, 0.396574229001999, 0.0963400676846504, 2.0, 0.0, 0.0, 1.91036438941956 1.91036438941956, 0.136082768440247, -0.135909050703049, , 0.0, 1.83604872226715 1.83604872226715, 0.073542520403862, , 0.0, 0.75, 0.0, 0.0, 0.0, 48.0, 116.0, 0.257740557193756 0.257740557193756, 0.0, 0.721124768257141, 0.0, 0.0, 0.270169079303741 0.270169079303741, 0.0, 0.0, 0.0, 12.0, 0.0, 0.0, 0.210943922400475 0.210943922400475, 0.333333343267441, 6.50887584686279, 0.0, 0.0, 0.0, 0.0, 5.32544374465942, 0.0, 0.0, 0.0, 0.0, 0.0, 6.48059940338135, 0.0, 3.21827077865601, 0.0, , 0.0, 0.163880184292793, 0.0, 1.92231166362762, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.989272713661194, 0.0, 0.0176776703447104, , 0.549440860748291, 1.0, 0.0, 0.0, 0.233881875872612, 0.0, , , 0.0, 0.0528659746050835, 0.0, 114.370002746582, 0.0, 0.020412415266037, , 0.816496610641479, 0.0, 0.0, 0.0, 0.816496610641479, 16.123348236084, 0.0, 0.0, 14.0451154708862, 0.0, , 217.0, 0.0, 402.640899658203, 1.0, 0.0, 17.179573059082, 1.41421353816986, 417.653106689453, 0.0, 0.0, 16.4330615997314, 0.0, 0.0, 0.0, , 0.25, 473.449920654297, 17.6776180267334, 4.58496236801147, 13.0, 444.263092041016, 0.0, 268.079986572266, 0.0, 357.695343017578, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 1.0, 0.0, 0.0, 1.0, , , 2.0, 0.0, , 0.0, 0.333333343267441, 0.0, 0.0, 2.37841415405273, 1.0, 0.0, 9.56047821044922, , , 0.428571432828903, 5.61259078979492, 0.0, 1.0, 0.0, 0.810617208480835, 1.0, 4.56383609771729, 0.0, 0.0, 1.0, 0.0, 2.83177065849304, 0.117851130664349, 0.816496610641479, 0.0, 0.0, 2.19782185554504, 0.0, 0.0, 0.153768226504326, 0.0, 0.0, 0.0, 3.0, -0.0882842466235161, 1.0, 1.03780853748322, 0.0, 0.0, 0.0
InChI%3D1S%2FC21H33NO7%2Fc1-7-13%282%2918%2823%2929-16-9-11-22-10-8-15%2817%2816%2922%2912-28-19%2824%2921%2826%2C14%283%2927-6%2920%284%2C5%2925%2Fh7-8%2C14%2C16-17%2C25-26H%2C9-12H2%2C1-6H3%2Ft14-%2C16-%2C17%3F%2C21%2B%2Fm0%2Fs1, 0.0, 8.18569850921631 8.18569850921631, 3.21163606643677, -0.0725586116313934, 4.0, 3.0, 0.0, 12.3069381713867 12.3069381713867, 2.50132727622986, -0.0712261125445366, 0.0, 0.0, 14.1611413955688 14.1611413955688, 0.242607608437538, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 150.0, 634.0, 3.41617727279663 3.41617727279663, 0.0, 1.04591155052185, 0.0, 0.0, 4.41437005996704 4.41437005996704, 0.0, 2.60954189300537, 0.0, 25.2622222900391, 0.0, 0.0, 4.11309099197388 4.11309099197388, 0.0, 10.0799999237061, 0.19245009124279, 0.0, 0.0, 0.0, 5.25777769088745, 0.383276641368866, 0.127240225672722, 2.0, 0.0, 0.594116032123566, 18.0980606079102, 0.225366085767746, 9.88547706604004, 0.301487296819687, , 5.91002893447876, 1.71761679649353, 0.0, 8.20239734649658, 0.0, 3.28460121154785, 0.0, 0.144078254699707, 0.0, 0.0, 5.98341417312622, 0.0, 0.592445373535156, 0.0, 3.81712508201599, 6.0, 0.165840044617653, 0.0, 2.01912689208984, 0.0, 0.0, 0.0, 0.0, 1.18251872062683, 0.0, 105.529998779297, 0.0, 0.788366436958313, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 34.7812728881836, 2.0, 0.0, 33.8194770812988, 0.531329274177551, 0.0, 2337.0, 2.13618779182434, 1837.95202636719, 4.0, 0.0, 52.1950569152832, 5.05275774002075, 2154.55126953125, 2.0, 0.0, 60.7914581298828, 0.0, 0.0, 0.0, 0.0, 7.52207231521606, 3113.5244140625, 57.5659294128418, 5.85798120498657, 50.0, 3082.201171875, 0.0, 3157.080078125, 3.3682267665863, 2692.6142578125, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 8.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 4.0, 0.0, 21.9827632904053, 0.0, 0.0, 0.5, 13.4667816162109, 2.0, 0.0, 0.0, 3.27943897247314, 0.0, 12.9311943054199, 3.0, 0.333333343267441, 4.49389934539795, 0.0, 10.9856805801392, 2.00703620910645, 11.9873542785645, 0.0, 0.0, 7.80118894577026, 0.0, 0.0, 1.01156651973724, 0.739859580993652, 1.8595358133316, 0.0, 2.0, -0.495826661586761, 1.0, 4.67315101623535, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H18N6O6%2Fc16-1-13%282-17%297-10-8%2814%283-18%294-19%2912-9%2811-7%2915%285-20%296-21%2Fh16-21H%2C1-6H2, 0.0, 2.99156379699707 2.99156379699707, 2.75789952278137, 1.17191779613495, 6.0, 0.0, 0.0, 4.75431346893311 4.75431346893311, 2.01971244812012, -1.42265558242798, 0.0, 0.0, 5.24791097640991 5.24791097640991, 1.3818781375885, 0.0, 0.0, 0.600000023841858, 0.0, 0.0, 0.0, 96.0, 267.0, 0.923900723457336 0.923900723457336, 0.0, 2.15380930900574, 0.0, 0.0, 0.913540661334991 0.913540661334991, 0.0, 0.0, 0.0, 19.0476188659668, 0.0, 0.0, 0.838237881660461 0.838237881660461, 0.75, 9.90397834777832, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0680413842201233, 0.0, 6.0, 0.0, 0.117851130664349, 11.1092042922974, 0.0111803403124213, 5.80719423294067, 0.0149999996647239, , 1.5, 0.469574272632599, 0.0, 3.70344209671021, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.47279214859009, 0.0, 0.0670820400118828, 0.0, 1.28122961521149, 0.0, 0.0, 0.0, 0.703374028205872, 0.0, 0.0, 0.0, 0.0, 0.443738043308258, 0.0, 169.770004272461, 0.0, 0.247279226779938, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 27.8067417144775, 0.0, 0.0, 25.485330581665, 0.0, 0.0, 900.0, 0.0, 1080.97875976562, 0.0, 0.0, 33.5606880187988, 0.0, 1235.06115722656, 0.0, 0.0, 40.4749946594238, 0.0, 0.0, 0.0, 0.0, 0.0, 1641.49060058594, 44.124927520752, 5.39231729507446, 33.0, 1813.21472167969, 0.0, 1101.11999511719, 0.0, 1694.75207519531, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.5, 0.0, 0.0, 3.57165241241455, 0.0, 0.0, 15.8280630111694, 0.0, 0.0, 0.375, 10.1416206359863, 0.0, 0.0, 0.0, 1.0, 0.0, 7.71707439422607, 0.0, 0.0, 3.1143274307251, 0.0, 6.96276092529297, 0.25, 5.66964483261108, 3.0, 0.0, 5.47600698471069, 0.0, 0.0, 0.979924976825714, 0.0, 0.0, 0.0, 0.0, -0.941392719745636, 3.0, 3.37944531440735, 0.0, 0.0, 0.0
InChI%3D1S%2FC37H30N4O10S3.2Na%2Fc1-22-4-13-30%2814-5-22%2954%2849%2C50%2951-29-11-9-28%2810-12-29%2938-39-32-15-6-25%2818-23%2832%292%2926-7-16-33%2824%283%2919-26%2940-41-37-34%2842%2917-8-27-20-31%2852%2843%2C44%2945%2921-35%2836%2827%2937%2953%2846%2C47%2948%3B%3B%2Fh4-21%2C42H%2C1-3H3%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb39-38%2B%2C41-40%2B%3B%3B, 0.0, 11.4211730957031 11.4211730957031, 10.1518077850342, -0.00190292880870402, 0.0, 1.0, 0.0, 15.9002923965454 15.9002923965454, 6.96119689941406, 0.0479306355118752, 0.0, 0.0, 22.8998527526855 22.8998527526855, -0.0750384256243706, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 296.0, 2035882880.0, 3.74157404899597 3.74157404899597, 0.0, 4.263108253479, 3.0, 0.0, 4.57546138763428 4.57546138763428, 0.0, 0.708947658538818, 0.0, 48.664176940918, 0.0, 0.0, 5.66169595718384 5.66169595718384, 0.0, 20.247444152832, 0.0, 0.0, 0.0, 0.0, 12.3204717636108, 0.413860529661179, 0.0, 1.0, 0.0, 0.846838653087616, 29.0874404907227, 0.145334750413895, 17.5991592407227, 0.259648472070694, , 17.0322761535645, 2.15285086631775, 0.0, 13.8475170135498, 0.0, 0.0, 0.0, 0.0618149600923061, 0.0, 0.0, 9.45742511749268, 2.0, 0.331316947937012, 0.0, 6.42195510864258, 3.0, 0.0191618446260691, 0.0, 4.65451240539551, 0.0, 0.0, 0.0, 0.0, 2.70117402076721, 0.0, 252.580001831055, 0.0, 1.4702912569046, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 88.8954696655273, 7.0, 0.0, 89.0658493041992, 0.0, 0.0, 109000015872.0, 0.234268993139267, 4394.28955078125, 0.0, 0.0, 113.970138549805, 6.36754894256592, 5204.90087890625, 0.0, 0.0, 120.709259033203, 0.0, 0.0, 0.0, 0.0, 5.8851318359375, 7598.845703125, 123.27668762207, 6.80735492706299, 94.0, 7950.69384765625, 0.0, 4489.18994140625, 0.0, 7317.6796875, 14.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 1.29482793807983, 0.0, 0.0, 0.0, 27.0, 0.0, 39.0010604858398, 0.0, 0.0, 0.999000012874603, 25.3850173950195, 0.0, 0.0, 0.0, 6.67361116409302, 4.0, 25.87473487854, 0.0, 0.781474411487579, 19.22975730896, 0.0, 19.8502044677734, 1.69048857688904, 40.2944183349609, 0.0, 0.0, 15.802526473999, 18.0, 0.0, 1.08387315273285, 0.364250779151917, 0.0, 0.0, 6.0, -0.413521468639374, 0.0, 13.6181535720825, 0.0, 0.0, 0.0
InChI%3D1S%2FC16H19ClN4O2S%2Fc1-10-4-3-5-12%2811%2810%292%2919-14-8-13%2817%2920-16%2821-14%2924-9-15%2823%2918-6-7-22%2Fh3-5%2C8%2C22H%2C6-7%2C9H2%2C1-2H3%2C%28H%2C18%2C23%29%28H%2C19%2C20%2C21%29, 0.0, 3.09129285812378 3.09129285812378, 2.96308016777039, 0.0705132260918617, 4.0, 0.0, 1.0, 4.48162126541138 4.48162126541138, 2.03636264801025, -0.0825105085968971, 0.0, 0.0, 5.8220682144165 5.8220682144165, -0.00137907732278109, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 116.0, 531.0, 1.62367284297943 1.62367284297943, 0.0, 0.200000002980232, 0.0, 0.0, 2.15419459342957 2.15419459342957, 0.0, 0.0, 1.0, 20.3136005401611, 0.0, 0.0, 2.43075942993164 2.43075942993164, 0.0, 10.222222328186, 0.0, 0.0, 0.0, 0.0, 6.68244552612305, 0.136082768440247, 0.0, 2.0, 0.0, 0.348461717367172, 15.3626708984375, 0.0535190440714359, 9.23006629943848, 0.141539007425308, , 6.06963872909546, 0.891886651515961, 0.0, 7.09303569793701, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.89977693557739, 0.0, 0.104443646967411, 0.0, 3.43097805976868, 2.0, 0.0, 0.0, 2.27854037284851, 0.0, 0.0, 0.0, 0.0, 1.42005097866058, 0.0, 114.540000915527, 0.0, 0.865180850028992, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 40.8293952941895, 2.0, 0.0, 32.2849731445312, 0.0, 0.0, 1525.0, 0.333333343267441, 1750.42810058594, 2.0, 0.0, 46.3916473388672, 2.4551637172699, 1975.638671875, 0.0, 0.0, 47.460319519043, 0.0, 0.0, 0.0, 0.0, 3.82938742637634, 2582.20556640625, 48.7376441955566, 5.58496236801147, 33.0, 2561.267578125, 0.0, 1752.07995605469, 0.0, 2231.0625, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 1.59817707538605, 0.0, 0.0, 0.0, 5.0, 0.0, 17.5267333984375, 0.0, 0.0, 0.5, 11.4904022216797, 0.0, 2.0, 0.0, 1.58041763305664, 2.0, 10.1321659088135, 2.0, 0.0, 4.02204656600952, 0.0, 7.76786422729492, 0.232307806611061, 11.4985065460205, 0.0, 0.0, 5.99651432037354, 3.0, 0.0, 0.529648959636688, 0.0, 0.0, 0.0, 0.0, -0.303849250078201, 0.0, 4.55765247344971, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H14N2O%2Fc1-3-5-8%287-9%296-4-2%2Fh3-6H2%2C1-2H3, , 0.492799282073975 0.492799282073975, 0.144337564706802, 0.0289655271917582, 4.0, 0.0, 0.0, 0.679412364959717 0.679412364959717, 0.0, -0.021219402551651, , 0.0, 0.492799282073975 0.492799282073975, -0.00431462144479156, , 0.0, 1.0, 0.0, 0.0, 0.0, 32.0, 70.0, 0.182246178388596 0.182246178388596, 0.0, 0.0, 0.0, 0.0, 0.249156385660172 0.249156385660172, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.157735019922256 0.157735019922256, 0.0, 6.125, 0.0, 0.0, 0.0, 0.0, 4.5, 0.0, 0.0, 0.0, 0.0, 0.0, 6.13110256195068, 0.0, 3.42924332618713, 0.0, , 0.0, 0.100000001490116, 0.0, 2.03531265258789, 0.0, 0.0, , 0.0, , 0.0, 1.07891142368317, 0.0, 0.0, , 0.709680795669556, 2.0, 0.0, 0.0, 0.305256456136703, , , , 0.0, 0.111803397536278, , 32.6699981689453, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 10.4944448471069, 0.0, , 9.24582481384277, 0.0, , 102.0, 0.16666667163372, 332.353576660156, 0.0, 0.0, 9.21820735931396, 3.18108296394348, 321.807281494141, 0.0, 0.0, 9.32892513275146, 0.0, 0.0, 0.0, , 0.0, 320.166931152344, 7.99655437469482, 4.16992521286011, 8.0, 283.624114990234, 0.0, 412.029998779297, 0.0, 211.265029907227, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 2.0, 0.0, 7.11288404464722, , , 0.5, 4.34606504440308, 0.0, 0.0, 0.0, 0.20412415266037, 1.0, 2.85162401199341, 0.0, 0.0, 2.94168281555176, , 1.9711971282959, 0.0, 0.0, 0.0, 0.0, 1.3690824508667, 0.0, 0.0, 0.058386106044054, 0.0, 0.0, 0.0, 1.0, -0.0322722084820271, 1.0, 0.696923434734344, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H6N6%2Fc4-1-7-2%285%299-3%286%298-1%2Fh%28H6%2C4%2C5%2C6%2C7%2C8%2C9%29, 0.0, 1.0 1.0, 0.696923434734344, 0.25616443157196, 0.0, 0.0, 0.0, 1.99578189849854 1.99578189849854, 0.0, -0.228743344545364, 0.0, 0.0, 1.74740028381348 1.74740028381348, 0.0794921293854713, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 42.0, 63.0, 0.1875 0.1875, 0.0, 0.0, 0.0, 0.0, 0.234375 0.234375, 0.0, 0.0, 0.0, 7.11111116409302, 0.0, 0.0, 0.1640625 0.1640625, 0.0, 2.72222232818604, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0680413842201233, 0.0, 0.0, 0.0, 0.20412415266037, 4.5, 0.015625, 2.25, 0.0234375, , 1.5, 0.1875, 0.0, 1.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 0.46875, 0.0, 0.0, 0.0, 0.1875, 0.0, 0.0, 0.0, 0.0, 0.0703125, 0.0, 107.639999389648, 0.75, 0.0, 0.0, 3.57165241241455, 0.0, 0.0, 0.0, 0.0, 11.1599283218384, 0.0, 0.0, 10.4956674575806, 0.0, 0.0, 84.0, 0.0, 408.964691162109, 3.0, 0.0, 15.2398920059204, 0.0, 444.217102050781, 0.0, 0.0, 10.4956674575806, 0.0, 0.0, 0.0, 0.0, 0.0, 554.723510742188, 8.15992832183838, 4.16992521286011, 9.0, 399.012634277344, 0.0, 153.059997558594, 0.0, 196.642059326172, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.5, 0.0, 0.0, 0.0, 0.0, 0.0, 6.85337114334106, 0.0, 0.0, 0.25, 4.18154048919678, 0.0, 3.0, 0.0, 0.866025388240814, 0.0, 4.02262210845947, 0.0, 0.0, 0.0, 0.0, 2.41421365737915, 0.0, 0.0, 0.0, 0.0, 2.34933519363403, 0.0, 0.0, 0.224194183945656, 0.0, 0.0, 0.0, 0.0, -0.219010308384895, 0.0, 0.985598564147949, 0.0, 0.0, 0.0
InChI%3D1S%2FC2H4O%2Fc1-2-3%2Fh2H%2C1H3, 0.0, 0.0 0.0, 0.0, -0.0235078223049641, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 6.0, 6.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.98559856414795, 0.0, 0.813052535057068, 0.0, , 0.0, 0.0, 0.0, 0.235702261328697, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.77446913719177, 0.0, 0.0, 2.33209204673767, 0.0, 0.0, 4.0, 0.0, 39.1578178405762, 0.0, 0.0, 1.33209192752838, 1.0, 26.5063018798828, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.4356460571289, 0.0, 2.58496260643005, 0.0, 0.0, 0.0, 30.0100002288818, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.70710682868958, 0.0, 0.0, 0.5, 1.41421353816986, 1.0, 0.0, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.133489936590195, 0.0, 0.0, 0.0, 1.0, -0.0432371459901333, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H8N2O2%2Fc7-5-6-1-3-8-4-2-6%2Fh1-4H2, , 0.492799282073975 0.492799282073975, 0.348461717367172, -0.0674794390797615, 4.0, 1.0, 0.0, 0.594861328601837 0.594861328601837, 0.144337564706802, 0.0658413767814636, , 0.0, 0.492799282073975 0.492799282073975, -0.0525126047432423, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 34.0, 60.0, 0.182246178388596 0.182246178388596, 0.0, 0.0, 0.0, 0.0, 0.16547004878521 0.16547004878521, 0.0, 0.200000002980232, 0.0, 6.125, 0.0, 0.0, 0.105219885706902 0.105219885706902, 0.0, 3.11111116409302, 0.0, 0.0, 0.0, 0.0, 1.79999995231628, 0.102062076330185, 0.0, 0.0, 0.0, 0.0721687823534012, 4.53935098648071, 0.0456435456871986, 2.59238004684448, 0.020412415266037, , 0.0, 0.100000001490116, 0.0, 1.64768517017365, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.10294711589813, 0.0, 0.0, , 0.635363698005676, 0.0, 0.0, 0.0, 0.364929646253586, , , , 0.0, 0.0643950551748276, 0.0, 41.9000015258789, 0.0, 0.0166666675359011, , 0.0, 0.0, 0.0, , 0.0, 10.2689142227173, 0.0, 0.0, 9.91000843048096, 0.0, , 64.0, 0.0, 262.876770019531, 0.0, 0.0, 10.8823909759521, 0.0, 277.3349609375, 0.0, 0.0, 8.55002021789551, 0.0, 0.0, 0.0, , 0.0, 311.561798095703, 4.21764993667603, 4.0, 7.0, 211.328048706055, 0.0, 200.039993286133, 0.0, 63.7756233215332, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 5.81999111175537, , , 0.400000005960464, 3.9318516254425, 0.0, 0.0, 0.0, 0.20412415266037, 1.0, 2.91228413581848, 0.0, 0.0, 3.30192732810974, , 2.30209517478943, 0.0, 0.0, 0.0, 0.0, 1.59538793563843, 0.0, 0.0, 0.246514722704887, 0.0, 0.0, 0.0, 1.0, -0.114698752760887, 1.0, 1.10517168045044, 0.0, 0.0, 0.0
InChI%3D1S%2FCH2ClF%2Fc2-1-3%2Fh1H2, 0.0, 0.0 0.0, 0.0, 0.0242806822061539, 1.0, 0.0, 1.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 6.0, 6.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.21896457672119, 0.0, 1.06904494762421, 0.0, , 0.0, 0.0, 0.0, 0.303045749664307, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.2147979736328, 0.0, 0.0, 4.533522605896, 0.0, 0.0, 4.0, 0.0, 44.1005363464355, 0.0, 0.0, 4.66901445388794, 0.0, 30.7144584655762, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.5047273635864, 0.0, 2.58496260643005, 0.0, 0.0, 0.0, 10.0200004577637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.70710682868958, 0.0, 0.0, 0.5, 1.41421353816986, 0.0, 0.0, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.161535024642944, 0.0, 0.0, 0.0, 0.0, -0.105048194527626, 0.0, 0.0, 0.0, 1.0, 0.0
InChI%3D1S%2FC11H14N2O4%2Fc1-8%282%2916-9-6-4-5-7-10%289%2917-11%2814%2913%283%2912-15%2Fh4-8H%2C1-3H3, 0.0, 2.31178212165833 2.31178212165833, 1.61946988105774, 0.12147781252861, 0.0, 2.0, 0.0, 2.93033885955811 2.93033885955811, 1.0665534734726, -0.0245032403618097, 0.0, 0.0, 3.75760746002197 3.75760746002197, -0.0948633179068565, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 78.0, 234.0, 0.560572743415833 0.560572743415833, 0.0, 0.25, 0.0, 0.0, 0.598572313785553 0.598572313785553, 0.0, 0.977846026420593, 0.0, 15.0588235855103, 0.0, 0.0, 0.641880691051483 0.641880691051483, 0.0, 7.43801641464233, 0.0, 0.0, 0.0, 0.0, 5.01760005950928, 0.0833333358168602, 0.0, 0.0, 0.0, 0.117851130664349, 9.91417217254639, 0.0277777779847383, 5.08764410018921, 0.0226804614067078, , 2.52506470680237, 0.490821182727814, 0.0, 3.58656692504883, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.79579615592957, 0.0, 0.0305555555969477, 0.0, 1.07923436164856, 3.0, 0.0, 0.0, 0.688663840293884, 0.0, 0.0, 0.0, 0.0, 0.304850846529007, 0.0, 68.1999969482422, 0.0, 0.15500682592392, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.8178520202637, 0.0, 0.0, 19.9062843322754, 0.333333343267441, 0.0, 546.0, 0.595275402069092, 776.541748046875, 1.0, 0.0, 26.7597885131836, 2.27924919128418, 854.248291015625, 0.0, 0.0, 27.036413192749, 0.0, 0.0, 0.0, 0.0, 3.67871379852295, 1086.45166015625, 24.0400447845459, 5.08746290206909, 22.0, 1051.31408691406, 0.0, 689.059997558594, 0.0, 920.039855957031, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 7.0, 0.0, 12.8364992141724, 0.0, 0.0, 0.444444447755814, 8.04091262817383, 0.0, 0.0, 0.0, 1.21298611164093, 1.0, 7.03268384933472, 1.0, 0.0, 3.96540641784668, 0.0, 5.130539894104, 0.25, 5.91147565841675, 0.0, 0.0, 3.62277698516846, 4.0, 0.0, 0.502084016799927, 0.0, 0.0, 0.0, 2.0, -0.327963024377823, 1.0, 2.73376631736755, 0.0, 0.0, 0.0
InChI%3D1S%2FC14H18ClNO4S%2Fc1-9-5-10%282%298-16%287-9%2921%2819%2C20%2911-3-4-13%2815%2912%286-11%2914%2817%2918%2Fh3-4%2C6%2C9-10H%2C5%2C7-8H2%2C1-2H3%2C%28H%2C17%2C18%29%2Ft9-%2C10%2B, 0.0, 5.00266027450562 5.00266027450562, 2.95849251747131, 0.141889914870262, 3.0, 0.0, 1.0, 7.12658929824829 7.12658929824829, 1.62857556343079, -0.0976778417825699, 0.0, 0.0, 9.75466823577881 9.75466823577881, 0.00365432538092136, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 110.0, 311.0, 2.53184008598328 2.53184008598328, 0.0, 1.44224953651428, 1.0, 0.0, 3.68189668655396 3.68189668655396, 0.0, 0.0, 0.0, 17.3553714752197, 0.0, 0.0, 4.62019157409668 4.62019157409668, 0.0, 6.62993574142456, 0.0, 0.0, 0.0, 0.0, 3.85484838485718, 0.136082768440247, 0.0, 1.0, 0.0, 0.311449229717255, 13.1282472610474, 0.0767608880996704, 7.93219137191772, 0.2112747579813, , 4.39421653747559, 1.49243760108948, 0.0, 7.21116828918457, 0.0, 0.0, 0.0, 0.0323152802884579, 0.0, 0.0, 4.99806213378906, 0.0, 0.248749971389771, 0.0, 3.93716096878052, 2.0, 0.0269294008612633, 0.0, 2.69904756546021, 0.0, 0.0, 0.0, 0.0, 1.74055171012878, 0.0, 83.0599975585938, 0.0, 0.906793415546417, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 38.2983703613281, 3.0, 0.0, 33.8443412780762, 0.0, 0.0, 888.0, 0.25, 1739.97216796875, 1.0, 0.0, 48.0654106140137, 3.00788450241089, 2047.27709960938, 0.0, 0.0, 52.3503837585449, 0.0, 0.0, 0.0, 0.0, 2.7623987197876, 2948.66162109375, 52.4821090698242, 5.39231729507446, 35.0, 3016.94311523438, 0.0, 1180.06994628906, 0.0, 2547.84643554688, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 15.7840929031372, 0.0, 0.0, 0.444444447755814, 9.7132511138916, 0.0, 0.0, 0.0, 2.48182725906372, 0.0, 9.83087253570557, 2.0, 0.16666667163372, 4.46858263015747, 0.0, 7.39726877212524, 0.854316294193268, 11.9949750900269, 0.0, 0.0, 5.84961462020874, 3.0, 0.0, 0.440907984972, 0.16666667163372, 0.0, 0.0, 3.0, -0.219234779477119, 1.0, 4.41296148300171, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H7NO2%2Fc1-6-4-2-3-5-7%286%298%289%2910%2Fh2-5H%2C1H3, 0.0, 1.49826681613922 1.49826681613922, 0.565641164779663, -0.0226951669901609, 0.0, 0.0, 0.0, 2.17455840110779 2.17455840110779, 0.240562617778778, -0.0147978775203228, 0.0, 0.0, 2.13370633125305 2.13370633125305, -0.00175177957862616, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 46.0, 76.0, 0.463156819343567 0.463156819343567, 0.0, 0.5, 0.0, 0.0, 0.491504997014999 0.491504997014999, 0.0, 0.0, 0.0, 8.10000038146973, 0.0, 0.0, 0.390184938907623 0.390184938907623, 0.0, 3.40828394889832, 0.0, 0.0, 0.0, 0.0, 1.99111115932465, 0.0833333358168602, 0.0, 0.0, 0.0, 0.131445854902267, 5.57311105728149, 0.0277777779847383, 2.91610550880432, 0.0402003787457943, , 1.0, 0.246155083179474, 0.0, 2.04359650611877, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.31215047836304, 0.0, 0.0480260848999023, 0.0, 0.768270313739777, 1.0, 0.0, 0.0, 0.382261961698532, 0.0, 0.0, 0.0, 0.0, 0.118254981935024, 0.0, 45.8199996948242, 0.0, 0.0327086187899113, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.9089260101318, 1.0, 0.0, 11.2731170654297, 0.0, 0.0, 114.0, 0.0, 416.365631103516, 0.0, 0.0, 14.7710237503052, 1.3731781244278, 455.863525390625, 0.0, 0.0, 13.8269233703613, 0.0, 0.0, 0.0, 0.0, 1.41421353816986, 567.701110839844, 10.1587371826172, 4.32192802429199, 12.0, 467.438720703125, 0.0, 199.029998779297, 0.0, 224.225357055664, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 7.56047773361206, 0.0, 0.0, 0.400000005960464, 4.71521425247192, 0.0, 0.0, 0.0, 0.705118358135223, 0.0, 4.16961240768433, 0.0, 0.0, 3.96540641784668, 0.0, 3.03412985801697, 0.232307806611061, 4.29827976226807, 0.0, 0.0, 2.33534574508667, 4.0, 0.0, 0.065136082470417, 0.0, 0.0, 0.0, 2.0, 0.00671548675745726, 0.0, 1.34171581268311, 0.0, 0.0, 0.0
InChI%3D1S%2FC2H2Cl2O2%2Fc3-1%284%292%285%296%2Fh1H%2C%28H%2C5%2C6%29, 0.0, 1.33333337306976 1.33333337306976, 0.0, -0.157440677285194, 0.0, 0.0, 2.0, 0.0 0.0, 0.0, 0.100744463503361, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 22.0, 24.0, 0.437030732631683 0.437030732631683, 0.0, 0.5, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.22222232818604, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 1.0, 0.0, 0.0, 4.200599193573, 0.0, 2.0257134437561, 0.0, , 1.0, 0.423858374357224, 0.0, 1.73519885540009, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.560031235218048, 0.0, 0.067763090133667, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 37.2999992370605, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 22.9744453430176, 0.0, 0.0, 9.56765842437744, 0.0, 0.0, 29.0, 0.0, 210.162460327148, 1.0, 0.0, 19.0548820495605, 0.0, 200.022796630859, 0.0, 0.0, 15.7279424667358, 0.0, 0.0, 0.0, 0.0, 0.0, 194.496383666992, 0.0, 3.58496260643005, 4.0, 98.8671493530273, 0.0, 19.0400009155273, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.154700756073, 0.0, 0.0, 0.333333343267441, 2.64273452758789, 0.0, 0.0, 0.0, 0.666666686534882, 0.0, 2.48803377151489, 1.0, 0.0, 0.0, 0.0, 1.33333337306976, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.332954734563828, 0.0, 0.0, 0.0, 1.0, -0.10978115350008, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC10H14N2O4S%2Fc1-9-3-5-10%286-4-9%2917%2814%2C15%2916-8-7-12%282%2911-13%2Fh3-6H%2C7-8H2%2C1-2H3, , 3.02018260955811 3.02018260955811, 1.8101714849472, 0.0962150171399117, 2.0, 1.0, 0.0, 3.46236133575439 3.46236133575439, 0.813965380191803, -0.00520477490499616, , 0.0, 3.5672926902771 3.5672926902771, -0.129175797104836, , 0.0, 0.833333313465118, 0.0, 0.0, 0.0, 80.0, 278.0, 1.08828043937683 1.08828043937683, 0.0, 0.650697648525238, 1.0, 0.0, 1.03033792972565 1.03033792972565, 0.0, 1.10520946979523, 0.0, 15.0588235855103, 0.0, 0.0, 1.02750933170319 1.02750933170319, 0.0, 6.80529308319092, 0.0, 0.0, 0.0, 0.0, 5.01760005950928, 0.0833333358168602, 0.0, 0.0, 0.0, 0.125, 10.1181449890137, 0.0277777779847383, 5.75160121917725, 0.0518641658127308, , 0.333333343267441, 0.728383183479309, 0.0, 4.45986843109131, 0.0, 0.0, , 0.0294996798038483, 0.0, 0.0, 2.84788918495178, 0.0, 0.0722591653466225, , 1.59837079048157, 2.0, 0.00983322691172361, 0.0, 1.08890414237976, 0.0, , , 0.0, 0.694599032402039, 0.0, 84.4199981689453, 0.0, 0.265854060649872, , 0.0, 0.0, 0.0, 0.0, 0.0, 26.9456043243408, 1.0, 0.0, 27.9169006347656, 0.0, , 584.0, 0.100000001490116, 1035.41735839844, 0.0, 0.0, 32.7131538391113, 2.80282783508301, 1144.435546875, 0.0, 0.0, 31.0499267578125, 0.0, 0.0, 0.0, , 1.0433896780014, 1516.41015625, 24.6576347351074, 5.08746290206909, 22.0, 1388.28503417969, 0.0, 689.070007324219, 0.0, 1052.51599121094, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 3.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 5.0, 0.0, 12.8889055252075, , , 0.454545468091965, 7.95352554321289, 0.0, 0.0, 0.0, 1.77216470241547, 1.0, 7.35102558135986, 0.0, 0.20412415266037, 5.03405094146729, , 5.33598804473877, 0.348461717367172, 5.67068290710449, 0.0, 0.0, 3.35594153404236, 4.0, 0.0, 0.340674638748169, 0.102062076330185, 0.0, 0.0, 3.0, -0.202354148030281, 1.0, 2.34169769287109, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H12N2O3.Na%2Fc1-2-12%288-6-4-3-5-7-8%299%2815%2913-11%2817%2914-10%2812%2916%3B%2Fh3-7H%2C2H2%2C1H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29%3B%2Fq%3B%2B1%2Fp-1, 0.0, 3.75820827484131 3.75820827484131, 2.31121063232422, 0.316538482904434, 1.0, 0.0, 0.0, 7.24003458023071 7.24003458023071, 1.17533838748932, -0.429574400186539, 0.0, 0.0, 8.61607551574707 8.61607551574707, 0.204809412360191, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 88.0, 1640261632.0, 1.25214540958405 1.25214540958405, 0.0, 0.75, 0.0, 0.0, 1.69809079170227 1.69809079170227, 0.0, 0.0, 0.0, 16.0555553436279, 0.0, 0.0, 1.48883140087128 1.48883140087128, 0.0, 6.43787002563477, 0.0, 1.0, 0.0, 0.0, 2.80496716499329, 0.150174587965012, 0.0, 1.0, 0.0, 0.25716707110405, 8.84374713897705, 0.0445750132203102, 5.04350185394287, 0.0418196171522141, , 2.67269611358643, 0.50182318687439, 0.0, 3.56649994850159, 0.0, 3.03934264183044, 0.0, 0.0441941730678082, 0.0, 0.0, 2.72258996963501, 0.0, 0.127614244818687, 0.0, 1.76189172267914, 1.0, 0.0235702265053988, 0.0, 1.02248740196228, 0.0, 0.0, 0.0, 0.0, 0.47629052400589, 0.0, 85.0800018310547, 0.0, 0.223564103245735, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.7071685791016, 1.0, 0.0, 19.6610164642334, 0.0, 0.0, 17000000512.0, 0.0, 1063.35485839844, 3.0, 0.0, 29.570405960083, 1.63976919651031, 1262.08947753906, 1.0, 0.0, 35.3180313110352, 0.0, 0.0, 0.0, 0.0, 1.17348229885101, 1822.78662109375, 35.7520942687988, 5.16992521286011, 31.0, 1976.37292480469, 0.0, 535.059997558594, 0.5, 1529.02648925781, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 6.0, 0.0, 12.4662551879883, 0.0, 0.0, 0.999000012874603, 8.10822582244873, 0.0, 0.0, 0.0, 1.29103946685791, 2.0, 7.17953109741211, 0.0, 0.0680413842201233, 6.94562911987305, 0.0, 6.324462890625, 0.635379731655121, 7.5181999206543, 0.0, 0.0, 5.65824890136719, 5.0, 0.0, 0.482461720705032, 0.130245730280876, 2.62074136734009, 0.0, 1.0, -0.325257450342178, 0.0, 3.53914260864258, 0.0, 0.0, 0.0
InChI%3D1S%2FC5H10N2O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H2, , 0.492799282073975 0.492799282073975, 0.348461717367172, 0.0296408515423536, 5.0, 0.0, 0.0, 0.594861328601837 0.594861328601837, 0.144337564706802, -0.0211913622915745, , 0.0, 0.492799282073975 0.492799282073975, -0.00503975944593549, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 34.0, 60.0, 0.182246178388596 0.182246178388596, 0.0, 0.0, 0.0, 0.0, 0.207735031843185 0.207735031843185, 0.0, 0.0, 0.0, 6.125, 0.0, 0.0, 0.182246178388596 0.182246178388596, 0.0, 3.11111116409302, 0.0, 0.0, 0.0, 0.0, 1.79999995231628, 0.102062076330185, 0.0, 0.0, 0.0, 0.0721687823534012, 4.83820915222168, 0.079056940972805, 3.01502966880798, 0.0353553406894207, , 0.0, 0.100000001490116, 0.0, 2.09597301483154, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.44792556762695, 0.0, 0.0, , 0.958864688873291, 0.0, 0.0, 0.0, 0.632076680660248, , , , 0.0, 0.111535504460335, 0.0, 32.6699981689453, 0.0, 0.0288675129413605, , 0.0, 0.0, 0.0, , 0.0, 9.49444484710693, 0.0, , 9.24582481384277, 0.0, , 64.0, 0.0, 311.324554443359, 0.0, 0.0, 10.218207359314, 0.0, 327.308410644531, 0.0, 0.0, 8.16273975372314, 0.0, 0.0, 0.0, , 0.0, 366.583984375, 3.83036923408508, 4.0, 7.0, 248.194778442383, 0.0, 268.029998779297, 0.0, 75.7559509277344, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 2.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 3.0, 0.0, 5.81999111175537, , , 0.400000005960464, 3.9318516254425, 0.0, 0.0, 0.0, 0.20412415266037, 1.0, 2.91228413581848, 0.0, 0.0, 6.08364343643188, , 2.30209517478943, 0.0, 0.0, 0.0, 0.0, 1.59538793563843, 0.0, 0.0, 0.0583950057625771, 0.0, 0.0, 0.0, 1.0, -0.0322024784982204, 1.0, 1.10517168045044, 0.0, 0.0, 0.0
InChI%3D1S%2FC21H32O3%2Fc1-19-11-13%2812-22%2918%2823%2910-14%2819%294-5-15-16%2819%296-8-20%282%2917%2815%297-9-21%2820%2C3%2924%2Fh12%2C14-17%2C22%2C24H%2C4-11H2%2C1-3H3%2Ft14-%2C15%3F%2C16-%2C17-%2C19%3F%2C20%3F%2C21-%2Fm0%2Fs1, 0.0, 8.50955963134766 8.50955963134766, 5.57715749740601, -0.0144480392336845, 8.0, 0.0, 0.0, 13.2270736694336 13.2270736694336, 4.24999094009399, -0.082124724984169, 0.0, 0.0, 18.9637851715088 18.9637851715088, 0.0417371690273285, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 144.0, 408.0, 6.81848001480103 6.81848001480103, 0.0, 0.407162636518478, 0.0, 0.0, 10.7337303161621 10.7337303161621, 0.0, 0.0, 0.0, 17.4156379699707, 0.0, 0.0, 14.9092149734497 14.9092149734497, 0.0, 5.49728393554688, 0.0721687823534012, 2.0, 0.0, 0.0, 2.26420140266418, 0.453541606664658, 0.0721687823534012, 2.0, 0.0, 1.1479287147522, 15.3462810516357, 0.401619553565979, 9.81630516052246, 0.942852556705475, , 5.68821859359741, 2.53617095947266, 0.0, 9.88401985168457, 0.0, 6.01918745040894, 0.0, 0.298970133066177, 0.0, 0.0, 9.14449596405029, 0.0, 1.37572276592255, 0.0, 7.37056446075439, 3.0, 0.432612061500549, 0.0, 5.9267578125, 0.0, 0.0, 0.0, 0.0, 4.55968570709229, 0.0, 57.5299987792969, 0.0, 3.38091492652893, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 26.3234062194824, 5.0, 0.0, 27.9962768554688, 0.0, 0.0, 1160.0, 0.598408460617065, 2203.70703125, 2.0, 0.0, 46.9925537109375, 6.54774618148804, 2778.27416992188, 3.0, 0.0, 55.988826751709, 0.0, 0.0, 0.0, 0.0, 4.32477903366089, 4504.02587890625, 44.7670211791992, 5.58496236801147, 53.0, 4898.6611328125, 0.0, 2929.03002929688, 3.62324571609497, 3811.51879882812, 0.0, 0.0, 0.0, 0.0, 0.0, 1.10520946979523, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 8.0, 0.0, 17.3280620574951, 0.0, 0.0, 0.5, 11.2271289825439, 1.0, 0.0, 0.0, 3.19566488265991, 0.0, 11.6210718154907, 4.0, 0.396689891815186, 9.88078212738037, 0.0, 10.7686910629272, 1.86344802379608, 19.1567497253418, 0.0, 0.0, 8.68899250030518, 0.0, 0.0, 0.252665162086487, 0.694335222244263, 9.02748012542725, 0.0, 1.0, -0.0690822303295135, 0.0, 7.21958541870117, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H8N4O3S%2Fc1-2-7-5%2811%299-6-8-3-4%2814-6%2910%2812%2913%2Fh3H%2C2H2%2C1H3%2C%28H2%2C7%2C8%2C9%2C11%29, 0.0, 1.76964461803436 1.76964461803436, 1.25572001934052, 0.193766430020332, 1.0, 0.0, 0.0, 2.23134541511536 2.23134541511536, 0.70243114233017, -0.238612085580826, 0.0, 0.0, 2.29900169372559 2.29900169372559, 0.209619492292404, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 1.0, 64.0, 190.0, 0.62237012386322 0.62237012386322, 0.0, 0.650697648525238, 0.0, 0.0, 0.679357886314392 0.679357886314392, 0.0, 0.0, 0.0, 12.0714282989502, 0.0, 0.0, 0.499705821275711 0.499705821275711, 0.0, 5.77777767181396, 0.117851130664349, 0.0, 0.0, 0.0, 3.96000003814697, 0.151374712586403, 0.079056940972805, 1.0, 0.0, 0.232307806611061, 8.11455249786377, 0.0748838111758232, 4.55452919006348, 0.0663094148039818, , 1.19055080413818, 0.382312327623367, 0.0, 3.1928083896637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.06448912620544, 0.0, 0.0263523142784834, 0.0, 1.3185099363327, 1.0, 0.0, 0.0, 0.591188848018646, 0.0, 0.0, 0.0, 0.0, 0.329299509525299, 0.0, 131.570007324219, 0.0, 0.137019068002701, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.89111328125, 0.0, 0.0, 19.9418907165527, 0.0, 0.0, 340.0, 0.0, 745.854064941406, 1.0, 0.0, 29.7742938995361, 0.755928933620453, 829.302612304688, 0.0, 0.0, 24.4680519104004, 0.0, 0.0, 0.0, 0.0, 0.635903894901276, 1041.14135742188, 22.2126979827881, 4.80735492706299, 15.0, 783.014221191406, 0.0, 302.079986572266, 0.0, 673.388610839844, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 1.19055080413818, 0.0, 0.0, 0.721124768257141, 0.0, 0.0, 10.5520420074463, 0.0, 0.0, 0.444444447755814, 6.63022899627686, 0.0, 1.0, 0.0, 0.992799282073975, 1.0, 5.8127236366272, 0.0, 0.0, 0.16666667163372, 0.0, 4.0417742729187, 0.16666667163372, 2.22550916671753, 1.0, 0.0, 3.11289405822754, 1.0, 0.0, 0.375253736972809, 0.0, 0.0, 0.0, 2.0, -0.256515681743622, 0.0, 1.78974807262421, 0.0, 0.0, 0.0
InChI%3D1S%2FC14H12N4O2%2Fc15-5-1-2-6%2816%2910-9%285%2913%2819%2911-7%2817%293-4-8%2818%2912%2811%2914%2810%2920%2Fh1-4H%2C15-18H2, 0.0, 4.61717653274536 4.61717653274536, 3.77655386924744, 0.0194169376045465, 0.0, 0.0, 0.0, 8.6706075668335 8.6706075668335, 2.81698250770569, -0.184582933783531, 0.0, 0.0, 14.3914127349854 14.3914127349854, -0.182518303394318, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 112.0, 250.0, 1.49564480781555 1.49564480781555, 0.0, 0.200000002980232, 0.0, 0.0, 2.1728196144104 2.1728196144104, 0.0, 0.0, 0.0, 14.9173555374146, 0.0, 0.0, 2.8526816368103 2.8526816368103, 0.0, 5.32525968551636, 0.0, 0.0, 0.0, 0.0, 2.20320010185242, 0.148148149251938, 0.0, 0.0, 0.0, 0.510129749774933, 10.4352989196777, 0.0572916679084301, 5.88431596755981, 0.13378694653511, , 20.4354267120361, 0.685395419597626, 4.0, 4.64628219604492, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.44784903526306, 0.0, 0.165614366531372, 0.0, 2.49830198287964, 0.0, 0.0, 0.0, 1.74880015850067, 0.0, 0.0, 0.0, 0.0, 0.963543474674225, 0.0, 138.220001220703, 1.00943446159363, 0.568590462207794, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 22.9888896942139, 4.0, 0.0, 23.3289241790771, 0.0, 0.0, 670.0, 0.0, 1508.57116699219, 2.0, 0.0, 36.6578483581543, 0.0, 1856.923828125, 0.0, 0.0, 45.6509590148926, 0.0, 0.0, 0.0, 0.0, 0.0, 2829.77001953125, 47.5290069580078, 5.32192802429199, 41.0, 3168.52270507812, 0.0, 776.059997558594, 0.0, 2699.17749023438, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 8.0, 0.0, 14.6019296646118, 0.0, 0.0, 0.428571432828903, 9.43042850494385, 0.0, 0.0, 0.0, 1.77215361595154, 0.0, 9.09147071838379, 0.0, 0.0, 1.72610878944397, 0.0, 8.100341796875, 0.64494389295578, 12.835376739502, 0.0, 0.0, 7.3269305229187, 4.0, 0.0, 0.365104496479034, 0.0, 0.0, 0.0, 2.0, -0.0350829362869263, 0.0, 6.19129323959351, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H12N2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10%2C13-14H, 0.0, 0.866025388240814 0.866025388240814, 1.28445708751678, -0.0334424786269665, 0.0, 0.0, 0.0, 1.18728744983673 1.18728744983673, 0.870790839195251, -0.00252466835081577, 0.0, 0.0, 1.33742988109589 1.33742988109589, 0.00620772875845432, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 66.0, 212.0, 0.27578341960907 0.27578341960907, 0.0, 0.0, 0.0, 0.0, 0.304558366537094 0.304558366537094, 0.0, 0.0, 0.0, 10.5155553817749, 0.0, 0.0, 0.280080646276474 0.280080646276474, 0.0, 5.77777767181396, 0.0, 0.0, 0.0, 0.0, 3.59183669090271, 0.20412415266037, 0.0, 0.0, 0.0, 0.144337564706802, 7.77350282669067, 0.0641500279307365, 4.57136726379395, 0.0320750139653683, , 0.333333343267441, 0.16666667163372, 0.0, 2.98205089569092, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.89875328540802, 0.0, 0.0, 0.0, 1.18730998039246, 0.0, 0.0, 0.0, 0.758903026580811, 0.0, 0.0, 0.0, 0.0, 0.264043152332306, 0.0, 24.0599994659424, 0.0, 0.143186122179031, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.7199764251709, 0.0, 0.0, 15.6923589706421, 0.0, 0.0, 343.0, 0.0, 777.114624023438, 0.0, 0.0, 18.9971122741699, 0.0, 848.119384765625, 0.0, 0.0, 16.3294811248779, 0.0, 0.0, 0.0, 0.0, 0.0, 1019.50439453125, 10.9971113204956, 4.80735492706299, 15.0, 855.850769042969, 0.0, 547.02001953125, 0.0, 586.114501953125, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 12.0, 0.0, 9.63998222351074, 0.0, 0.0, 0.444444447755814, 6.94948959350586, 0.0, 2.0, 0.0, 0.40824830532074, 0.0, 5.58542203903198, 0.0, 0.0, 12.7378730773926, 0.0, 4.43265295028687, 0.0, 7.16293048858643, 0.0, 0.0, 3.42303419113159, 10.0, 0.0, 0.0539545640349388, 0.0, 0.0, 0.0, 0.0, 0.000488764024339616, 0.0, 2.70790815353394, 0.0, 0.0, 0.0
InChI%3D1S%2FC5H8O2%2Fc1-3-5%286%297-4-2%2Fh3H%2C1%2C4H2%2C2H3, 0.0, 0.492799282073975 0.492799282073975, 0.0, 0.0750105679035187, 1.0, 1.0, 0.0, 0.40824830532074 0.40824830532074, 0.0, -0.0217447988688946, 0.0, 0.0, 0.20412415266037 0.20412415266037, -0.00594064220786095, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 24.0, 45.0, 0.0680413842201233 0.0680413842201233, 0.0, 0.0, 0.0, 0.0, 0.0580769516527653 0.0580769516527653, 0.0, 0.5, 0.0, 7.0, 0.0, 0.0, 0.0240562614053488 0.0240562614053488, 0.0, 4.16666650772095, 0.0, 0.0, 0.0, 0.0, 3.83999991416931, 0.0, 0.0, 0.0, 0.0, 0.0, 4.30806064605713, 0.0, 2.10095357894897, 0.0, , 0.0, 0.0481125228106976, 0.0, 0.956172466278076, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.453263133764267, 0.0, 0.0, 0.0, 0.201184466481209, 1.0, 0.0, 0.0, 0.0589255653321743, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 26.2999992370605, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.54893779754639, 0.0, 0.0, 6.99627590179443, 0.0, 0.0, 50.0, 0.200000002980232, 200.170608520508, 1.0, 0.0, 7.77074480056763, 2.0, 184.141876220703, 0.0, 0.0, 5.99627590179443, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 172.791488647461, 3.33209204673767, 3.80735492706299, 5.0, 132.582962036133, 0.0, 154.020004272461, 0.0, 74.7263870239258, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 5.69867038726807, 0.0, 0.0, 0.400000005960464, 3.30806040763855, 1.0, 0.0, 0.0, 0.288675129413605, 0.0, 2.30209517478943, 0.0, 0.0, 0.333333343267441, 0.0, 1.47839784622192, 0.0, 1.41421353816986, 0.0, 0.0, 0.696923434734344, 0.0, 0.0, 0.272876739501953, 0.0, 0.0, 0.0, 1.0, -0.183973640203476, 0.0, 0.20412415266037, 0.0, 0.0, 0.0
InChI%3D1S%2FC14H13NO%2Fc1-11%2816%2915-14-9-7-13%288-10-14%2912-5-3-2-4-6-12%2Fh2-10H%2C1H3%2C%28H%2C15%2C16%29, 0.0, 1.58503758907318 1.58503758907318, 1.82764005661011, 0.0165704842656851, 0.0, 0.0, 0.0, 2.47384715080261 2.47384715080261, 1.4064017534256, -0.00143035128712654, 0.0, 0.0, 2.98875188827515 2.98875188827515, -0.00376608711667359, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 78.0, 255.0, 0.55823427438736 0.55823427438736, 0.0, 0.0, 0.0, 0.0, 0.715137958526611 0.715137958526611, 0.0, 0.0, 0.0, 12.4567470550537, 0.0, 0.0, 0.718232333660126 0.718232333660126, 0.0, 6.07438039779663, 0.0, 0.0, 0.0, 0.0, 3.76923084259033, 0.185395404696465, 0.0, 1.0, 0.0, 0.165963649749756, 9.09057998657227, 0.0598527938127518, 5.15287113189697, 0.0423489958047867, , 2.00414514541626, 0.341202259063721, 0.0, 3.57191634178162, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.26532983779907, 0.0, 0.0277777779847383, 0.0, 1.54585325717926, 1.0, 0.0, 0.0, 1.00666975975037, 0.0, 0.0, 0.0, 0.0, 0.461227238178253, 0.0, 32.5900001525879, 0.0, 0.287189811468124, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.1344566345215, 2.0, 0.0, 17.6644630432129, 0.0, 0.0, 483.0, 0.0, 945.531494140625, 1.0, 0.0, 23.3841133117676, 1.38443660736084, 1061.57495117188, 0.0, 0.0, 20.6644630432129, 0.0, 0.0, 0.0, 0.0, 1.19389832019806, 1370.71142578125, 17.8303699493408, 5.0, 20.0, 1261.087890625, 0.0, 660.02001953125, 0.0, 980.95751953125, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 11.3804693222046, 0.0, 0.0, 0.5, 7.75402021408081, 0.0, 0.0, 0.0, 0.945705771446228, 1.0, 6.80844497680664, 0.0, 0.0, 12.7816572189331, 0.0, 5.01264619827271, 0.0833333358168602, 12.6058540344238, 0.0, 0.0, 4.16757678985596, 9.0, 0.0, 0.147502928972244, 0.0, 0.0, 0.0, 0.0, -0.0847602859139442, 0.0, 3.26419067382812, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-5-11%286-3-9%2914%2812%2910-4-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29, 0.0, 2.18041300773621 2.18041300773621, 1.12009978294373, 0.346750259399414, 7.0, 1.0, 2.0, 3.36681795120239 3.36681795120239, 0.492799282073975, -0.089303694665432, 0.0, 0.0, 4.10933446884155 4.10933446884155, -0.291282176971436, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 64.0, 149.0, 0.898287653923035 0.898287653923035, 0.0, 0.0, 0.0, 0.0, 1.40006458759308 1.40006458759308, 0.0, 0.5, 0.0, 12.0714282989502, 0.0, 0.0, 1.67760372161865 1.67760372161865, 0.0, 5.77777767181396, 0.0, 0.0, 1.0, 0.0, 3.27272725105286, 0.0883883461356163, 0.0, 0.0, 0.0, 0.139419376850128, 9.65240097045898, 0.0484365150332451, 6.06197643280029, 0.0414355918765068, , 0.0, 0.378565520048141, 0.0, 4.24890756607056, 0.0, 0.0, 0.0, 0.0250125098973513, 0.0, 0.0, 2.8706750869751, 0.0, 0.0862803980708122, 0.0, 2.23238754272461, 0.0, 0.0125062549486756, 0.0, 1.5621166229248, 0.0, 0.0, 0.0, 0.0, 0.717804193496704, 0.0, 51.3800010681152, 0.0, 0.31220617890358, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 37.3448333740234, 0.0, 0.0, 27.6194343566895, 0.0, 0.0, 301.0, 0.0, 652.746704101562, 0.0, 0.0, 32.3978004455566, 0.0, 702.064270019531, 0.0, 0.0, 31.7766342163086, 0.0, 0.0, 0.0, 0.0, 0.0, 867.816711425781, 36.2866058349609, 4.80735492706299, 19.0, 894.075805664062, 0.0, 659.070007324219, 0.0, 759.905883789062, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 1.0, 0.0, 10.4413108825684, 0.0, 0.0, 0.428571432828903, 6.72649192810059, 0.0, 1.0, 0.0, 0.946923434734344, 0.0, 5.48896408081055, 0.0, 0.144337564706802, 6.77558326721191, 0.0, 4.25565433502197, 0.27629292011261, 0.0, 0.0, 0.0, 3.30588698387146, 0.0, 0.0, 0.475796908140182, 0.0721687823534012, 0.0, 0.0, 1.0, -0.399710416793823, 1.0, 2.48761653900146, 0.0, 0.0, 0.0
InChI%3D1S%2FC2H6N2O%2Fc1-3-4%282%295%2Fh1-2H3, 0.0, , , -0.0511213056743145, 0.0, 0.0, 0.0, , , 0.00920144189149141, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 16.0, 19.0, , 0.0, 0.0, 0.0, , , , 0.0, 0.0, 5.0, , 0.0, , 0.0, 2.25, , 0.0, 0.0, , 4.0, , , 0.0, 0.0, , , , , , , 0.0, , 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, , 0.0, , 2.0, , 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 41.1100006103516, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.49444532394409, 0.0, 0.0, 5.24582433700562, 0.0, 0.0, 18.0, 0.333333343267441, , 0.0, 0.0, 5.21792840957642, 0.0, , 0.0, 0.0, 2.33209204673767, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 3.32192802429199, 2.0, , 0.0, 80.0299987792969, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.333333343267441, , 0.0, 0.0, 0.0, , 1.0, , 0.0, , 0.0, 0.0, , , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.125866964459419, , 0.0, 0.0, 1.0, -0.0210136231034994, 0.0, , 0.0, 0.0, 0.0
InChI%3D1S%2FC6H7ClN%2Fc7-9-6-4-2-1-3-5%286%298%2Fh1-4H%2C8H2, 0.0, 0.40824830532074 0.40824830532074, 0.20412415266037, -0.00447217142209411, 0.0, 0.0, 0.0, 0.433012694120407 0.433012694120407, 0.0, -0.000343292398611084, 0.0, 0.0, 0.40824830532074 0.40824830532074, -1.39431194838835e-05, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 30.0, 1115098112.0, 0.111111111938953 0.111111111938953, 0.0, 0.0, 0.0, 0.0, 0.0962250456213951 0.0962250456213951, 0.0, 0.0, 0.0, 8.0, 0.0, 0.0, 0.0740740746259689 0.0740740746259689, 0.0, 3.9375, 0.0, 0.0, 0.0, 0.0, 2.8125, 0.102062076330185, 0.0, 0.0, 0.0, 0.102062076330185, 5.18884658813477, 0.0320750139653683, 2.19935870170593, 0.0185185186564922, , 0.0, 0.0962250456213951, 0.0, 1.41068363189697, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.799572467803955, 0.0, 0.0, 0.0, 0.453038930892944, 0.0, 0.0, 0.0, 0.256600111722946, 0.0, 0.0, 0.0, 0.0, 0.0370370373129845, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 16.0727424621582, 0.0, 0.0, 7.16618537902832, 0.0, 0.0, 7000000000.0, 0.0, , 0.0, 0.0, 8.33237075805664, 0.0, , 0.0, 0.0, 5.33237028121948, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.16618525981903, 4.0, 5.0, , 0.0, 25.0200004577637, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 5.11288404464722, 0.0, 0.0, 0.999000012874603, 3.3938467502594, 0.0, 0.0, 0.0, 0.288675129413605, 0.0, 2.74318218231201, 0.0, 0.0, 6.08364343643188, 0.0, 1.89384686946869, 0.0, 3.04182171821594, 0.0, 0.0, 1.30671286582947, 1.0, 0.0, 0.0269772820174694, 0.0, 0.0, 0.0, 0.0, -0.00865923427045345, 0.0, 0.901047587394714, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H9N3O3S%2Fc16-12-7-3-1-2-4-8%287%2913-11%2814-12%299-5-6-10%2819-9%2915%2817%2918%2Fh1-6%2C11%2C13H%2C%28H%2C14%2C16%29, 0.0, 3.28471231460571 3.28471231460571, 3.30791139602661, 0.0260030757635832, 0.0, 0.0, 0.0, 4.77707195281982 4.77707195281982, 2.19343996047974, 0.0467441938817501, 0.0, 0.0, 6.46119165420532 6.46119165420532, -0.132208362221718, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 102.0, 318.0, 1.38852727413177 1.38852727413177, 0.0, 0.595275402069092, 0.0, 0.0, 1.71969139575958 1.71969139575958, 0.0, 0.0, 0.0, 13.9591836929321, 0.0, 0.0, 1.83527803421021 1.83527803421021, 0.0, 5.78000020980835, 0.117851130664349, 0.0, 0.0, 0.0, 2.88000011444092, 0.274971663951874, 0.102062076330185, 1.0, 0.0, 0.544827580451965, 10.424334526062, 0.148484319448471, 6.33429670333862, 0.181132480502129, , 6.07259321212769, 0.658393144607544, 0.0, 5.07208108901978, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.86295175552368, 0.0, 0.107262946665287, 0.0, 2.70886492729187, 0.0, 0.0, 0.0, 1.7320464849472, 0.0, 0.0, 0.0, 0.0, 1.03120076656342, 0.0, 118.680000305176, 0.0, 0.591856837272644, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 28.5311241149902, 1.0, 0.0, 26.6095199584961, 0.0, 0.0, 701.0, 0.0, 1356.65380859375, 1.0, 0.0, 40.8041305541992, 0.0, 1621.06530761719, 0.0, 0.0, 41.4958534240723, 0.0, 0.0, 0.0, 0.0, 0.0, 2288.08251953125, 32.5471611022949, 5.24792766571045, 29.0, 2099.146484375, 0.0, 558.070007324219, 0.0, 1744.9150390625, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.400000005960464, 8.0, 0.0, 13.4054126739502, 0.0, 0.0, 0.5, 9.14786720275879, 0.0, 1.0, 0.0, 1.3717850446701, 1.0, 8.49438858032227, 1.0, 0.0, 4.70643424987793, 0.0, 7.10202932357788, 0.414266437292099, 11.3806419372559, 0.0, 0.0, 5.88682413101196, 6.0, 0.0, 0.311345279216766, 0.0, 0.0, 0.0, 2.0, -0.155254080891609, 0.0, 4.59363174438477, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H8O2%2Fc1-5-2-3-6%288%297%289%294-5%2Fh2-4%2C8-9H%2C1H3, 0.0, 1.47827804088593 1.47827804088593, 0.504473328590393, -0.0821357741951942, 0.0, 0.0, 0.0, 1.55802857875824 1.55802857875824, 0.0680413842201233, 0.0340674221515656, 0.0, 0.0, 2.07593297958374 2.07593297958374, -0.00126490369439125, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 42.0, 67.0, 0.381371676921844 0.381371676921844, 0.0, 0.333333343267441, 0.0, 0.0, 0.356103539466858 0.356103539466858, 0.0, 0.0, 0.0, 7.11111116409302, 0.0, 0.0, 0.367550253868103 0.367550253868103, 0.0, 2.72222232818604, 0.0, 0.0, 0.0, 0.0, 1.70414197444916, 0.0680413842201233, 0.0, 2.0, 0.0, 0.20412415266037, 5.12647819519043, 0.0240562614053488, 2.68524742126465, 0.0455728359520435, , 1.65096366405487, 0.295766115188599, 0.0, 1.99216866493225, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.13091611862183, 0.0, 0.0166666675359011, 0.0, 0.633467674255371, 1.0, 0.0, 0.0, 0.377514511346817, 0.0, 0.0, 0.0, 0.0, 0.109779573976994, 0.0, 40.4599990844727, 0.0, 0.00481125246733427, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.5489377975464, 1.0, 0.0, 9.66418361663818, 0.0, 0.0, 84.0, 0.0, 392.791473388672, 0.0, 0.0, 13.3283681869507, 1.31037068367004, 425.86669921875, 0.0, 0.0, 12.1028366088867, 0.0, 0.0, 0.0, 0.0, 1.31037068367004, 532.6435546875, 4.99627590179443, 4.16992521286011, 10.0, 401.422637939453, 0.0, 217.020004272461, 0.0, 141.229187011719, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 6.85337114334106, 0.0, 0.0, 0.400000005960464, 4.19837713241577, 0.0, 0.0, 0.0, 0.760079681873322, 0.0, 3.87279200553894, 0.0, 0.0, 1.65096366405487, 0.0, 2.86036610603333, 0.16666667163372, 5.85380077362061, 0.0, 0.0, 1.81676292419434, 3.0, 0.0, 0.166801363229752, 0.0, 0.0, 0.0, 0.0, -0.0340464487671852, 0.0, 1.33160018920898, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H10N3O.ClH%2Fc9-4-3-6-1-2-8%2812%297%285-6%2911-10%3B%2Fh1-2%2C5%2C10H%2C3-4%2C9H2%3B1H, 0.0, 1.45393574237823 1.45393574237823, 1.09366118907928, -0.0864598602056503, 2.0, 0.0, 0.0, 2.00701880455017 2.00701880455017, 0.625445246696472, 0.0317313522100449, 0.0, 0.0, 2.39309597015381 2.39309597015381, 0.0344801470637321, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 54.0, -1769803776.0, 0.471631586551666 0.471631586551666, 0.0, 0.0, 0.0, 0.0, 0.504645347595215 0.504645347595215, 0.0, 0.0, 0.0, 13.0, 0.0, 0.0, 0.507469296455383 0.507469296455383, 0.0, 6.45333337783813, 0.0, 0.0, 0.0, 0.0, 3.70370364189148, 0.0680413842201233, 0.0, 0.0, 0.0, 0.164266422390938, 7.56371450424194, 0.0240562614053488, 3.55751299858093, 0.0438416190445423, , 1.65096366405487, 0.278838753700256, 1.0, 2.48075008392334, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.55791294574738, 0.0, 0.0240562614053488, 0.0, 0.954966366291046, 0.0, 0.0, 0.0, 0.566849708557129, 0.0, 0.0, 0.0, 0.0, 0.256277352571487, 0.0, 43.0900001525879, 0.142857149243355, 0.0881144553422928, 0.0, 0.816496610641479, 1.0, 0.0, 0.0, 0.0, 22.5671863555908, 0.0, 0.0, 13.024450302124, 0.0, 0.0, 12000000000.0, 0.0, 645.029907226562, 3.0, 0.0, 16.3289241790771, 0.0, 701.324768066406, 0.0, 0.0, 17.0485763549805, 0.0, 0.0, 0.0, 0.0, 0.0, 874.03515625, 12.8826694488525, 4.70043992996216, 15.0, 786.752685546875, 0.0, 328.049987792969, 0.0, 496.414978027344, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 1.0, 0.0, 8.97469139099121, 0.0, 0.0, 0.999000012874603, 5.77438688278198, 3.0, 0.0, 0.0, 0.606493055820465, 0.0, 4.61336469650269, 0.0, 0.0, 4.55655384063721, 0.0, 3.692378282547, 0.117851130664349, 7.67819404602051, 0.0, 0.0, 2.75208020210266, 0.0, 0.0, 0.199612781405449, 0.0, 0.0, 0.0, 1.0, -0.0441598109900951, 0.0, 1.97430825233459, 0.0, 0.0, 0.0
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H, 0.0, 0.0 0.0, 0.0, 0.0365601144731045, 0.0, 0.0, 3.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 12.0, 9.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.33333337306976, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 3.97903060913086, 0.0, 1.96396100521088, 0.0, , 0.0, 0.841697573661804, 0.0, 2.22692251205444, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 27.1382598876953, 0.0, 0.0, 8.85521221160889, 0.0, 0.0, 9.0, 0.0, 177.885971069336, 0.0, 0.0, 26.1382598876953, 0.0, 151.20263671875, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 105.975578308105, 0.0, 3.0, 0.0, 0.0, 0.0, 4.03000020980835, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.5773503780365, 0.0, 0.0, 0.5, 1.73205077648163, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 1.73205077648163, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.146240457892418, 0.0, 0.0, 0.0, 0.0, -0.109680347144604, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC5H12N2O4%2Fc8-2-1-7%286-11%293-5%2810%294-9%2Fh5%2C8-10H%2C1-4H2, , 0.921654641628265 0.921654641628265, 0.402368932962418, -0.132803082466125, 4.0, 0.0, 0.0, 1.09341299533844 1.09341299533844, 0.0833333358168602, 0.080247737467289, , 0.0, 1.17466759681702 1.17466759681702, -0.0187280792742968, , 0.0, 0.75, 0.0, 0.0, 0.0, 42.0, 105.0, 0.284740597009659 0.284740597009659, , 1.16253924369812, 0.0, 0.0, 0.283994674682617 0.283994674682617, 0.0, 0.0, 0.0, 11.0, 0.0, 0.0, 0.211227580904961 0.211227580904961, 0.0, 6.69421482086182, 0.0, 0.0, 0.0, 0.0, 5.28925609588623, 0.0, 0.0, 3.0, 0.0, 0.0, 6.05009365081787, 0.0, 3.22218060493469, 0.0, , 0.0, 0.229099437594414, 0.0, 2.05428457260132, 0.0, 0.0, , 0.0, , 0.0, 1.10583126544952, 0.0, 0.0, , 0.581884324550629, 0.0, 0.0, 0.0, 0.269578874111176, , , , 0.0, 0.0865333676338196, , 93.3600006103516, 0.0, 0.0129099441692233, , 0.0, 0.0, 0.0, , 0.0, 14.8178520202637, 0.0, , 12.2421007156372, 0.0, , 176.0, 0.0, 366.863006591797, 0.0, 0.0, 13.5465745925903, 0.0, 375.336242675781, 0.0, 0.0, 14.3762331008911, 0.0, 0.0, 0.0, , 0.0, 406.310699462891, 13.1549510955811, 4.45943164825439, 11.0, 362.278961181641, 0.0, 374.059997558594, 0.0, 290.172515869141, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 8.69023418426514, , , 0.428571432828903, 5.23991203308105, 0.0, 0.0, 0.0, 0.492799282073975, 1.0, 3.8120710849762, 1.0, 0.0, 2.40685200691223, , 2.70689940452576, 0.0, 2.14913988113403, 0.0, 0.0, 1.63259243965149, 0.0, 0.0, 0.345785915851593, 0.0, 0.0, 0.0, 1.0, -0.0820218622684479, 1.0, 1.04337978363037, 0.0, 0.0, 0.0
InChI%3D1S%2FC19H27NO6%2Fc1-5-13-10-12%282%2919%283%2C24%2918%2823%2925-11-14-6-8-20%284%299-7-15%2816%2814%2921%2926-17%2813%2922%2Fh5-6%2C12%2C15%2C24H%2C7-11H2%2C1-4H3%2Fb13-5%3F%2C14-6-%2Ft12-%2C15-%2C19-%2Fm1%2Fs1, 0.0, 6.38302421569824 6.38302421569824, 3.73782420158386, 0.0119366915896535, 5.0, 2.0, 0.0, 7.42681550979614 7.42681550979614, 2.56253910064697, 0.0978848561644554, 0.0, 0.0, 9.33353137969971 9.33353137969971, -0.145314767956734, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 132.0, 423.0, 2.59340453147888 2.59340453147888, 0.0, 1.09913980960846, 0.0, 0.0, 2.49055099487305 2.49055099487305, 0.0, 2.11227893829346, 0.0, 22.2908096313477, 0.0, 0.0, 2.71952247619629 2.71952247619629, 0.0, 9.46745586395264, 0.0, 0.0, 0.0, 0.0, 5.51770114898682, 0.0, 0.0, 1.0, 0.0, 0.0, 15.7806034088135, 0.0, 8.83952713012695, 0.0, , 7.17539262771606, 1.30723750591278, 0.0, 7.18122243881226, 0.0, 2.47687101364136, 0.0, 0.0645497217774391, 0.0, 0.0, 5.14895248413086, 0.0, 0.350518107414246, 0.0, 2.91905474662781, 4.0, 0.0564018338918686, 0.0, 1.97462999820709, 0.0, 0.0, 0.0, 0.0, 1.23979723453522, 0.0, 93.1399993896484, 0.0, 0.749907076358795, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 31.0068016052246, 2.0, 0.0, 30.1552925109863, 0.200000002980232, 0.0, 1467.0, 0.928317785263062, 1783.03979492188, 5.0, 0.0, 44.8664131164551, 5.73597860336304, 2045.14758300781, 1.0, 0.0, 57.9655265808105, 0.0, 0.0, 0.0, 0.0, 6.37799167633057, 2795.91064453125, 56.3021469116211, 5.70043992996216, 49.0, 3322.1025390625, 0.0, 2266.07006835938, 1.33748066425323, 3302.05419921875, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 3.0, 0.0, 19.4827632904053, 0.0, 0.0, 0.400000005960464, 12.1619396209717, 2.0, 0.0, 0.0, 2.53575944900513, 0.0, 11.456976890564, 2.0, 0.16666667163372, 5.49202013015747, 0.0, 9.71830940246582, 1.18995404243469, 14.7560434341431, 0.0, 0.0, 6.34292984008789, 0.0, 0.0, 0.870891332626343, 0.235702261328697, 1.53874456882477, 0.0, 3.0, -0.450433939695358, 1.0, 4.81333684921265, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H5NS%2Fc1-2-3-5-4-6%2Fh2H%2C1%2C3H2, 0.0, 0.0 0.0, 0.0, 0.0275007374584675, 1.0, 0.0, 0.0, 0.0 0.0, 0.0, -0.00359480432234704, 0.0, 0.0, 0.0 0.0, -0.000386507163057104, 0.0, 0.0, 0.666666686534882, 1.0, 0.0, 0.0, 18.0, 38.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0 0.0, 0.0, 5.0, 0.0, 0.0, 0.0, 0.0, 5.33333349227905, 0.0, 0.0, 0.0, 0.0, 0.0, 4.16352224349976, 0.0, 1.96870362758636, 0.0, , 0.0, 0.0, 0.0, 0.903224468231201, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.414035707712173, 0.0, 0.0, 0.0, 0.176353126764297, 0.0, 0.0, 0.0, 0.079056940972805, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 44.4500007629395, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.4877414703369, 0.0, 0.0, 7.00215578079224, 0.0, 0.0, 35.0, 0.0, 248.743774414062, 0.0, 0.0, 6.27964925765991, 1.5, 215.699356079102, 0.0, 0.0, 4.83597040176392, 0.0, 0.0, 0.0, 0.0, 0.0, 169.27311706543, 3.66978526115417, 3.58496260643005, 3.0, 122.012886047363, 0.0, 70.0199966430664, 0.0, 74.9450073242188, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 4.8284273147583, 0.0, 0.0, 0.400000005960464, 2.91421365737915, 1.0, 0.0, 0.0, 0.0, 1.0, 1.70710682868958, 0.0, 0.0, 1.65096366405487, 0.0, 0.95710676908493, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.10820547491312, 0.0, 0.0, 0.0, 0.0, -0.0777033120393753, 0.0, 0.25, 0.0, 0.0, 0.0
InChI%3D1S%2FC11H14O2%2Fc1-4-5-9-6-7-10%2812-2%2911%288-9%2913-3%2Fh4%2C6-8H%2C1%2C5H2%2C2-3H3, 0.0, 1.42534029483795 1.42534029483795, 1.31221628189087, -0.0614895410835743, 1.0, 2.0, 0.0, 2.22720551490784 2.22720551490784, 0.770279943943024, 0.163960605859756, 0.0, 0.0, 2.5791871547699 2.5791871547699, -0.122965298593044, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 58.0, 151.0, 0.492496848106384 0.492496848106384, 0.0, 0.0, 0.0, 0.0, 0.624802708625793 0.624802708625793, 0.0, 0.0, 0.0, 11.0769233703613, 0.0, 0.0, 0.60365754365921 0.60365754365921, 0.0, 5.671875, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0680413842201233, 0.0, 0.0, 0.0, 0.144337564706802, 8.04011154174805, 0.0240562614053488, 4.13282871246338, 0.0366521999239922, , 1.65096366405487, 0.235702261328697, 0.0, 2.68213486671448, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.82799136638641, 0.0, 0.0138888889923692, 0.0, 1.1742707490921, 2.0, 0.0, 0.0, 0.713634252548218, 0.0, 0.0, 0.0, 1.0, 0.349420428276062, 0.0, 18.4599990844727, 0.0, 0.167217239737511, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.5489377975464, 1.0, 0.0, 14.3283681869507, 0.333333343267441, 0.0, 256.0, 0.458566069602966, 673.650634765625, 0.0, 0.0, 17.3283672332764, 3.90690088272095, 735.050476074219, 0.0, 0.0, 19.1028366088867, 0.0, 0.0, 0.0, 0.0, 2.62798619270325, 924.038940429688, 15.6604595184326, 4.70043992996216, 17.0, 894.884338378906, 0.0, 573.02001953125, 0.0, 641.37451171875, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 6.0, 0.0, 9.68179798126221, 0.0, 0.0, 0.5, 6.31239175796509, 1.0, 0.0, 0.0, 0.537457466125488, 0.0, 4.80440902709961, 0.0, 0.0, 4.55655384063721, 0.0, 3.99413347244263, 0.0833333358168602, 7.67819404602051, 0.0, 0.0, 3.13182878494263, 3.0, 0.0, 0.351178646087646, 0.0, 0.0, 0.0, 0.0, -0.19277548789978, 0.0, 2.22964811325073, 0.0, 0.0, 0.0
InChI%3D1S%2FC11H23NO2%2Fc12-10-8-6-4-2-1-3-5-7-9-11%2813%2914%2Fh1-10%2C12H2%2C%28H%2C13%2C14%29, 0.0, 0.288675129413605 0.288675129413605, 0.754846334457397, -0.000899653183296323, 10.0, 0.0, 0.0, 0.20412415266037 0.20412415266037, 0.471256941556931, -0.00447875773534179, 0.0, 0.0, 0.144337564706802 0.144337564706802, -0.000235530198551714, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 52.0, 239.0, 0.0456435456871986 0.0456435456871986, 0.0, 0.5, 0.0, 0.0, 0.0322748608887196 0.0322748608887196, 0.0, 0.0, 0.0, 14.0, 0.0, 0.0, 0.0228217728435993 0.0228217728435993, 0.0, 11.0769233703613, 0.0, 0.0, 0.0, 0.0, 13.0909090042114, 0.0, 0.0, 1.0, 0.0, 0.0, 9.00387954711914, 0.0, 5.68953275680542, 0.0, , 0.0, 0.0645497217774391, 1.0, 3.76084089279175, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.34476637840271, 0.0, 0.0, 0.0, 1.48122346401215, 0.0, 0.0, 0.0, 0.92238312959671, 0.0, 0.0, 0.0, 0.0, 0.563835024833679, 0.0, 63.3199996948242, 0.0, 0.336191564798355, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 15.9089260101318, 0.0, 0.0, 13.8303689956665, 0.0, 0.0, 444.0, 0.0, 602.90673828125, 1.0, 0.0, 14.6048383712769, 0.0, 586.766906738281, 0.0, 0.0, 11.8303689956665, 0.0, 0.0, 0.0, 0.0, 0.0, 566.572570800781, 10.8303689956665, 4.80735492706299, 11.0, 503.162384033203, 0.0, 1114.03002929688, 0.0, 450.078277587891, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.0, 0.0, 10.6484184265137, 0.0, 0.0, 0.5, 6.77005577087402, 0.0, 0.0, 0.0, 0.40824830532074, 0.0, 5.01094913482666, 0.0, 0.0, 15.159595489502, 0.0, 2.88502788543701, 0.0, 2.20812511444092, 0.0, 0.0, 1.86324608325958, 0.0, 0.0, 0.221651524305344, 0.0, 0.0, 0.0, 1.0, -0.105205483734608, 0.0, 1.19251394271851, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H6N2O2%2Fc1-7-2-3-8%2810-5-12%294-9%287%2911-6-13%2Fh2-4H%2C1H3, 0.0, 1.40512025356293 1.40512025356293, 1.27491688728333, 0.175120815634727, 0.0, 0.0, 0.0, 1.96453738212585 1.96453738212585, 0.724725663661957, -0.0552216880023479, 0.0, 0.0, 2.6224639415741 2.6224639415741, 0.0804592669010162, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 58.0, 153.0, 0.515152394771576 0.515152394771576, 0.0, 0.125, 0.0, 0.0, 0.520402550697327 0.520402550697327, 0.0, 0.0, 0.0, 11.0769233703613, 0.0, 0.0, 0.54330849647522 0.54330849647522, 0.0, 5.671875, 0.0, 0.0, 0.0, 0.0, 3.32409977912903, 0.0680413842201233, 0.0, 0.0, 0.0, 0.164266422390938, 6.94297456741333, 0.0240562614053488, 3.54070925712585, 0.0455728359520435, , 1.65096366405487, 0.283422887325287, 0.0, 2.37697052955627, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.53355753421783, 0.0, 0.0372678004205227, 0.0, 0.889658272266388, 1.0, 0.0, 0.0, 0.55954909324646, 0.0, 0.0, 0.0, 0.0, 0.221371307969093, 0.0, 58.8600006103516, 0.0, 0.0764990225434303, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 15.2689142227173, 1.0, 0.0, 14.3289251327515, 0.0, 0.0, 260.0, 0.0, 584.878723144531, 0.0, 0.0, 17.7716732025146, 1.48550200462341, 649.048583984375, 0.0, 0.0, 17.4951095581055, 0.0, 0.0, 0.0, 0.0, 1.5, 825.574584960938, 15.0207262039185, 4.70043992996216, 16.0, 753.52392578125, 0.0, 205.039993286133, 0.0, 490.076019287109, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 5.0, 0.0, 9.68179798126221, 0.0, 0.0, 0.5, 6.27438688278198, 0.0, 0.0, 0.0, 0.606493055820465, 2.0, 4.9937915802002, 0.0, 0.0, 3.24283146858215, 0.0, 3.8274667263031, 0.117851130664349, 7.33145952224731, 0.0, 0.0, 2.9562041759491, 3.0, 0.0, 0.492053061723709, 0.0, 0.0, 0.0, 2.0, -0.362035304307938, 0.0, 2.2731237411499, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H4O2.Na%2Fc4-2-1-3-5%3B%2Fh1-4H%3B%2Fq%3B%2B1%2Fp-1%2Fb2-1-%3B, 0.0, 0.0 0.0, 0.0, 0.00410896027460694, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, -0.13535837829113, 0.0, 0.0, 0.0 0.0, 0.0808205902576447, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 14.0, -589934592.0, 0.0 0.0, 0.0, 0.25, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 9.375, 0.0, 0.0, 0.0 0.0, 0.0, 8.88888931274414, 0.0, 0.0, 0.0, 0.0, 12.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.14029908180237, 0.0, 0.902368903160095, 0.0, , 0.0, 0.0, 0.0, 0.328532844781876, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0785674229264259, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 40.1300010681152, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.2127227783203, 0.0, 0.0, 4.66418409347534, 0.0, 0.0, 5000000000.0, 0.0, 98.5496978759766, 0.0, 0.0, 3.66418385505676, 0.0, 84.7153930664062, 0.0, 0.0, 2.66418385505676, 0.0, 0.0, 0.0, 0.0, 0.0, 59.7681121826172, 1.77446901798248, 3.58496260643005, 2.0, 32.3547439575195, 0.0, 19.0300006866455, 0.0, 11.3379850387573, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 4.12132024765015, 0.0, 0.0, 0.999000012874603, 2.41421365737915, 3.0, 0.0, 0.0, 0.0, 0.0, 1.35355341434479, 0.0, 0.0, 2.38110160827637, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.353553384542465, 0.0, 0.0, 0.283537477254868, 0.0, 0.0, 0.0, 1.0, -0.0913399159908295, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FCN4O8%2Fc6-2%287%291%283%288%299%2C4%2810%2911%295%2812%2913, 0.0, 4.30940103530884 4.30940103530884, 0.0, -0.412699550390244, 0.0, 0.0, 0.0, 9.06324672698975 9.06324672698975, 0.0, -0.338140219449997, 0.0, 0.0, 5.61880207061768 5.61880207061768, 0.375843197107315, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 60.0, 76.0, 0.638178050518036 0.638178050518036, 0.0, 7.72862672805786, 0.0, 0.0, 0.586389899253845 0.586389899253845, 0.0, 0.0, 0.0, 13.0, 0.0, 0.0, 0.162726014852524 0.162726014852524, 3.0, 4.48148155212402, 0.0, 0.0, 0.0, 0.0, 2.08333325386047, 0.0, 0.0, 0.0, 0.0, 0.0, 5.55484056472778, 0.0, 2.35502076148987, 0.0, , 0.0, 0.327956646680832, 0.0, 1.62843918800354, 0.0, 0.0, 0.0, 0.0199999995529652, 0.0, 0.0, 0.979795873165131, 0.0, 0.0894427224993706, 0.0, 0.400000005960464, 0.0, 0.0133333336561918, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 183.279998779297, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.6357040405273, 0.0, 0.0, 17.0924682617188, 0.0, 0.0, 216.0, 0.0, 250.372817993164, 0.0, 0.0, 25.9145393371582, 0.0, 288.967956542969, 1.0, 0.0, 37.2831840515137, 0.0, 0.0, 0.0, 0.0, 0.0, 400.065063476562, 42.5872573852539, 4.70043992996216, 24.0, 424.476135253906, 0.0, 12.1199998855591, 0.0, 272.484741210938, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.809401512146, 0.0, 0.0, 0.5, 5.77350282669067, 0.0, 0.0, 0.0, 1.53960072994232, 0.0, 5.61880207061768, 0.0, 0.0555555559694767, 0.0, 0.0, 4.0, 1.15470051765442, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.479338586330414, 0.222222223877907, 0.0, 0.0, 8.0, 0.135327264666557, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H5N3O3%2Fc8-3-1-2-7%286-10%294%289%295-3%2Fh1-2H2%2C%28H%2C5%2C8%2C9%29, , 1.40924251079559 1.40924251079559, 0.830066502094269, 0.220686107873917, 2.0, 0.0, 0.0, 1.94750583171844 1.94750583171844, 0.144337564706802, -0.232845887541771, , 0.0, 2.06838130950928 2.06838130950928, 0.0812979564070702, , 0.0, 1.0, 0.0, 0.0, 0.0, 46.0, 84.0, 0.292250484228134 0.292250484228134, 0.0, 0.655185341835022, 0.0, 0.0, 0.281288683414459 0.281288683414459, 0.0, 0.0, 0.0, 8.10000038146973, 0.0, 0.0, 0.250691950321198 0.250691950321198, 0.0, 3.40828394889832, 0.0, 0.0, 0.0, 0.0, 1.99111115932465, 0.0680413842201233, 0.0, 1.0, 0.0, 0.184195280075073, 5.01956462860107, 0.025000000372529, 2.65090656280518, 0.032566886395216, , 0.5, 0.182246178388596, 0.0, 1.76539707183838, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.09128057956696, 0.0, 0.0129099441692233, , 0.601315200328827, 0.0, 0.0, 0.0, 0.336528807878494, , , , 0.0, 0.104134857654572, 0.0, 82.3300018310547, 0.0, 0.0136930635198951, , 0.0, 0.0, 0.0, , 0.0, 13.4033708572388, 0.0, 0.0, 12.2423791885376, 0.0, , 116.0, 0.0, 350.185882568359, 2.0, 0.0, 16.5706844329834, 0.0, 385.669128417969, 0.0, 0.0, 15.40456199646, 0.0, 0.0, 0.0, , 0.0, 484.277954101562, 10.4862394332886, 4.32192802429199, 12.0, 388.949584960938, 0.0, 135.059997558594, 0.0, 171.336288452148, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 1.0, 0.0, , , 1.0, 0.0, , , 0.333333343267441, 0.0, 0.0, 1.41421353816986, 1.0, 0.0, 7.56047773361206, , , 0.5, 4.73638200759888, 0.0, 0.0, 0.0, 0.6910440325737, 2.0, 4.06383609771729, 0.0, 0.0, 1.0, , 3.13352584838867, 0.117851130664349, 2.14913988113403, 0.0, 0.0, 2.33458280563354, 0.0, 0.0, 0.327274858951569, 0.0, 0.0, 0.0, 2.0, -0.223497062921524, 1.0, 1.39430165290833, 0.0, 0.0, 0.0
InChI%3D1S%2FC20H22O3%2Fc1-20%282%2C19%2821%2922%2923-16-12-10-15%2811-13-16%2918-9-5-7-14-6-3-4-8-17%2814%2918%2Fh3-4%2C6%2C8%2C10-13%2C18H%2C5%2C7%2C9H2%2C1-2H3%2C%28H%2C21%2C22%29, 0.0, 4.8323769569397 4.8323769569397, 3.42893862724304, -0.146365821361542, 3.0, 1.0, 0.0, 5.68255567550659 5.68255567550659, 2.62289619445801, 0.165558815002441, 0.0, 0.0, 7.62213659286499 7.62213659286499, -0.0218571331351995, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 122.0, 463.0, 1.84704899787903 1.84704899787903, 0.0, 0.5, 0.0, 0.0, 2.30468845367432 2.30468845367432, 0.0, 0.666666686534882, 0.0, 17.8111991882324, 0.0, 0.0, 2.7332706451416 2.7332706451416, 0.0, 7.48611116409302, 0.0, 0.0, 0.0, 0.0, 4.15879011154175, 0.234708055853844, 0.0, 1.0, 0.0, 0.349584937095642, 13.5811824798584, 0.106586590409279, 8.07384872436523, 0.147498190402985, , 4.67604637145996, 1.1556156873703, 0.0, 6.63018846511841, 0.0, 1.55034387111664, 0.0, 0.102062076330185, 0.0, 0.0, 4.53993988037109, 0.0, 0.180415511131287, 0.0, 3.20663666725159, 2.0, 0.0186339002102613, 0.0, 2.37744426727295, 0.0, 0.0, 0.0, 0.0, 1.32212722301483, 0.0, 46.5299987792969, 0.0, 0.8866206407547, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 25.3234062194824, 5.0, 0.0, 26.3283672332764, 0.0, 0.0, 1264.0, 0.5, 1568.2294921875, 1.0, 0.0, 39.0991134643555, 3.04000782966614, 1840.39624023438, 1.0, 0.0, 40.5414886474609, 0.0, 0.0, 0.0, 0.0, 2.34095144271851, 2586.29077148438, 31.9962768554688, 5.52356195449829, 37.0, 2593.58520507812, 0.0, 1703.03002929688, 2.0, 2162.2861328125, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0, 0.0, 16.4493827819824, 0.0, 0.0, 0.5, 10.9711637496948, 0.0, 0.0, 0.0, 2.14877486228943, 0.0, 10.4313611984253, 1.0, 0.20412415266037, 16.3161487579346, 0.0, 8.50482082366943, 0.888561725616455, 20.8120422363281, 0.0, 0.0, 6.37375259399414, 8.0, 0.0, 0.366460055112839, 0.20412415266037, 1.79058766365051, 0.0, 1.0, -0.156364575028419, 0.0, 5.43456125259399, 0.0, 0.0, 0.0
InChI%3D1S%2FC19H20O4%2Fc1-2-3-13-22-18%2820%2916-11-7-8-12-17%2816%2919%2821%2923-14-15-9-5-4-6-10-15%2Fh4-12H%2C2-3%2C13-14H2%2C1H3, 0.0, 2.37849545478821 2.37849545478821, 2.55774283409119, 0.175141334533691, 4.0, 2.0, 0.0, 3.67015910148621 3.67015910148621, 1.6691118478775, -0.0776350423693657, 0.0, 0.0, 5.07293701171875 5.07293701171875, -0.296077460050583, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 108.0, 492.0, 0.689586639404297 0.689586639404297, 0.0, 0.200000002980232, 0.0, 0.0, 0.850783288478851 0.850783288478851, 0.0, 1.26491105556488, 0.0, 19.3263893127441, 0.0, 0.0, 0.878518044948578 0.878518044948578, 0.0, 10.7799997329712, 0.0, 0.0, 0.0, 0.0, 6.42804956436157, 0.185395404696465, 0.0, 0.0, 0.0, 0.168393835425377, 13.1575727462769, 0.0598527938127518, 7.69254112243652, 0.050458237528801, , 4.32963848114014, 0.34552201628685, 0.0, 5.09678745269775, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.31069374084473, 0.0, 0.0448895953595638, 0.0, 2.02693772315979, 1.0, 0.0, 0.0, 1.26641654968262, 0.0, 0.0, 0.0, 0.0, 0.595686554908752, 0.0, 52.5999984741211, 0.0, 0.328884333372116, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 26.0978755950928, 3.0, 0.0, 25.9925518035889, 0.200000002980232, 0.0, 1340.0, 0.0, 1245.00085449219, 2.0, 0.0, 33.5414886474609, 1.88038718700409, 1384.1923828125, 0.0, 0.0, 35.317195892334, 0.0, 0.0, 0.0, 0.0, 0.70085734128952, 1746.57409667969, 34.645565032959, 5.52356195449829, 31.0, 1744.67468261719, 0.0, 1430.0400390625, 0.0, 1535.60217285156, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.0, 0.0, 16.4933528900146, 0.0, 0.0, 0.5, 11.2195453643799, 0.0, 0.0, 0.0, 0.947694182395935, 0.0, 9.14390182495117, 0.0, 0.0, 16.0009994506836, 0.0, 7.35468292236328, 0.248005643486977, 16.7202339172363, 0.0, 0.0, 5.72011423110962, 9.0, 0.0, 0.536359548568726, 0.0, 0.0, 0.0, 2.0, -0.325208693742752, 0.0, 4.47736597061157, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H9NO2S%2Fc1-6-4-2-3-5-7%286%2911%288%2C9%2910%2Fh2-5H%2C1H3%2C%28H2%2C8%2C9%2C10%29, 0.0, 2.20162796974182 2.20162796974182, 0.643283069133759, 0.000767334480769932, 0.0, 0.0, 0.0, 3.56146049499512 3.56146049499512, 0.291666656732559, -0.0134731875732541, 0.0, 0.0, 3.7814040184021 3.7814040184021, -0.00140308390837163, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 54.0, 85.0, 1.03398418426514 1.03398418426514, 0.0, 0.5, 1.0, 0.0, 1.31968402862549 1.31968402862549, 0.0, 0.0, 0.0, 9.09090900421143, 0.0, 0.0, 1.09015297889709 1.09015297889709, 0.0, 3.1640625, 0.0, 0.0, 0.0, 0.0, 2.21453285217285, 0.0833333358168602, 0.0, 0.0, 0.0, 0.125, 6.57035779953003, 0.0277777779847383, 3.96952366828918, 0.0518641658127308, , 1.0, 0.629570722579956, 1.0, 3.17026138305664, 0.0, 0.0, 0.0, 0.0417188480496407, 0.0, 0.0, 2.00207042694092, 0.0, 0.15211795270443, 0.0, 1.31685650348663, 1.0, 0.0120431939139962, 0.0, 0.57724392414093, 0.0, 0.0, 0.0, 0.0, 0.229023486375809, 0.0, 68.5400009155273, 0.0, 0.0912318602204323, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.036678314209, 1.0, 0.0, 19.8960475921631, 0.0, 0.0, 144.0, 0.0, 761.375793457031, 0.0, 0.0, 22.0513401031494, 1.3731781244278, 843.058532714844, 0.0, 0.0, 20.670093536377, 0.0, 0.0, 0.0, 0.0, 1.41421353816986, 1152.40539550781, 15.1608924865723, 4.45943164825439, 14.0, 942.433166503906, 0.0, 290.040008544922, 0.0, 599.794250488281, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 8.48312759399414, 0.0, 0.0, 0.400000005960464, 5.01585531234741, 0.0, 0.0, 0.0, 1.71957874298096, 0.0, 5.23425960540771, 0.0, 0.288675129413605, 3.96540641784668, 0.0, 3.22385358810425, 0.436886727809906, 4.29827976226807, 0.0, 0.0, 2.60283207893372, 4.0, 0.0, 0.167352572083473, 0.117851130664349, 0.0, 0.0, 2.0, -0.0695386305451393, 0.0, 1.44946920871735, 0.0, 0.0, 0.0
InChI%3D1S%2FC34H27N9O7S2.2Na%2Fc35-22-10-15-27%2826%2836%2918-22%2941-38-24-11-6-19%287-12-24%2920-8-13-25%2814-9-20%2940-42-32-28%2851%2845%2C46%2947%2916-21-17-29%2852%2848%2C49%2950%2933%2834%2844%2930%2821%2931%2832%2937%2943-39-23-4-2-1-3-5-23%3B%3B%2Fh1-18%2C44H%2C35-37H2%2C%28H%2C45%2C46%2C47%29%28H%2C48%2C49%2C50%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb41-38%2B%2C42-40%2B%2C43-39%2B%3B%3B, 0.0, 9.75463104248047 9.75463104248047, 9.19588184356689, -0.191946431994438, 0.0, 0.0, 0.0, 15.1041641235352 15.1041641235352, 7.29618787765503, -0.317208558320999, 0.0, 0.0, 22.2847156524658 22.2847156524658, -0.0348988808691502, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 282.0, -1964117120.0, 2.84096717834473 2.84096717834473, 0.0, 4.25197792053223, 2.0, 0.0, 3.46710896492004 3.46710896492004, 0.0, 0.0, 0.0, 46.6869812011719, 0.0, 0.0, 3.99312329292297 3.99312329292297, 0.0, 20.3106575012207, 0.0, 0.0, 0.0, 0.0, 11.8230457305908, 0.427491962909698, 0.0, 1.0, 0.0, 0.787201344966888, 26.6220645904541, 0.147771224379539, 15.9246969223022, 0.202222183346748, , 18.88157081604, 1.58196091651917, 3.0, 11.9328565597534, 0.0, 0.0, 0.0, 0.0323152802884579, 0.0, 0.0, 8.09780979156494, 2.0, 0.247698575258255, 0.0, 5.4022068977356, 0.0, 0.00932861771434546, 0.0, 3.68489670753479, 0.0, 0.0, 0.0, 0.0, 2.09716773033142, 0.0, 303.609985351562, 0.275444269180298, 1.30307877063751, 0.0, 1.95848047733307, 0.0, 0.0, 0.0, 0.0, 80.244255065918, 4.0, 0.0, 78.585693359375, 0.0, 0.0, 105000009728.0, 0.0, 4031.45654296875, 0.0, 0.0, 101.971138000488, 0.0, 4790.453125, 0.0, 0.0, 112.312637329102, 0.0, 0.0, 0.0, 0.0, 0.0, 6980.171875, 117.219635009766, 6.75488758087158, 90.0, 7516.2314453125, 0.0, 3862.19995117188, 0.0, 7072.2041015625, 14.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 2.27475023269653, 0.0, 0.0, 0.0, 30.0, 0.0, 37.2081680297852, 0.0, 0.0, 0.999000012874603, 24.6847095489502, 0.0, 0.0, 0.0, 5.53934621810913, 6.0, 24.2530994415283, 0.0, 0.577350258827209, 19.4880809783936, 0.0, 19.0266170501709, 1.34550678730011, 39.8838005065918, 0.0, 0.0, 15.8087511062622, 18.0, 0.0, 1.04947769641876, 0.235702261328697, 0.0, 0.0, 4.0, -0.199308544397354, 0.0, 13.1508207321167, 0.0, 0.0, 0.0
InChI%3D1S%2FC10H10N4O3S%2Fc1-6%282%2912-13-10-11-5-8%2818-10%297-3-4-9%2817-7%2914%2815%2916%2Fh3-5H%2C1-2H3%2C%28H%2C11%2C13%29, 0.0, 2.61357235908508 2.61357235908508, 2.37397837638855, -0.0839548110961914, 0.0, 0.0, 0.0, 3.18411183357239 3.18411183357239, 1.44624304771423, 0.159230336546898, 0.0, 0.0, 3.75722193717957 3.75722193717957, -0.0846327990293503, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 1.0, 90.0, 313.0, 0.968457579612732 0.968457579612732, 0.0, 0.5, 0.0, 0.0, 1.083256483078 1.083256483078, 0.0, 0.666666686534882, 0.0, 14.4099721908569, 0.0, 0.0, 1.06706070899963 1.06706070899963, 0.0, 6.43787002563477, 0.235702261328697, 0.0, 0.0, 0.0, 3.99583768844604, 0.287457466125488, 0.113077633082867, 0.0, 0.0, 0.474854648113251, 10.5231809616089, 0.111281804740429, 5.85012626647949, 0.127085223793983, , 3.08133912086487, 0.686212122440338, 0.0, 4.62612724304199, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.81200075149536, 0.0, 0.0504507720470428, 0.0, 1.87828266620636, 2.0, 0.0, 0.0, 1.11272275447845, 0.0, 0.0, 0.0, 0.0, 0.657169282436371, 0.0, 124.480003356934, 0.0, 0.35913023352623, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 27.89111328125, 0.0, 0.0, 25.3016014099121, 0.0, 0.0, 685.0, 0.5, 1085.41491699219, 1.0, 0.0, 37.911994934082, 0.793700516223907, 1246.47680664062, 0.0, 0.0, 31.4081478118896, 0.0, 0.0, 0.0, 0.0, 2.31254196166992, 1668.69006347656, 28.2203922271729, 5.16992521286011, 21.0, 1294.31921386719, 0.0, 535.080017089844, 0.0, 1214.71801757812, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 1.65096366405487, 1.0, 0.0, 0.431527197360992, 4.0, 0.0, 13.1209554672241, 0.0, 0.0, 0.454545468091965, 8.55855083465576, 0.0, 1.0, 0.0, 1.44570577144623, 1.0, 7.98758363723755, 0.0, 0.0, 1.31037068367004, 0.0, 5.85727643966675, 0.25, 5.67444372177124, 1.0, 0.0, 4.45938396453857, 3.0, 0.0, 0.411450833082199, 0.0, 0.0, 1.0, 2.0, -0.188430309295654, 0.0, 3.16453075408936, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H9NO.ClH%2Fc1-9-7-5-3-2-4-6%287%298%3B%2Fh2-5H%2C8H2%2C1H3%3B1H, 0.0, 1.06903564929962 1.06903564929962, 0.469913214445114, -0.0425814725458622, 0.0, 1.0, 0.0, 1.40829122066498 1.40829122066498, 0.176776692271233, 0.060430284589529, 0.0, 0.0, 1.30473780632019 1.30473780632019, -0.0194117818027735, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 40.0, 820130816.0, 0.291233360767365 0.291233360767365, 0.0, 0.0, 0.0, 0.0, 0.317625373601913 0.317625373601913, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.233439296483994 0.233439296483994, 0.0, 4.76033067703247, 0.0, 0.0, 0.0, 0.0, 2.65088748931885, 0.0833333358168602, 0.0, 0.0, 0.0, 0.142258897423744, 6.51974439620972, 0.0277777779847383, 2.72839784622192, 0.027377737686038, , 1.0, 0.142258897423744, 1.0, 1.74195027351379, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.13892531394958, 0.0, 0.0196418557316065, 0.0, 0.666426181793213, 1.0, 0.0, 0.0, 0.342146188020706, 0.0, 0.0, 0.0, 0.0, 0.0970777943730354, 0.0, 35.25, 0.0, 0.0292277447879314, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.8472099304199, 0.0, 0.0, 9.8303689956665, 0.0, 0.0, 9000000512.0, 0.0, 413.186828613281, 0.0, 0.0, 11.9965543746948, 1.01626551151276, 434.580871582031, 0.0, 0.0, 11.5500202178955, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 524.978576660156, 5.66446256637573, 4.32192802429199, 10.0, 423.533020019531, 0.0, 271.029998779297, 0.0, 171.696548461914, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 6.69023466110229, 0.0, 0.0, 0.999000012874603, 4.3425350189209, 0.0, 0.0, 0.0, 0.402368932962418, 0.0, 3.43006896972656, 0.0, 0.0, 3.96540641784668, 0.0, 2.81349611282349, 0.117851130664349, 4.29827976226807, 0.0, 0.0, 1.99955224990845, 4.0, 0.0, 0.204444706439972, 0.0, 0.0, 0.0, 0.0, -0.100946426391602, 0.0, 1.20977282524109, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H8N4O2%2Fc9-5-7-2-1-3-8%284-7%296-10%2Fh1-4H2, , 0.932625710964203 0.932625710964203, 0.745812296867371, 0.107379138469696, 4.0, 0.0, 0.0, 1.22850155830383 1.22850155830383, 0.353553384542465, -0.100789979100227, , 0.0, 1.35230541229248 1.35230541229248, 0.0290541704744101, , 0.0, 1.0, 0.0, 0.0, 0.0, 44.0, 90.0, 0.312513738870621 0.312513738870621, 0.0, 0.16666667163372, 0.0, 0.0, 0.360740959644318 0.360740959644318, 0.0, 0.0, 0.0, 8.10000038146973, 0.0, 0.0, 0.32061642408371 0.32061642408371, 0.5, 4.0, 0.0, 0.0, 0.0, 0.0, 2.28571438789368, 0.0833333358168602, 0.0, 0.0, 0.0, 0.117851130664349, 5.43377828598022, 0.0500000007450581, 3.03005933761597, 0.0447213612496853, , 0.0, 0.200000002980232, 0.0, 2.11838674545288, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.38988673686981, 0.0, 0.0, 0.0, 0.898887276649475, 0.0, 0.0, 0.0, 0.543834984302521, 0.0, 0.0, , 0.0, 0.159938678145409, 0.0, 65.3399963378906, 0.0, 0.0480618439614773, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.9888906478882, 0.0, 0.0, 12.4916486740112, 0.0, , 121.0, 0.0, 367.281616210938, 0.0, 0.0, 14.4640312194824, 0.0, 400.615081787109, 0.0, 0.0, 13.7130851745605, 0.0, 0.0, 0.0, 0.0, 0.0, 482.839569091797, 9.46347427368164, 4.32192802429199, 11.0, 379.424194335938, 0.0, 234.059997558594, 0.0, 185.4072265625, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, , 0.0, 0.25, 0.0, 0.0, 2.30940103530884, 1.0, 0.0, 7.39734125137329, 0.0, , 0.5, 4.86370325088501, 0.0, 0.0, 0.0, 0.40824830532074, 2.0, 3.71515321731567, 0.0, 0.0, 3.53277564048767, 0.0, 3.04611206054688, 0.0, 0.0, 0.0, 0.0, 2.14388990402222, 0.0, 0.0, 0.127787634730339, 0.0, 0.0, 0.0, 2.0, -0.0815860629081726, 2.0, 1.59341299533844, 0.0, 0.0, 0.0
InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296, 0.0, 1.33333337306976 1.33333337306976, 0.0, -0.0672608613967896, 0.0, 0.0, 4.0, 0.0 0.0, 0.0, 0.0448405742645264, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 22.0, 24.0, 1.4578629732132 1.4578629732132, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.22222232818604, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.53557348251343, 0.0, 2.51778674125671, 0.0, , 1.0, 0.642857134342194, 0.0, 2.41960763931274, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.28571426868439, 0.0, 0.413265317678452, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 36.8510131835938, 0.0, 0.0, 12.8069496154785, 0.0, 0.0, 29.0, 0.0, 374.542022705078, 2.0, 0.0, 29.2324562072754, 0.0, 360.666381835938, 0.0, 0.0, 34.8510131835938, 0.0, 0.0, 0.0, 0.0, 0.0, 356.131713867188, 0.0, 3.58496260643005, 4.0, 182.736328125, 0.0, 5.03999996185303, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.154700756073, 0.0, 0.0, 0.333333343267441, 2.64273452758789, 0.0, 0.0, 0.0, 0.666666686534882, 0.0, 2.48803377151489, 0.0, 0.0, 0.0, 0.0, 1.33333337306976, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.134521722793579, 0.0, 0.0, 0.0, 0.0, -0.0448405742645264, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC16H12N2O4%2Fc1-21-15-7-11%283-5-13%2815%2917-9-19%2912-4-6-14%2818-10-20%2916%288-12%2922-2%2Fh3-8H%2C1-2H3, 0.0, 2.83955383300781 2.83955383300781, 3.27899479866028, 0.0822653770446777, 0.0, 2.0, 0.0, 4.52105855941772 4.52105855941772, 2.2660276889801, 0.227316841483116, 0.0, 0.0, 6.01738595962524 6.01738595962524, -0.359593778848648, 0.0, 0.0, 0.857142865657806, 0.0, 0.0, 0.0, 106.0, 436.0, 0.935856699943542 0.935856699943542, 0.0, 0.0769230797886848, 0.0, 0.0, 1.18002331256866 1.18002331256866, 0.0, 0.565685451030731, 0.0, 18.3402652740479, 0.0, 0.0, 1.25627017021179 1.25627017021179, 0.0, 9.33333301544189, 0.0, 0.0, 0.0, 0.0, 4.75, 0.136082768440247, 0.0, 0.0, 0.0, 0.271017521619797, 11.9915218353271, 0.0481125228106976, 6.25348806381226, 0.0652146935462952, , 5.26933193206787, 0.413617253303528, 0.0, 4.17943716049194, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.02496814727783, 0.0, 0.0582068078219891, 0.0, 1.99745404720306, 2.0, 0.0, 0.0, 1.32508969306946, 0.0, 0.0, 0.0, 0.0, 0.720633685588837, 0.0, 77.3199996948242, 0.0, 0.410250902175903, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 25.8178520202637, 2.0, 0.0, 25.6572933197021, 0.142857149243355, 0.0, 1119.0, 0.111111111938953, 1240.69995117188, 0.0, 0.0, 33.100040435791, 2.94648861885071, 1438.11962890625, 0.0, 0.0, 37.7642250061035, 0.0, 0.0, 0.0, 0.0, 2.7623987197876, 1963.3369140625, 35.9856605529785, 5.45943164825439, 34.0, 2071.6337890625, 0.0, 763.059997558594, 0.0, 1742.03283691406, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.111111111938953, 0.0, 0.0, 0.0, 10.0, 0.0, 15.9493827819824, 0.0, 0.0, 0.461538463830948, 10.72740650177, 0.0, 0.0, 0.0, 1.0, 2.0, 8.58043003082275, 0.0, 0.0, 7.4118709564209, 0.0, 7.39518117904663, 0.25, 16.784143447876, 0.0, 0.0, 6.08401489257812, 6.0, 0.0, 0.848049819469452, 0.0, 0.0, 0.0, 2.0, -0.553697109222412, 0.0, 4.89532232284546, 0.0, 0.0, 0.0
InChI%3D1S%2FC18H22ClNO.ClH%2Fc1-16%2815-21-18-10-6-3-7-11-18%2920%2813-12-19%2914-17-8-4-2-5-9-17%3B%2Fh2-11%2C16H%2C12-15H2%2C1H3%3B1H, 0.0, 1.83813297748566 1.83813297748566, 2.12191319465637, -0.115867719054222, 4.0, 1.0, 1.0, 2.53463435173035 2.53463435173035, 1.40283596515656, 0.205752536654472, 0.0, 0.0, 3.28742074966431 3.28742074966431, -0.0757292881608009, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 98.0, 1050326976.0, 1.02442514896393 1.02442514896393, 0.0, 0.0, 0.0, 0.0, 1.22328150272369 1.22328150272369, 0.0, 0.0, 0.0, 20.0454540252686, 0.0, 0.0, 1.46049082279205 1.46049082279205, 0.0, 11.5226335525513, 0.0, 0.0, 0.0, 0.0, 7.421875, 0.20412415266037, 0.0, 0.0, 0.0, 0.144337564706802, 14.3933801651001, 0.0641500279307365, 7.84575653076172, 0.0357750318944454, , 0.793700516223907, 0.497566133737564, 0.0, 5.4960994720459, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.62700366973877, 0.0, 0.0912870913743973, 0.0, 2.43783378601074, 1.0, 0.0, 0.0, 1.68254327774048, 0.0, 0.0, 0.0, 0.0, 0.754867374897003, 0.0, 12.4700002670288, 0.0, 0.424824833869934, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 38.5599632263184, 1.0, 0.0, 25.1144771575928, 0.0, 0.0, 21000001536.0, 0.0, 1315.9189453125, 0.0, 0.0, 30.6127548217773, 2.95595955848694, 1435.625, 0.0, 0.0, 30.3243846893311, 0.0, 0.0, 0.0, 0.0, 1.19055080413818, 1773.15185546875, 28.3983058929443, 5.45943164825439, 26.0, 1732.89318847656, 0.0, 1563.0400390625, 0.0, 1542.24584960938, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0, 0.0, 14.9160032272339, 0.0, 0.0, 0.999000012874603, 10.2920246124268, 0.0, 0.0, 0.0, 0.810617208480835, 0.0, 8.34716320037842, 1.0, 0.0, 19.996166229248, 0.0, 6.58003330230713, 0.117851130664349, 11.8647785186768, 0.0, 0.0, 5.06657266616821, 10.0, 0.0, 0.309840530157089, 0.0, 0.0, 0.0, 0.0, -0.151681005954742, 1.0, 4.03001117706299, 0.0, 0.0, 0.0
InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H, 0.0, 0.942809045314789 0.942809045314789, 1.14011943340302, 0.0, 0.0, 0.0, 0.0, 1.5 1.5, 0.70412415266037, 0.0, 0.0, 0.0, 1.88561809062958 1.88561809062958, 0.0, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 50.0, 90.0, 0.38490018248558 0.38490018248558, 0.0, 0.0, 0.0, 0.0, 0.5 0.5, 0.0, 0.0, 0.0, 6.69421482086182, 0.0, 0.0, 0.513200223445892 0.513200223445892, 0.0, 2.93877553939819, 0.0, 0.0, 0.0, 0.0, 1.38271605968475, 0.16666667163372, 0.0, 0.0, 0.0, 0.235702261328697, 5.61880207061768, 0.0555555559694767, 3.40470051765442, 0.0641500279307365, , 1.0, 0.16666667163372, 0.0, 2.34715056419373, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.65868926048279, 2.0, 0.0277777779847383, 0.0, 1.13290584087372, 0.0, 0.0, 0.0, 0.756600141525269, 0.0, 0.0, 0.0, 0.0, 0.303561210632324, 0.0, 0.0, 0.0, 0.153877794742584, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 2.0, 0.0, 11.0, 0.0, 0.0, 109.0, 0.0, 575.871765136719, 0.0, 0.0, 14.0, 0.0, 650.17529296875, 0.0, 0.0, 12.0, 0.0, 0.0, 0.0, 0.0, 0.0, 835.183166503906, 6.0, 4.32192802429199, 12.0, 681.418579101562, 0.0, 271.0, 0.0, 303.666290283203, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.0, 0.0, 6.81155490875244, 0.0, 0.0, 0.400000005960464, 4.96632671356201, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 4.08907318115234, 0.0, 0.0, 11.6786317825317, 0.0, 3.46632647514343, 0.0833333358168602, 8.59655952453613, 0.0, 0.0, 2.85758924484253, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.31649661064148, 0.0, 0.0, 0.0
InChI%3D1S%2FC2H4O%2Fc1-2-3-1%2Fh1-2H2, 0.0, 0.0 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0, 6.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.353553384542465, 0.0 0.0, 0.20412415266037, 0.0, 0.0, 1.33333337306976, 0.0, 0.0, 0.0 0.0, 0.0, 0.222222223877907, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.8224618434906, 0.0, 1.07735025882721, 0.0, , 0.0, 0.0, 0.0, 0.61237245798111, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.5299997329712, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.77446913719177, 0.0, 0.0, 3.66418385505676, 0.0, 0.0, 3.0, 0.0, 43.9687728881836, 0.0, 0.0, 0.0, 0.0, 43.8190040588379, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.58496260643005, 0.0, 0.0, 0.0, 43.0099983215332, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.12132024765015, 0.0, 0.0, 0.0, 1.5, 0.0, 0.0, 0.0, 0.0, 0.0, 1.06066012382507, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.181732878088951, 0.0, 0.0, 0.0, 0.0, -0.0908664390444756, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H8O%2Fc1-2-4-3-5-4%2Fh4H%2C2-3H2%2C1H3, 0.0, 0.20412415266037 0.20412415266037, 0.0, -0.00539234094321728, 2.0, 1.0, 0.0, 0.0 0.0, 0.0, -0.000477831112220883, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 22.0, 25.0, 0.117851130664349 0.117851130664349, 0.0, 0.0, 0.0, 0.288675129413605, 0.0 0.0, 0.16666667163372, 0.0, 0.0, 3.20000004768372, 0.20412415266037, 0.0, 0.0 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.117851130664349, 0.639999985694885, 0.0, 0.0, 0.0, 0.0, 0.0, 3.3998122215271, 0.0, 2.04798078536987, 0.0, , 0.0, 0.117851130664349, 0.0, 1.36359012126923, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.6910440325737, 0.0, 0.0, 0.0, 0.235702261328697, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.5299997329712, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.77446889877319, 0.0, 0.0, 5.66418409347534, 0.0, 0.0, 17.0, 0.0, 135.374816894531, 0.0, 0.0, 3.33209204673767, 1.15470051765442, 138.872116088867, 0.0, 0.0, 2.33209204673767, 0.0, 0.0, 0.0, 0.0, 0.5, 82.7509536743164, 0.0, 3.32192802429199, 2.0, 45.460277557373, 0.0, 149.009994506836, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 3.69867062568665, 0.0, 0.0, 0.333333343267441, 2.4318516254425, 0.0, 0.0, 0.0, 0.20412415266037, 0.0, 1.85162401199341, 1.0, 0.0, 0.5, 0.0, 0.985598564147949, 0.0, 2.0, 0.0, 0.0, 0.40824830532074, 0.0, 0.0, 0.174689188599586, 0.0, 0.0, 0.0, 0.0, -0.0814744234085083, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H10N2O2%2Fc1-4%287%293-6%282%295-8%2Fh4%2C7H%2C3H2%2C1-2H3, , 0.6910440325737 0.6910440325737, 0.0, -0.0150112127885222, 1.0, 0.0, 0.0, 0.902368903160095 0.902368903160095, 0.0, 0.0180034972727299, , 0.0, 0.666666686534882 0.666666686534882, -0.0496573746204376, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 30.0, 54.0, 0.221034348011017 0.221034348011017, 0.0, 0.200000002980232, 0.0, 0.0, 0.269662320613861 0.269662320613861, 0.0, 0.0, 0.0, 8.0, 0.0, 0.0, 0.0996624082326889 0.0996624082326889, 0.0, 3.9375, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 1.0, 0.0, 0.0, 5.03434610366821, 0.0, 2.38981294631958, 0.0, , 0.0, 0.323995530605316, 0.0, 1.77089428901672, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.667832374572754, 0.0, 0.0, , 0.41572168469429, 2.0, 0.0, 0.0, 0.048240453004837, 0.0, , , 0.0, 0.0, 0.0, 52.9000015258789, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 10.2689142227173, 0.0, 0.0, 8.57791614532471, 0.0, , 71.0, 0.25, 245.543685913086, 0.0, 0.0, 9.71620559692383, 1.0, 239.752548217773, 0.0, 0.0, 7.55002069473267, 0.0, 0.0, 0.0, , 1.15470051765442, 251.288970947266, 6.38383531570435, 4.0, 6.0, 170.74543762207, 0.0, 233.039993286133, 0.0, 119.114356994629, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 2.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 6.56891393661499, , , 0.400000005960464, 3.66390252113342, 0.0, 0.0, 0.0, 0.696923434734344, 1.0, 3.14296913146973, 1.0, 0.0, 0.0, 0.0, 1.57069683074951, 0.0, 1.0, 0.0, 0.0, 0.971404492855072, 0.0, 0.0, 0.148202463984489, 0.0, 0.0, 0.0, 1.0, -0.0514361634850502, 1.0, 0.333333343267441, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H10N2O2%2Fc1-3-4-8%287-10%295-6%282%299%2Fh3H%2C1%2C4-5H2%2C2H3, , 0.702015101909637 0.702015101909637, 0.235702261328697, -0.0336085706949234, 2.0, 0.0, 0.0, 1.05889523029327 1.05889523029327, 0.0, 0.0163557380437851, , 0.0, 1.03240871429443 1.03240871429443, -0.057588666677475, , 0.0, 1.0, 0.0, 0.0, 0.0, 38.0, 81.0, 0.213109582662582 0.213109582662582, 0.0, 0.200000002980232, 0.0, 0.0, 0.258598446846008 0.258598446846008, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.165027290582657 0.165027290582657, 0.0, 5.76000022888184, 0.0, 0.0, 0.0, 0.0, 5.53086423873901, 0.0, 0.0, 0.0, 0.0, 0.0, 5.90959453582764, 0.0, 2.88920378684998, 0.0, , 0.0, 0.244337573647499, 0.0, 1.91947746276855, 0.0, 0.0, , 0.0, , 0.0, 0.860496282577515, 0.0, 0.0, , 0.532797813415527, 1.0, 0.0, 0.0, 0.200768440961838, , , , 1.0, 0.0642774477601051, 0.0, 49.7400016784668, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 12.2689142227173, 0.0, , 10.5779161453247, 0.0, , 134.0, 0.16666667163372, 362.443756103516, 1.0, 0.0, 11.8823909759521, 2.2941734790802, 361.171722412109, 0.0, 0.0, 10.8823909759521, 0.0, 0.0, 0.0, , 0.894427180290222, 386.356079101562, 10.8821125030518, 4.32192802429199, 9.0, 325.592193603516, 0.0, 271.040008544922, 0.0, 270.526062011719, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 1.0, 0.0, , , 3.0, 0.0, , , 0.0, 2.0, 0.0, 1.0, 0.0, 0.0, 7.98312759399414, , , 0.5, 4.70190715789795, 1.0, 0.0, 0.0, 0.61237245798111, 1.0, 3.69249796867371, 0.0, 0.0, 1.65096366405487, , 2.0790114402771, 0.0, 1.31037068367004, 0.0, 0.0, 1.56355690956116, 0.0, 0.0, 0.199586123228073, 0.0, 0.0, 0.0, 2.0, -0.055811945348978, 1.0, 0.891010880470276, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H15ClO3%2Fc1-4-15-11%2814%2912%282%2C3%2916-10-7-5-9%2813%296-8-10%2Fh5-8H%2C4H2%2C1-3H3, 0.0, 3.12545800209045 3.12545800209045, 1.13288927078247, -0.0859520733356476, 1.0, 2.0, 1.0, 3.51371598243713 3.51371598243713, 0.835861206054688, 0.189076900482178, 0.0, 0.0, 4.50476217269897 4.50476217269897, -0.134705349802971, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 76.0, 236.0, 1.03552746772766 1.03552746772766, 0.0, 0.0, 0.0, 0.0, 1.05181860923767 1.05181860923767, 0.0, 0.816496610641479, 0.0, 14.0625, 0.0, 0.0, 1.09878897666931 1.09878897666931, 0.0, 6.07438039779663, 0.0, 0.0, 0.0, 0.0, 4.42361116409302, 0.0833333358168602, 0.0, 0.0, 0.0, 0.142258897423744, 10.3751459121704, 0.0277777779847383, 5.45059251785278, 0.0428372696042061, , 0.793700516223907, 0.956938564777374, 0.0, 4.22319841384888, 0.0, 1.39247667789459, 0.0, 0.102062076330185, 0.0, 0.0, 2.20563387870789, 0.0, 0.0756873562932014, 0.0, 1.26981544494629, 3.0, 0.0170103460550308, 0.0, 0.832979381084442, 0.0, 0.0, 0.0, 0.0, 0.288463473320007, 0.0, 35.5299987792969, 0.0, 0.19760462641716, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 26.0361614227295, 1.0, 0.0, 19.6121978759766, 0.333333343267441, 0.0, 468.0, 0.814325273036957, 855.650634765625, 1.0, 0.0, 29.334680557251, 3.27931785583496, 941.813537597656, 1.0, 0.0, 28.7770557403564, 0.0, 0.0, 0.0, 0.0, 2.30619406700134, 1228.58508300781, 20.6121978759766, 5.0, 21.0, 1113.06481933594, 0.0, 721.039978027344, 1.88988161087036, 891.785461425781, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 12.1817979812622, 0.0, 0.0, 0.5, 7.45352554321289, 0.0, 0.0, 0.0, 1.74740028381348, 0.0, 7.00832557678223, 0.0, 0.20412415266037, 3.30917620658875, 0.0, 5.00595092773438, 0.492799282073975, 6.24414920806885, 0.0, 0.0, 3.30219078063965, 4.0, 0.0, 0.481968015432358, 0.144337564706802, 1.48550200462341, 0.0, 1.0, -0.246163323521614, 0.0, 2.51620221138, 0.0, 0.0, 0.0
InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2, 0.0, 0.0 0.0, 0.0, -0.00265132472850382, 0.0, 0.0, 1.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 6.0, 6.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.41835045814514, 0.0, 1.06290197372437, 0.0, , 0.0, 0.0, 0.0, 0.462910056114197, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.7127532958984, 0.0, 0.0, 3.95173740386963, 0.0, 0.0, 4.0, 0.0, 81.0053176879883, 0.0, 0.0, 2.95173740386963, 1.0, 56.6020469665527, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.3460159301758, 0.0, 2.58496260643005, 0.0, 0.0, 0.0, 19.0100002288818, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.70710682868958, 0.0, 0.0, 0.5, 1.41421353816986, 1.0, 0.0, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0278811901807785, 0.0, 0.0, 0.0, 0.0, -0.0112892696633935, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H13N3O2%2Fc16-9-7-8%2813-1-2-13%2912%2817%2911%2815-5-6-15%2910%289%2914-3-4-14%2Fh7H%2C1-6H2, 0.0, 2.898118019104 2.898118019104, 2.47045612335205, -0.178406208753586, 3.0, 0.0, 0.0, 5.16036033630371 5.16036033630371, 1.45665061473846, 0.191740557551384, 0.0, 0.0, 8.11326122283936 8.11326122283936, 0.00221714284271002, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 102.0, 217.0, 1.08203196525574 1.08203196525574, 0.0, 0.200000002980232, 0.0, 0.866025388240814, 1.5310800075531 1.5310800075531, 0.670820415019989, 0.0, 0.0, 10.8800001144409, 0.5, 0.0, 1.96647226810455 1.96647226810455, 0.766309440135956, 3.74609780311584, 0.0, 0.0, 0.0, 0.335410207509995, 1.86555624008179, 0.803452134132385, 0.0, 0.0, 0.0, 1.49169266223907, 9.47812843322754, 0.312860637903214, 6.05378532409668, 0.475481152534485, , 6.08364343643188, 0.621719896793365, 0.0, 4.88131093978882, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.81718921661377, 0.0, 0.138439759612083, 0.0, 2.12561440467834, 0.0, 0.0, 0.0, 1.43304240703583, 0.0, 0.0, 0.0, 0.0, 0.812445163726807, 0.0, 43.1699981689453, 0.0, 0.452179193496704, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.6289024353027, 0.0, 0.0, 22.1598510742188, 0.0, 0.0, 461.0, 0.0, 1128.74523925781, 5.0, 0.0, 24.3254795074463, 0.0, 1425.11242675781, 0.0, 0.0, 33.3458671569824, 0.0, 0.0, 0.0, 0.0, 0.0, 1714.06115722656, 36.8404197692871, 5.08746290206909, 29.0, 2004.92431640625, 0.0, 817.049987792969, 0.0, 1800.02136230469, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0, 0.0, 11.568549156189, 0.0, 0.0, 0.428571432828903, 8.25401973724365, 1.0, 0.0, 0.0, 1.28645730018616, 0.0, 7.90294790267944, 0.0, 0.0, 5.13504266738892, 0.0, 5.72209024429321, 0.437474399805069, 11.8415718078613, 0.0, 0.0, 5.15855836868286, 0.0, 0.0, 0.514885008335114, 0.0, 0.0, 0.0, 2.0, -0.217502370476723, 3.0, 4.21790742874146, 0.0, 0.0, 0.0
InChI%3D1S%2FC15H17N3%2Fc1-12-5-4-6-14%2811-12%2917-16-13-7-9-15%2810-8-13%2918%282%293%2Fh4-11H%2C1-3H3%2Fb17-16%2B, 0.0, 2.25076985359192 2.25076985359192, 2.17926859855652, -0.0466450899839401, 0.0, 0.0, 0.0, 2.73353981971741 2.73353981971741, 1.33718800544739, -0.011934326030314, 0.0, 0.0, 3.01615953445435 3.01615953445435, -0.0282156933099031, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 0.0, 88.0, 326.0, 0.905928671360016 0.905928671360016, 0.0, 0.0, 0.0, 0.0, 0.858890056610107 0.858890056610107, 0.0, 0.0, 0.0, 14.4099721908569, 0.0, 0.0, 0.758893072605133 0.758893072605133, 0.0, 6.96320009231567, 0.0, 0.0, 0.0, 0.0, 4.56599283218384, 0.16666667163372, 0.0, 0.0, 0.0, 0.249296993017197, 10.9604425430298, 0.0555555559694767, 5.90798187255859, 0.0650455802679062, , 1.48674774169922, 0.613880276679993, 0.0, 4.44982862472534, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.64870357513428, 0.0, 0.0745356008410454, 0.0, 1.62308263778687, 3.0, 0.0, 0.0, 0.970275282859802, 0.0, 0.0, 0.0, 0.0, 0.481195777654648, 0.0, 27.9599990844727, 0.0, 0.215426847338676, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.079963684082, 1.0, 0.0, 20.1909141540527, 0.0, 0.0, 707.0, 0.481411129236221, 1048.99096679688, 0.0, 0.0, 26.3294811248779, 4.52331876754761, 1162.8515625, 0.0, 0.0, 24.6618518829346, 0.0, 0.0, 0.0, 0.0, 2.57754731178284, 1484.81274414062, 18.3294811248779, 5.16992521286011, 23.0, 1336.53442382812, 0.0, 990.030029296875, 0.0, 973.847045898438, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.365148365497589, 11.0, 0.0, 12.9578189849854, 0.0, 0.0, 0.454545468091965, 8.64786720275879, 0.0, 0.0, 0.0, 1.1969233751297, 2.0, 7.73997592926025, 0.0, 0.0, 7.7704873085022, 0.0, 5.86238193511963, 0.16666667163372, 11.0019655227661, 0.0, 0.0, 4.43689298629761, 8.0, 0.0, 0.1941127628088, 0.0, 0.0, 0.0, 0.0, -0.0597725920379162, 1.0, 3.34738922119141, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H12O4%2Fc1-3-10%2816-8%282%2913%299-4-5-11-12%286-9%2915-7-14-11%2Fh3-6%2C10H%2C1%2C7H2%2C2H3, 0.0, 2.10525751113892 2.10525751113892, 2.02836608886719, 0.144502073526382, 1.0, 3.0, 0.0, 3.32670974731445 3.32670974731445, 1.49982392787933, -0.00671995617449284, 0.0, 0.0, 4.07482290267944 4.07482290267944, -0.076129250228405, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 80.0, 212.0, 0.670291185379028 0.670291185379028, 0.0, 0.0, 0.0, 0.0, 0.866632461547852 0.866632461547852, 0.0, 0.622369885444641, 0.0, 12.4567470550537, 0.0, 0.0, 0.854473769664764 0.854473769664764, 0.0, 5.55765581130981, 0.117851130664349, 0.0, 0.0, 0.0, 3.02972650527954, 0.234708055853844, 0.0294627826660872, 0.0, 0.0, 0.301472395658493, 8.93395805358887, 0.0580769516527653, 4.89783954620361, 0.061677772551775, , 3.87917613983154, 0.365450888872147, 0.0, 3.37843418121338, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.23216533660889, 0.0, 0.0365693494677544, 0.0, 1.52114021778107, 1.0, 0.0, 0.0, 0.919705748558044, 0.0, 0.0, 0.0, 1.0, 0.465250223875046, 0.0, 44.7599983215332, 0.0, 0.270291984081268, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.0978755950928, 1.0, 0.0, 19.3246440887451, 0.766309440135956, 0.0, 442.0, 0.200000002980232, 836.151062011719, 1.0, 0.0, 27.2056732177734, 2.2753963470459, 956.492370605469, 0.0, 0.0, 23.6567363739014, 0.0, 0.0, 0.0, 0.0, 2.779865026474, 1289.24169921875, 21.3246440887451, 5.0, 21.0, 1187.12817382812, 0.0, 601.039978027344, 0.0, 969.142272949219, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 6.0, 0.0, 11.5436058044434, 0.0, 0.0, 0.5, 7.70270872116089, 1.0, 0.0, 0.0, 1.07491493225098, 0.0, 6.82207202911377, 1.0, 0.0, 3.41278743743896, 0.0, 5.29544162750244, 0.16666667163372, 10.4304904937744, 0.0, 0.0, 4.46494770050049, 3.0, 0.0, 0.61239618062973, 0.0, 0.0, 0.0, 1.0, -0.416390538215637, 0.0, 3.28970050811768, 0.0, 0.0, 0.0
InChI%3D1S%2FCH2O%2Fc1-2%2Fh1H2, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 2.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.11535501480103, 0.0, 0.288675129413605, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 17.0699996948242, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.77446913719177, 0.0, 0.0, 1.33209192752838, 0.0, 0.0, 1.0, 0.0, 11.6959047317505, 0.0, 0.0, 0.0, 0.0, 5.77306795120239, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 7.01000022888184, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.156959161162376, 0.0, 0.0, 0.0, 1.0, -0.0784795805811882, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC2H3Br%2Fc1-2-3%2Fh2H%2C1H2, 0.0, 0.0 0.0, 0.0, -0.00154212629422545, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 6.0, 6.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.24841809272766, 0.0, 1.5421416759491, 0.0, , 0.0, 0.0, 0.0, 0.801783740520477, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 46.2580909729004, 0.0, 0.0, 7.65267562866211, 0.0, 0.0, 4.0, 0.0, 114.287864685059, 0.0, 0.0, 6.65267562866211, 1.0, 79.9560928344727, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 32.428466796875, 0.0, 2.58496260643005, 0.0, 0.0, 0.0, 19.0100002288818, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.70710682868958, 1.0, 0.0, 0.5, 1.41421353816986, 1.0, 0.0, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0164902284741402, 0.0, 0.0, 0.0, 0.0, -0.00670298840850592, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC2HCl2F3%2Fc3-1%284%292%285%2C6%297%2Fh1H, 0.0, 2.5980761051178 2.5980761051178, 0.0, -0.168829381465912, 0.0, 0.0, 2.0, 0.577350258827209 0.577350258827209, 0.0, 0.126409858465195, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 30.0, 29.0, 0.70141464471817 0.70141464471817, 0.0, 0.0, 0.0, 0.0, 0.0353479757905006 0.0353479757905006, 0.0, 0.0, 0.0, 7.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.85185182094574, 0.0, 0.0, 0.0, 0.0, 2.66666674613953, 0.0, 0.0, 0.0, 0.0, 0.0, 4.47903060913086, 0.0, 2.16492915153503, 0.0, , 0.0, 0.521869122982025, 0.0, 1.93857371807098, 0.0, 1.0, 0.0, 0.0155869917944074, 0.0, 0.0, 0.742307484149933, 0.0, 0.159065887331963, 0.0, 0.0, 0.0, 0.0200404189527035, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 26.9316387176514, 0.0, 0.0, 11.6488304138184, 0.0, 0.0, 42.0, 0.0, 186.186630249023, 0.0, 0.0, 26.8677158355713, 0.0, 184.513885498047, 1.0, 0.0, 28.0140857696533, 0.0, 0.0, 0.0, 0.0, 0.0, 207.008987426758, 0.0, 3.80735492706299, 6.0, 114.595428466797, 0.0, 7.05000019073486, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.07735013961792, 0.0, 0.0, 0.333333343267441, 2.94337558746338, 0.0, 0.0, 0.0, 1.65470051765442, 0.0, 3.52072596549988, 1.0, 0.288675129413605, 0.0, 0.0, 1.73205077648163, 0.866025388240814, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.40569195151329, 0.288675129413605, 0.0, 0.0, 0.0, -0.160426452755928, 0.0, 0.0, 0.0, 3.0, 0.0
InChI%3D1S%2FC7H6N4O3S%2Fc8-10-7-9-4%283-15-7%295-1-2-6%2814-5%2911%2812%2913%2Fh1-3H%2C8H2%2C%28H%2C9%2C10%29, 0.0, 2.38468384742737 2.38468384742737, 2.04432225227356, -0.0423004776239395, 0.0, 0.0, 0.0, 3.01090502738953 3.01090502738953, 1.077632188797, 0.155019819736481, 0.0, 0.0, 3.33648824691772 3.33648824691772, -0.122808493673801, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 1.0, 76.0, 215.0, 0.661933183670044 0.661933183670044, 0.0, 0.5, 0.0, 0.0, 0.826438367366791 0.826438367366791, 0.0, 0.666666686534882, 0.0, 11.484375, 0.0, 0.0, 0.70060408115387 0.70060408115387, 0.0, 4.88842964172363, 0.235702261328697, 0.0, 0.0, 0.0, 2.57142853736877, 0.287457466125488, 0.113077633082867, 0.0, 0.0, 0.499262422323227, 8.15331840515137, 0.111281804740429, 4.75172996520996, 0.119003258645535, , 2.52506470680237, 0.35037836432457, 1.0, 3.43533277511597, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.42537569999695, 0.0, 0.0239986199885607, 0.0, 1.62788236141205, 0.0, 0.0, 0.0, 0.845230400562286, 0.0, 0.0, 0.0, 0.0, 0.508405804634094, 0.0, 138.139999389648, 0.0, 0.251451313495636, 0.0, 1.15470051765442, 0.0, 0.0, 0.0, 0.125, 24.89111328125, 0.0, 0.0, 22.1354160308838, 0.0, 0.0, 384.0, 0.0, 858.672119140625, 0.0, 0.0, 31.9098377227783, 0.0, 991.879455566406, 0.0, 0.0, 26.0728435516357, 0.0, 0.0, 0.0, 0.0, 0.0, 1340.83959960938, 22.8837566375732, 4.90689039230347, 18.0, 993.441223144531, 0.0, 274.079986572266, 0.0, 866.182556152344, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.338061690330505, 4.0, 0.0, 10.8364992141724, 0.0, 0.0, 0.444444447755814, 7.20270872116089, 0.0, 1.0, 0.0, 1.03745746612549, 0.0, 6.42463445663452, 0.0, 0.0, 1.31037068367004, 0.0, 5.28236150741577, 0.25, 5.69378614425659, 1.0, 0.0, 3.99895071983337, 3.0, 0.0, 0.369802713394165, 0.0, 0.0, 1.0, 2.0, -0.196324601769447, 0.0, 2.63897085189819, 0.0, 0.0, 0.0
InChI%3D1S%2FC5H11N3O3%2Fc1-2-8%287-11%295%2810%296-3-4-9%2Fh9H%2C2-4H2%2C1H3%2C%28H%2C6%2C10%29, 0.0, 1.11785113811493 1.11785113811493, 0.333333343267441, 0.0798303931951523, 3.0, 0.0, 0.0, 1.50592231750488 1.50592231750488, 0.16666667163372, -0.0298642683774233, 0.0, 0.0, 1.0648478269577 1.0648478269577, -0.0459855310618877, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 42.0, 107.0, 0.246069297194481 0.246069297194481, 0.0, 0.577757060527802, 0.0, 0.0, 0.238944873213768 0.238944873213768, 0.0, 0.0, 0.0, 11.0, 0.0, 0.0, 0.141161993145943 0.141161993145943, 0.0, 6.69421482086182, 0.0, 0.0, 0.0, 0.0, 4.44444465637207, 0.0, 0.0, 2.0, 0.0, 0.0, 6.2656364440918, 0.0, 3.20918464660645, 0.0, , 0.0, 0.115432038903236, 0.0, 1.70274019241333, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.982183933258057, 0.0, 0.0141421351581812, 0.0, 0.467294007539749, 1.0, 0.0, 0.0, 0.165347322821617, 0.0, 0.0, , 0.0, 0.070295438170433, 0.0, 85.4899978637695, 0.0, 0.0198938716202974, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.4033708572388, 0.0, 0.0, 12.2423791885376, 0.0, 0.0, 176.0, 0.0, 375.6611328125, 1.0, 0.0, 14.017219543457, 0.965489387512207, 381.028472900391, 0.0, 0.0, 15.2938442230225, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 415.246032714844, 13.1548585891724, 4.45943164825439, 12.0, 396.278686523438, 0.0, 331.059997558594, 0.0, 290.23193359375, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 1.41421353816986, 0.0, 0.0, 8.69023418426514, 0.0, 0.0, 0.428571432828903, 5.25674867630005, 0.0, 0.0, 0.0, 0.402368932962418, 2.0, 3.69608855247498, 0.0, 0.0, 1.10520946979523, 0.0, 2.86651206016541, 0.117851130664349, 1.31037068367004, 0.0, 0.0, 1.85521471500397, 0.0, 0.0, 0.307690382003784, 0.0, 0.0, 0.0, 1.0, -0.191014602780342, 1.0, 0.724344193935394, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H4Cl6O4%2Fc10-3-4%2811%298%2813%292%286%2818%2919%291%285%2816%2917%297%283%2C12%299%288%2C14%2915%2Fh1-2H%2C%28H%2C16%2C17%29%28H%2C18%2C19%29, 0.0, 9.0721492767334 9.0721492767334, 3.09830212593079, 0.114036560058594, 0.0, 0.0, 6.0, 16.669075012207 16.669075012207, 1.31312894821167, -0.171507894992828, 0.0, 0.0, 29.0289497375488 29.0289497375488, -0.719654262065887, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 112.0, 188.0, 8.7282886505127 8.7282886505127, 0.0, 1.62865054607391, 0.0, 0.0, 14.6585521697998 14.6585521697998, 0.0, 0.0, 0.0, 15.3900003433228, 0.0, 0.0, 22.8885707855225 22.8885707855225, 0.0, 4.01388883590698, 0.0833333358168602, 0.0, 0.0, 0.0, 1.36979782581329, 0.588782012462616, 0.0729166641831398, 2.0, 0.0, 2.0444324016571, 13.168984413147, 0.54183828830719, 6.99517583847046, 1.89923989772797, , 7.18623638153076, 2.56434440612793, 0.0, 7.53335857391357, 0.0, 9.59415340423584, 0.0, 0.324377715587616, 0.0, 0.0, 7.72673320770264, 0.0, 2.61752843856812, 0.0, 5.53736019134521, 0.0, 1.0214809179306, 0.0, 3.75348925590515, 0.0, 0.0, 0.0, 0.0, 2.00239324569702, 0.0, 74.5999984741211, 0.0, 0.71689248085022, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 68.374397277832, 4.0, 0.0, 33.0387916564941, 0.0, 0.0, 540.0, 0.0, 2100.45629882812, 4.0, 0.0, 73.9143829345703, 0.0, 2755.24291992188, 3.0, 0.0, 145.584228515625, 0.0, 0.0, 0.0, 0.0, 0.0, 4812.90283203125, 129.548065185547, 5.24792766571045, 46.0, 4915.38671875, 0.0, 234.100006103516, 0.0, 2932.30615234375, 0.0, 0.0, 0.0, 0.0, 0.0, 2.38110160827637, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 1.0, 0.0, 14.9641017913818, 0.0, 0.0, 0.333333343267441, 8.45213508605957, 0.0, 0.0, 0.0, 3.01980042457581, 0.0, 9.30733489990234, 2.0, 0.291666656732559, 0.0, 0.0, 8.54344654083252, 2.50982856750488, 0.0, 0.0, 0.0, 7.15808343887329, 0.0, 0.0, 0.657990097999573, 0.857122421264648, 0.0, 0.0, 2.0, -0.121664300560951, 0.0, 5.76642847061157, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H13NO2S%2Fc1-2-10-4-3-5%287%296%288%299%2Fh5H%2C2-4%2C7H2%2C1H3%2C%28H%2C8%2C9%29, 0.0, 1.20710682868958 1.20710682868958, 0.394337564706802, -0.0597582273185253, 3.0, 0.0, 0.0, 0.617851138114929 0.617851138114929, 0.16666667163372, 0.0223692487925291, 0.0, 0.0, 0.603553414344788 0.603553414344788, -0.0409503616392612, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 38.0, 98.0, 0.251847326755524 0.251847326755524, 0.0, 0.5, 0.0, 0.0, 0.199702873826027 0.199702873826027, 0.0, 0.0, 1.0, 10.0, 0.0, 0.0, 0.206968367099762 0.206968367099762, 0.0, 5.76000022888184, 0.0, 0.0, 0.0, 0.0, 5.53086423873901, 0.0, 0.0, 1.0, 0.0, 0.0, 6.85622787475586, 0.0, 4.39714527130127, 0.0, , 1.0, 0.170555755496025, 1.0, 3.32417607307434, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.02714014053345, 0.0, 0.0215165745466948, 0.0, 1.18738877773285, 1.0, 0.0, 0.0, 0.670563280582428, 0.0, 0.0, 0.0, 0.0, 0.376270294189453, 0.0, 88.620002746582, 0.0, 0.106932736933231, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.036678314209, 0.0, 0.0, 13.169939994812, 0.0, 0.0, 143.0, 0.0, 506.337524414062, 1.0, 0.0, 15.1105937957764, 1.31037068367004, 495.255218505859, 0.0, 0.0, 12.6070861816406, 0.0, 0.0, 0.0, 0.0, 0.365148365497589, 499.298583984375, 10.4474334716797, 4.32192802429199, 9.0, 425.739562988281, 0.0, 394.040008544922, 0.0, 297.954071044922, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 7.98312759399414, 0.0, 0.0, 0.428571432828903, 4.680739402771, 0.0, 0.0, 0.0, 0.569035589694977, 0.0, 3.71708273887634, 1.0, 0.0, 1.65096366405487, 0.0, 2.40109062194824, 0.235702261328697, 2.40685200691223, 0.0, 0.0, 1.0496461391449, 0.0, 0.0, 0.267620921134949, 0.0, 0.0, 0.0, 1.0, -0.100243918597698, 0.0, 0.607710719108582, 0.0, 0.0, 0.0
InChI%3D1S%2FC2H5NS%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29, 0.0, 0.0 0.0, 0.0, -0.00635908078402281, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 12.0, 9.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.33333337306976, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 3.34164071083069, 0.0, 1.42082035541534, 0.0, , 0.0, 0.335410207509995, 0.0, 1.25623059272766, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 62.6500015258789, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.4877414703369, 0.0, 0.0, 4.83597040176392, 0.0, 0.0, 9.0, 0.0, 162.695770263672, 1.0, 0.0, 6.94943475723267, 0.0, 134.804580688477, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 103.386726379395, 0.0, 3.0, 0.0, 0.0, 1.0, 52.0200004577637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.5773503780365, 0.0, 0.0, 0.5, 1.73205077648163, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 1.73205077648163, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0396737493574619, 0.0, 0.0, 0.0, 0.0, -0.0134777948260307, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC19H20N2O2%2Fc1-2-3-14-17-18%2822%2920%2815-10-6-4-7-11-15%2921%2819%2817%2923%2916-12-8-5-9-13-16%2Fh4-13%2C17H%2C2-3%2C14H2%2C1H3, 0.0, 3.24205446243286 3.24205446243286, 3.83419013023376, -0.0523943454027176, 3.0, 0.0, 0.0, 6.18063640594482 6.18063640594482, 2.73833060264587, -0.028117498382926, 0.0, 0.0, 9.50682735443115 9.50682735443115, 0.048309899866581, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 118.0, 380.0, 1.10123932361603 1.10123932361603, 0.0, 0.25, 0.0, 0.0, 1.6854362487793 1.6854362487793, 0.0, 0.0, 0.0, 17.8111991882324, 0.0, 0.0, 2.15956854820251 2.15956854820251, 1.0, 8.39273357391357, 0.0641500279307365, 0.0, 0.0, 0.0, 3.81944441795349, 0.451859205961227, 0.0288675129413605, 0.0, 0.0, 0.63146436214447, 13.1830968856812, 0.137000188231468, 8.01674842834473, 0.149133294820786, , 4.68954133987427, 0.456542521715164, 0.0, 5.66599464416504, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.06157636642456, 0.0, 0.10667135566473, 0.0, 2.87698173522949, 1.0, 0.0, 0.0, 2.0102436542511, 0.0, 0.0, 0.0, 0.0, 1.13316130638123, 0.0, 40.6199989318848, 0.0, 0.694051146507263, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 25.268913269043, 1.0, 0.0, 26.6889133453369, 0.0, 0.0, 1109.0, 0.0, 1599.06652832031, 2.0, 0.0, 37.4329681396484, 2.13182950019836, 1895.3642578125, 0.0, 0.0, 41.7613372802734, 0.0, 0.0, 0.0, 0.0, 0.913967549800873, 2687.67358398438, 42.7606887817383, 5.52356195449829, 37.0, 2815.28833007812, 0.0, 1519.0400390625, 0.0, 2709.72338867188, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 15.0, 0.0, 16.2338409423828, 0.0, 0.0, 0.400000005960464, 11.236382484436, 0.0, 0.0, 0.0, 1.07653844356537, 0.0, 9.47519779205322, 1.0, 0.0, 17.9505424499512, 0.0, 8.28871440887451, 0.433583050966263, 18.2539119720459, 0.0, 0.0, 7.2416205406189, 10.0, 0.0, 0.353176176548004, 0.0, 0.0, 0.0, 2.0, -0.12696361541748, 2.0, 5.93089008331299, 0.0, 0.0, 0.0
InChI%3D1S%2FC33H40N2O9%2Fc1-38-19-7-8-20-21-9-10-35-16-18-13-27%2844-32%2836%2917-11-25%2839-2%2930%2841-4%2926%2812-17%2940-3%2931%2842-5%2928%2833%2837%2943-6%2922%2818%2915-24%2835%2929%2821%2934-23%2820%2914-19%2Fh7-8%2C11-12%2C14%2C18%2C22%2C24%2C27-28%2C31%2C34H%2C9-10%2C13%2C15-16H2%2C1-6H3%2Ft18-%2C22%3F%2C24-%2C27%3F%2C28%2B%2C31%2B%2Fm1%2Fs1, 0.0, 8.21538829803467 8.21538829803467, 10.1862277984619, -0.0270535182207823, 5.0, 7.0, 0.0, 14.295521736145 14.295521736145, 8.09396457672119, 0.258515596389771, 0.0, 0.0, 21.8372764587402 21.8372764587402, -0.400348305702209, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 242.0, 1423.0, 3.81254911422729 3.81254911422729, 0.0, 0.142857149243355, 0.0, 0.0, 6.02780055999756 6.02780055999756, 0.0, 2.34948968887329, 0.0, 33.8842163085938, 0.0, 0.0, 8.34400749206543 8.34400749206543, 0.0, 14.6319446563721, 0.0785674229264259, 0.0, 0.0, 0.0, 6.43681001663208, 0.492096543312073, 0.0279508493840694, 0.0, 0.0, 1.11555051803589, 25.9550495147705, 0.233735054731369, 14.8399686813354, 0.488013982772827, , 28.4149227142334, 1.49384617805481, 0.0, 11.6217861175537, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.67653846740723, 2.0, 0.339695811271667, 0.0, 7.66955947875977, 6.0, 0.0, 0.0, 6.09141540527344, 0.0, 0.0, 0.0, 0.0, 4.22990322113037, 0.0, 114.879997253418, 0.0, 3.05062794685364, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 51.6901969909668, 6.0, 0.0, 55.1443977355957, 2.85762429237366, 0.0, 6905.0, 1.42058408260345, 3232.54345703125, 2.0, 0.0, 80.19189453125, 6.86201000213623, 3974.11352539062, 0.0, 0.0, 97.4848098754883, 0.0, 0.0, 0.0, 0.0, 13.6887922286987, 6016.50537109375, 100.837020874023, 6.45943164825439, 86.0, 6799.107421875, 0.0, 5852.10986328125, 0.0, 6477.1591796875, 7.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.333333343267441, 17.0, 0.0, 31.1202278137207, 0.0, 0.0, 0.5, 21.3451309204102, 0.0, 0.0, 0.0, 2.90588569641113, 0.0, 18.8552913665771, 6.0, 0.0, 8.723801612854, 0.0, 17.5771636962891, 0.862055361270905, 35.1200637817383, 1.0, 0.0, 15.3319873809814, 5.0, 0.0, 1.58534979820251, 0.0, 0.0, 0.0, 2.0, -0.862387001514435, 1.0, 13.3397436141968, 0.0, 0.0, 0.0
InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H, 0.0, 0.0 0.0, 0.0, 0.031750425696373, 0.0, 0.0, 2.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 12.0, 9.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.33333337306976, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 4.80909824371338, 0.0, 2.4432008266449, 0.0, , 0.0, 1.4578629732132, 0.0, 3.31373596191406, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 62.6835975646973, 0.0, 0.0, 12.5561504364014, 0.0, 0.0, 9.0, 0.0, 228.361831665039, 0.0, 0.0, 47.9866561889648, 0.0, 194.132553100586, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 135.155410766602, 0.0, 3.0, 0.0, 0.0, 0.0, 4.03000020980835, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.5773503780365, 1.0, 0.0, 0.5, 1.73205077648163, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 1.73205077648163, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.129209727048874, 0.0, 0.0, 0.0, 0.0, -0.0963552892208099, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H12N2O2%2Fc1-3-4-8%287-10%295-6%282%299%2Fh3%2C6%2C9H%2C1%2C4-5H2%2C2H3, , 0.702015101909637 0.702015101909637, 0.235702261328697, -0.013336262665689, 2.0, 0.0, 0.0, 1.05889523029327 1.05889523029327, 0.0, 0.0171087086200714, , 0.0, 1.03240871429443 1.03240871429443, -0.0517173931002617, , 0.0, 1.0, 0.0, 0.0, 0.0, 38.0, 81.0, 0.237944543361664 0.237944543361664, 0.0, 0.200000002980232, 0.0, 0.0, 0.299103409051895 0.299103409051895, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.196648836135864 0.196648836135864, 0.0, 5.76000022888184, 0.0, 0.0, 0.0, 0.0, 5.53086423873901, 0.0, 0.0, 1.0, 0.0, 0.0, 6.02590990066528, 0.0, 3.07532382011414, 0.0, , 0.0, 0.28257417678833, 0.0, 2.09094405174255, 0.0, 0.0, , 0.0, , 0.0, 0.930291533470154, 0.0, 0.0, , 0.595223367214203, 1.0, 0.0, 0.0, 0.232384234666824, , , , 1.0, 0.0762748569250107, 0.0, 52.9000015258789, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 12.2689142227173, 0.0, , 10.5779161453247, 0.0, , 134.0, 0.16666667163372, 375.952972412109, 0.0, 0.0, 11.8823909759521, 2.2941734790802, 375.259613037109, 0.0, 0.0, 10.8823909759521, 0.0, 0.0, 0.0, , 0.894427180290222, 399.824768066406, 10.8821125030518, 4.32192802429199, 9.0, 337.65576171875, 0.0, 351.040008544922, 0.0, 283.071472167969, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 1.0, 0.0, , , 3.0, 0.0, , , 0.0, 1.0, 0.0, 1.0, 1.0, 0.0, 7.98312759399414, , , 0.5, 4.70190715789795, 1.0, 0.0, 0.0, 0.61237245798111, 1.0, 3.69249796867371, 1.0, 0.0, 1.65096366405487, , 2.0790114402771, 0.0, 1.31037068367004, 0.0, 0.0, 1.56355690956116, 0.0, 0.0, 0.149139165878296, 0.0, 0.0, 0.0, 1.0, -0.0523344874382019, 1.0, 0.891010880470276, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H7N3O3%2Fc4-3%288%296%285-9%291-2-7%2Fh7H%2C1-2H2%2C%28H2%2C4%2C8%29, , 1.08925569057465 1.08925569057465, 0.0, 0.0570121109485626, 2.0, 0.0, 0.0, 1.20710682868958 1.20710682868958, 0.0, -0.0194794684648514, , 0.0, 0.804737865924835 0.804737865924835, -0.117917880415916, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 34.0, 63.0, 0.203561648726463 0.203561648726463, 0.0, 0.646330416202545, 0.0, 0.0, 0.151606187224388 0.151606187224388, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.0591247007250786 0.0591247007250786, 0.0, 4.83950614929199, 0.0, 0.0, 0.0, 0.0, 3.55555558204651, 0.0, 0.0, 2.0, 0.0, 0.0, 4.61131620407104, 0.0, 2.21224331855774, 0.0, , 0.0, 0.120710678398609, 0.0, 1.25200533866882, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.654852211475372, 0.0, 0.0158113874495029, , 0.280117720365524, 0.0, 0.0, 0.0, 0.065618097782135, 0.0, , , 0.0, 0.0, 0.0, 96.9800033569336, 0.0, 0.0, , 0.333333343267441, 0.0, 0.0, 0.0, 0.5, 12.4033708572388, 0.0, 0.0, 10.0761938095093, 0.0, , 96.0, 0.0, 261.248962402344, 1.0, 0.0, 11.8510341644287, 0.0, 263.628570556641, 0.0, 0.0, 11.7955665588379, 0.0, 0.0, 0.0, , 0.0, 284.332672119141, 10.0438623428345, 4.16992521286011, 9.0, 241.509704589844, 0.0, 153.059997558594, 0.0, 144.633926391602, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, , , 2.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 7.27602100372314, , , 0.400000005960464, 4.21874380111694, 0.0, 0.0, 0.0, 0.5, 1.0, 3.20102000236511, 0.0, 0.0, 1.0, 0.0, 2.12665247917175, 0.16666667163372, 0.816496610641479, 0.0, 0.0, 1.37965285778046, 0.0, 0.0, 0.255220711231232, 0.0, 0.0, 0.0, 1.0, -0.131692856550217, 1.0, 0.537457466125488, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H10N6O%2Fc1-12%282%2911-10-6-4%285%287%2913%298-3-9-6%2Fh3H%2C1-2H3%2C%28H2%2C7%2C13%29%28H%2C8%2C9%29%2Fb11-10-, 0.0, 1.72744655609131 1.72744655609131, 1.07013893127441, -0.0160318668931723, 0.0, 0.0, 0.0, 2.33629703521729 2.33629703521729, 0.634585499763489, -0.118189662694931, 0.0, 0.0, 2.44317555427551 2.44317555427551, 0.0720535889267921, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 60.0, 143.0, 0.381218194961548 0.381218194961548, 0.0, 0.0, 0.0, 0.0, 0.35818737745285 0.35818737745285, 0.0, 0.0, 0.0, 11.0769233703613, 0.0, 0.0, 0.252752721309662 0.252752721309662, 0.0, 5.02422142028809, 0.117851130664349, 0.0, 0.0, 0.0, 3.32409977912903, 0.151374712586403, 0.0288675129413605, 0.0, 0.0, 0.243120849132538, 7.29901695251465, 0.0273437015712261, 3.47444462776184, 0.0264543648809195, , 2.38110160827637, 0.364827275276184, 1.0, 2.44678974151611, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.13037884235382, 0.0, 0.024356497451663, 0.0, 0.638964712619781, 2.0, 0.0, 0.0, 0.281494855880737, 0.0, 0.0, 0.0, 0.0, 0.133865252137184, 0.0, 96.8300018310547, 0.0, 0.058326356112957, 0.0, 1.01626551151276, 0.0, 0.0, 0.0, 0.16666667163372, 15.9343976974487, 0.0, 0.0, 15.3815498352051, 0.0, 0.0, 262.0, 0.5, 511.689910888672, 1.0, 0.0, 20.2950038909912, 0.333333343267441, 557.115173339844, 0.0, 0.0, 17.2950038909912, 0.0, 0.0, 0.0, 0.0, 1.21644043922424, 703.668090820312, 16.5437164306641, 4.70043992996216, 14.0, 552.426818847656, 0.0, 328.070007324219, 0.0, 474.623565673828, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 2.62074136734009, 0.0, 2.0, 1.59054148197174, 1.0, 0.0, 9.84493541717529, 0.0, 0.0, 0.428571432828903, 6.10906076431274, 0.0, 0.0, 0.0, 1.04433107376099, 2.0, 5.57005214691162, 0.0, 0.0, 0.0, 0.0, 3.68898367881775, 0.20412415266037, 1.31037068367004, 2.0, 0.0, 2.84900808334351, 1.0, 0.0, 0.41605669260025, 0.0, 0.0, 0.0, 1.0, -0.17573007941246, 1.0, 1.74382984638214, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H6O3S%2Fc4-7%285%293-1-2-6-7%2Fh1-3H2, 0.0, 1.20710682868958 1.20710682868958, 0.0, 0.111723847687244, 3.0, 1.0, 0.0, 1.45710682868958 1.45710682868958, 0.0, -0.0864193812012672, 0.0, 0.0, 0.5 0.5, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 34.0, 34.0, 0.403014659881592 0.403014659881592, 0.0, 0.5, 1.0, 0.0, 0.446163654327393 0.446163654327393, 0.0, 1.0, 0.0, 5.14285707473755, 0.0, 0.0, 0.0834376960992813 0.0834376960992813, 0.0, 1.5, 0.125, 0.0, 0.0, 0.0, 1.1851851940155, 0.25, 0.125156536698341, 0.0, 0.0, 0.125, 4.21317529678345, 0.102189891040325, 2.96380305290222, 0.0208594240248203, , 0.0, 0.365569025278091, 0.0, 2.42603993415833, 0.0, 0.0, 0.0, 0.0417188480496407, 0.0, 0.0, 1.5402774810791, 0.0, 0.0, 0.0, 1.02061414718628, 0.0, 0.0, 0.0, 0.20437978208065, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 15.4511604309082, 0.0, 0.0, 16.6710758209229, 0.0, 0.0, 39.0, 0.0, 355.687530517578, 0.0, 0.0, 16.9913463592529, 0.0, 378.366729736328, 0.0, 0.0, 5.32836771011353, 0.0, 0.0, 0.0, 0.0, 0.0, 506.468109130859, 0.0, 3.80735492706299, 4.0, 164.179504394531, 0.0, 127.040000915527, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 5.3284273147583, 0.0, 0.0, 0.333333343267441, 3.20710682868958, 0.0, 0.0, 0.0, 1.20710682868958, 0.0, 3.37132024765015, 0.0, 0.25, 2.38110160827637, 0.0, 1.95710682868958, 0.0, 0.0, 0.0, 0.0, 1.33210682868958, 0.0, 0.0, 0.27516970038414, 0.0, 0.0, 0.0, 2.0, -0.162889316678047, 0.0, 0.5, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H12N2%2Fc13-11-5-1-9%282-6-11%2910-3-7-12%2814%298-4-10%2Fh1-8H%2C13-14H2, 0.0, 1.75930559635162 1.75930559635162, 1.83991479873657, -0.008943697437644, 0.0, 0.0, 0.0, 2.1989119052887 2.1989119052887, 1.04034233093262, -0.000669002300128341, 0.0, 0.0, 2.88035488128662 2.88035488128662, 0.000228936507483013, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 70.0, 200.0, 0.607122421264648 0.607122421264648, 0.0, 0.0, 0.0, 0.0, 0.66037505865097 0.66037505865097, 0.0, 0.0, 0.0, 10.5155553817749, 0.0, 0.0, 0.709639012813568 0.709639012813568, 0.0, 4.67999982833862, 0.0, 0.0, 0.0, 0.0, 2.75, 0.16666667163372, 0.0, 0.0, 0.0, 0.262891709804535, 7.77350282669067, 0.0555555559694767, 4.47008466720581, 0.0598527938127518, , 1.89484846591949, 0.359116762876511, 2.0, 3.24401688575745, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.15470051765442, 0.0, 0.0277777779847383, 0.0, 1.35113930702209, 0.0, 0.0, 0.0, 0.940455734729767, 0.0, 0.0, 0.0, 0.0, 0.453038930892944, 0.0, 52.0400009155273, 0.111111111938953, 0.220227867364883, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.7199764251709, 2.0, 0.0, 15.3323707580566, 0.0, 0.0, 315.0, 0.0, 862.495239257812, 0.0, 0.0, 20.6647415161133, 0.0, 973.666687011719, 0.0, 0.0, 18.6647415161133, 0.0, 0.0, 0.0, 0.0, 0.0, 1273.98278808594, 12.3323707580566, 4.80735492706299, 18.0, 1134.39038085938, 0.0, 547.02001953125, 0.0, 750.532104492188, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 9.96625518798828, 0.0, 0.0, 0.444444447755814, 6.75402021408081, 0.0, 0.0, 0.0, 0.910683631896973, 0.0, 6.03990364074707, 0.0, 0.0, 9.90748405456543, 0.0, 4.7876935005188, 0.0833333358168602, 14.0599384307861, 0.0, 0.0, 3.51453518867493, 8.0, 0.0, 0.0539545640349388, 0.0, 0.0, 0.0, 0.0, -0.017318457365036, 0.0, 3.00613451004028, 0.0, 0.0, 0.0
InChI%3D1S%2FC19H27NO7%2Fc1-11-9-19%2812%282%2927-19%2917%2823%2926-14-6-8-20%284%297-5-13%2815%2814%2921%2910-25-16%2822%2918%2811%2C3%2924%2Fh5%2C11-12%2C14%2C24H%2C6-10H2%2C1-4H3%2Fb13-5-%2Ft11-%2C12-%2C14-%2C18-%2C19%3F%2Fm1%2Fs1, 0.0, 7.56715869903564 7.56715869903564, 4.1686577796936, -0.128749445080757, 5.0, 3.0, 0.0, 9.09138202667236 9.09138202667236, 2.86160159111023, 0.249525681138039, 0.0, 0.0, 11.4861421585083 11.4861421585083, -0.158426403999329, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 148.0, 454.0, 3.17508316040039 3.17508316040039, 0.0, 1.09913980960846, 0.0, 0.20412415266037, 3.21128344535828 3.21128344535828, 0.117851130664349, 2.92363142967224, 0.0, 21.7027339935303, 0.466312855482101, 0.0, 3.64859914779663 3.64859914779663, 0.0, 8.02469158172607, 0.262188702821732, 0.0, 0.0, 0.260110020637512, 4.30221223831177, 0.457630306482315, 0.142258897423744, 1.0, 0.0, 0.705784499645233, 16.1888523101807, 0.182282716035843, 9.27935314178467, 0.24728998541832, , 6.5189266204834, 1.63951623439789, 0.0, 8.01687812805176, 0.0, 5.24915361404419, 0.0, 0.106216385960579, 0.0, 0.0, 5.83583927154541, 0.0, 0.414033830165863, 0.0, 3.40282011032104, 4.0, 0.0633462816476822, 0.0, 2.35314273834229, 0.0, 0.0, 0.0, 0.0, 1.4930340051651, 0.0, 105.669998168945, 0.0, 0.878778457641602, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 32.7812728881836, 3.0, 0.0, 32.8194770812988, 0.669432938098907, 0.0, 1588.0, 0.928317785263062, 1818.70434570312, 4.0, 0.0, 48.8626899719238, 4.66380786895752, 2156.92553710938, 2.0, 0.0, 62.8465538024902, 0.0, 0.0, 0.0, 0.0, 6.38911533355713, 2943.72680664062, 60.2984199523926, 5.75488758087158, 52.0, 3462.85815429688, 0.0, 2434.080078125, 2.43803572654724, 3465.81958007812, 0.0, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 4.0, 0.0, 19.9827632904053, 0.0, 0.0, 0.400000005960464, 12.5750589370728, 1.0, 0.0, 0.0, 3.06601619720459, 0.0, 12.5191698074341, 3.0, 0.25, 4.48785066604614, 0.0, 10.6857433319092, 1.42416501045227, 12.1310176849365, 0.0, 0.0, 7.0704460144043, 0.0, 0.0, 1.05591678619385, 0.294627815485001, 2.73541784286499, 0.0, 3.0, -0.484693378210068, 1.0, 5.40114450454712, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H15Cl6O4P%2Fc10-1-7%282-11%2917-20%2816%2C18-8%283-12%294-13%2919-9%285-14%296-15%2Fh7-9H%2C1-6H2, 0.0, 2.70314264297485 2.70314264297485, 1.20710682868958, 0.283053666353226, 6.0, 3.0, 6.0, 4.35466432571411 4.35466432571411, 1.0, 0.154575809836388, 0.0, 0.0, 5.61238050460815 5.61238050460815, -1.01828718185425, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 86.0, 237.0, 1.27636277675629 1.27636277675629, 0.0, 0.0, 0.0, 0.0, 1.742511510849 1.742511510849, 0.0, 1.5, 0.0, 20.0, 0.0, 0.0, 1.5740704536438 1.5740704536438, 0.0, 10.6875, 0.0, 0.0, 1.0, 0.0, 7.55555534362793, 0.0, 0.0, 0.0, 0.0, 0.0, 15.0822010040283, 0.0, 9.06329250335693, 0.0, , 0.75, 0.5362189412117, 0.0, 5.78922080993652, 0.0, 0.0, 0.0, 0.0186432246118784, 0.0, 0.0, 4.35024881362915, 0.0, 0.0, 0.0, 2.80833506584167, 0.0, 0.0, 0.0, 1.24844062328339, 0.0, 0.0, 0.0, 0.0, 0.582466661930084, 0.0, 54.5699996948242, 0.0, 0.507346272468567, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 75.0248107910156, 0.0, 0.0, 41.4477081298828, 1.5, 0.0, 826.0, 0.0, 1034.09533691406, 0.0, 0.0, 47.0863075256348, 0.0, 1085.41638183594, 0.0, 0.0, 68.7642059326172, 0.0, 0.0, 0.0, 0.0, 0.0, 1299.50927734375, 98.7882614135742, 5.32192802429199, 27.0, 1399.67517089844, 0.0, 776.109985351562, 0.0, 1496.80285644531, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 15.5960121154785, 0.0, 0.0, 0.5, 9.47753524780273, 0.0, 0.0, 0.0, 1.5391491651535, 0.0, 7.47059869766235, 3.0, 0.176776692271233, 3.1143274307251, 0.0, 5.80852508544922, 0.0, 6.15591335296631, 0.0, 0.0, 4.07282114028931, 0.0, 0.0, 0.877433478832245, 0.0, 0.0, 0.0, 1.0, -0.591778993606567, 0.0, 2.79787707328796, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H6N4O4S%2Fc1-4%2813%299-8-11-10-7%2817-8%295-2-3-6%2816-5%2912%2814%2915%2Fh2-3H%2C1H3%2C%28H%2C9%2C11%2C13%29, 0.0, 2.53411293029785 2.53411293029785, 2.2708842754364, -0.0205042380839586, 0.0, 0.0, 0.0, 3.46912670135498 3.46912670135498, 1.42817711830139, 0.150931999087334, 0.0, 0.0, 3.8432080745697 3.8432080745697, -0.154210910201073, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 86.0, 270.0, 0.790458083152771 0.790458083152771, 0.0, 0.512992799282074, 0.0, 0.0, 1.01033639907837 1.01033639907837, 0.0, 0.75394743680954, 0.0, 13.4320983886719, 0.0, 0.0, 0.884591519832611 0.884591519832611, 0.0, 5.76000022888184, 0.235702261328697, 0.0, 0.0, 0.0, 3.48444437980652, 0.287457466125488, 0.0952579379081726, 1.0, 0.0, 0.464041620492935, 9.34025859832764, 0.0902296081185341, 5.20046615600586, 0.106034249067307, , 3.38654565811157, 0.508303105831146, 0.0, 3.89977025985718, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.48601484298706, 0.0, 0.0410589650273323, 0.0, 1.76368987560272, 1.0, 0.0, 0.0, 0.914164245128632, 0.0, 0.0, 0.0, 0.0, 0.570729970932007, 0.0, 145.570007324219, 0.0, 0.303587049245834, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 27.6655807495117, 0.0, 0.0, 24.6336917877197, 0.0, 0.0, 564.0, 0.0, 957.189086914062, 1.0, 0.0, 38.0750465393066, 0.267261236906052, 1110.88330078125, 0.0, 0.0, 30.351749420166, 0.0, 0.0, 0.0, 0.0, 1.34123075008392, 1506.63659667969, 31.4964447021484, 5.08746290206909, 20.0, 1155.16088867188, 0.0, 304.089996337891, 0.0, 1085.38171386719, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 1.65096366405487, 0.0, 0.0, 0.504717230796814, 3.0, 0.0, 12.4138488769531, 0.0, 0.0, 0.5, 8.05855083465576, 0.0, 0.0, 0.0, 1.44570577144623, 1.0, 7.64593553543091, 0.0, 0.0, 1.0, 0.0, 5.50974941253662, 0.25, 3.71151256561279, 2.0, 0.0, 4.50890254974365, 2.0, 0.0, 0.491637319326401, 0.0, 0.0, 1.0, 2.0, -0.265983819961548, 0.0, 2.92683410644531, 0.0, 0.0, 0.0
InChI%3D1S%2FC2H6N2O2%2Fc1-3%282%294%285%296%2Fh1-2H3, 0.0, 1.33333337306976 1.33333337306976, 0.0, 0.0813138857483864, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, -0.0542560070753098, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 22.0, 24.0, 0.22996598482132 0.22996598482132, 0.0, 0.5, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0 0.0, 1.0, 2.22222232818604, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.71092367172241, 0.0, 1.45957553386688, 0.0, , 0.0, 0.233333334326744, 0.0, 1.08504855632782, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.326598644256592, 0.0, 0.0333333350718021, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 49.060001373291, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.26891422271729, 0.0, 0.0, 6.79929065704346, 0.0, 0.0, 29.0, 0.5, 123.311973571777, 0.0, 0.0, 8.21377182006836, 0.0, 113.897346496582, 0.0, 0.0, 5.32836771011353, 0.0, 0.0, 0.0, 0.0, 0.0, 115.523597717285, 0.0, 3.58496260643005, 4.0, 60.3793907165527, 0.0, 91.0400009155273, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.154700756073, 0.0, 0.0, 0.333333343267441, 2.64273452758789, 0.0, 0.0, 0.0, 0.666666686534882, 0.0, 2.48803377151489, 0.0, 0.0, 0.0, 0.0, 1.33333337306976, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0815666615962982, 0.0, 0.0, 0.0, 2.0, -0.0678412094712257, 1.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H6Cl2%2Fc5-3-1-2-4-6%2Fh1-2H%2C3-4H2%2Fb2-1%2B, 0.0, 0.0 0.0, 0.0, -3.27980269503314e-05, 2.0, 0.0, 2.0, 0.0 0.0, 0.0, 0.0264205373823643, 0.0, 0.0, 0.0 0.0, -0.0490519925951958, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 18.0, 38.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0 0.0, 0.0, 5.0, 0.0, 0.0, 0.0, 0.0, 5.33333349227905, 0.0, 0.0, 0.0, 0.0, 0.0, 4.83670091629028, 0.0, 2.7533974647522, 0.0, , 0.0, 0.0, 0.0, 1.39722466468811, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.701189160346985, 0.0, 0.0, 0.0, 0.377964466810226, 0.0, 0.0, 0.0, 0.214285716414452, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 21.4255065917969, 0.0, 0.0, 8.90347480773926, 0.0, 0.0, 35.0, 0.0, 264.469085693359, 0.0, 0.0, 7.90347480773926, 0.0, 232.870346069336, 0.0, 0.0, 6.90347480773926, 0.0, 0.0, 0.0, 0.0, 0.0, 181.012573242188, 5.90347480773926, 3.58496260643005, 3.0, 128.393676757812, 0.0, 91.0199966430664, 0.0, 76.0479736328125, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 4.8284273147583, 0.0, 0.0, 0.400000005960464, 2.91421365737915, 2.0, 0.0, 0.0, 0.0, 0.0, 1.70710682868958, 0.0, 0.0, 3.96540641784668, 0.0, 0.95710676908493, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0981695801019669, 0.0, 0.0, 0.0, 0.0, -0.0503204874694347, 0.0, 0.25, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H11NO2%2Fc1-3-5-6%284-2%297%288%299%2Fh5H%2C3-4H2%2C1-2H3%2Fb6-5-, 0.0, 1.08925569057465 1.08925569057465, 0.0, -0.00744068343192339, 2.0, 0.0, 0.0, 1.20710682868958 1.20710682868958, 0.0, -0.0075646466575563, 0.0, 0.0, 0.804737865924835 0.804737865924835, -0.00805394724011421, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 34.0, 63.0, 0.27824130654335 0.27824130654335, 0.0, 0.5, 0.0, 0.0, 0.297906488180161 0.297906488180161, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.158441662788391 0.158441662788391, 0.0, 4.83950614929199, 0.0, 0.0, 0.0, 0.0, 3.55555558204651, 0.0, 0.0, 0.0, 0.0, 0.0, 5.75527381896973, 0.0, 3.05344557762146, 0.0, , 0.0, 0.12855489552021, 0.0, 1.71437311172485, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0364955663681, 0.0, 0.0152145158499479, 0.0, 0.583597242832184, 2.0, 0.0, 0.0, 0.218873172998428, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 45.8199996948242, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.9089260101318, 0.0, 0.0, 9.27311706542969, 0.0, 0.0, 96.0, 0.200000002980232, 325.473388671875, 1.0, 0.0, 10.7710237503052, 2.80396580696106, 321.606689453125, 0.0, 0.0, 10.660737991333, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 337.726470947266, 8.494553565979, 4.16992521286011, 9.0, 301.876861572266, 0.0, 289.029998779297, 0.0, 191.92448425293, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 2.0, 0.0, 7.27602100372314, 0.0, 0.0, 0.400000005960464, 4.21874380111694, 1.0, 0.0, 0.0, 0.5, 0.0, 3.20102000236511, 0.0, 0.0, 1.65096366405487, 0.0, 2.12665247917175, 0.16666667163372, 2.38110160827637, 0.0, 0.0, 1.37965285778046, 0.0, 0.0, 0.0521444082260132, 0.0, 0.0, 0.0, 2.0, -0.00174343504477292, 0.0, 0.537457466125488, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H10N2O%2Fc1-3-5-6%287%294-2%2Fh3-4H2%2C1-2H3, 0.0, , , -0.0475463382899761, 2.0, 0.0, 0.0, , , -0.00930121541023254, 0.0, 0.0, , 0.00557402987033129, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 24.0, 45.0, , 0.0, 0.0, 0.0, , , , 0.0, 0.0, 7.0, , 0.0, , 0.0, 4.16666650772095, , 0.0, 0.0, , 3.83999991416931, , , 0.0, 0.0, , , , , , , 0.0, , 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, , 0.0, , 2.0, , 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 41.1100006103516, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.49444484710693, 0.0, 0.0, 7.24582433700562, 0.0, 0.0, 50.0, 0.200000002980232, , 0.0, 0.0, 7.55029916763306, 2.0, , 0.0, 0.0, 5.99655437469482, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.33209204673767, 3.80735492706299, 5.0, , 0.0, 214.029998779297, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.400000005960464, , 0.0, 0.0, 0.0, , 1.0, , 0.0, , 0.333333343267441, 0.0, , , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.108364142477512, , 0.0, 0.0, 1.0, -0.00391881726682186, 0.0, , 0.0, 0.0, 0.0
InChI%3D1S%2FC13H12Cl2N2%2Fc14-10-6-8%281-3-12%2810%2916%295-9-2-4-13%2817%2911%2815%297-9%2Fh1-4%2C6-7H%2C5%2C16-17H2, 0.0, 2.9750542640686 2.9750542640686, 2.09337735176086, -0.0717990025877953, 1.0, 0.0, 2.0, 3.38035488128662 3.38035488128662, 1.29687428474426, 0.0299100000411272, 0.0, 0.0, 4.61595249176025 4.61595249176025, 0.000234583916608244, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 86.0, 274.0, 1.29484522342682 1.29484522342682, 0.0, 0.0, 0.0, 0.0, 1.36088800430298 1.36088800430298, 0.0, 0.0, 0.0, 13.4320983886719, 0.0, 0.0, 1.53873026371002 1.53873026371002, 0.0, 5.76000022888184, 0.0, 0.0, 0.0, 0.0, 3.48444437980652, 0.136082768440247, 0.0, 0.0, 0.0, 0.368390560150146, 10.593695640564, 0.0481125228106976, 5.89441823959351, 0.116352938115597, , 4.50854015350342, 0.729695737361908, 2.0, 4.70290756225586, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.19262623786926, 0.0, 0.109108947217464, 0.0, 2.00318169593811, 0.0, 0.0, 0.0, 1.32037937641144, 0.0, 0.0, 0.0, 0.0, 0.750921726226807, 0.0, 52.0400009155273, 0.100000001490116, 0.380648612976074, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 33.1454849243164, 2.0, 0.0, 22.2358455657959, 0.0, 0.0, 552.0, 0.0, 1203.39184570312, 0.0, 0.0, 33.4716911315918, 0.0, 1366.18395996094, 0.0, 0.0, 37.3562355041504, 0.0, 0.0, 0.0, 0.0, 0.0, 1817.27648925781, 24.1393203735352, 5.08746290206909, 24.0, 1670.65222167969, 0.0, 628.039978027344, 0.0, 1161.79333496094, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.0, 0.0, 12.4138488769531, 0.0, 0.0, 0.5, 8.05855083465576, 0.0, 0.0, 0.0, 1.35105729103088, 0.0, 7.5029935836792, 0.0, 0.0, 7.25204372406006, 0.0, 6.08022594451904, 0.333333343267441, 15.8385400772095, 0.0, 0.0, 4.21766519546509, 6.0, 0.0, 0.147420629858971, 0.0, 0.0, 0.0, 0.0, -0.0306225959211588, 0.0, 3.41826200485229, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H, 0.0, 0.0 0.0, 0.0, 0.00557419145479798, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.0, 20.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 3.20000004768372, 0.0, 0.0, 0.0 0.0, 0.0, 1.44000005722046, 0.176776692271233, 0.0, 0.0, 0.0, 0.639999985694885, 0.0, 0.0453609228134155, 0.0, 0.0, 0.0, 2.71764945983887, 0.0, 1.47140455245972, 0.0, , 0.0, 0.0, 0.0, 0.793148458003998, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.425380796194077, 0.0, 0.0, 0.0, 0.226804599165916, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 13.1400003433228, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.77446889877319, 0.0, 0.0, 5.66418409347534, 0.0, 0.0, 15.0, 0.0, 137.612670898438, 0.0, 0.0, 5.66418409347534, 0.0, 137.431030273438, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 137.139846801758, 0.0, 3.32192802429199, 0.0, 0.0, 0.0, 61.0099983215332, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 3.5355339050293, 0.0, 0.0, 0.0, 2.5, 0.0, 0.0, 0.0, 0.0, 0.0, 1.76776695251465, 0.0, 0.0, 4.24264049530029, 0.0, 1.25, 0.0, 0.0, 0.0, 0.0, 0.883883476257324, 4.0, 0.0, 0.168022021651268, 0.0, 0.0, 1.0, 0.0, -0.0895852074027061, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FBrHO3.K%2Fc2-1%283%294%3B%2Fh%28H%2C2%2C3%2C4%29%3B%2Fq%3B%2B1%2Fp-1, 0.0, 0.0 0.0, 0.0, 0.0483339503407478, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 12.0, 1705032704.0, 0.0 0.0, 0.0, 1.5, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 8.88888931274414, 0.0, 0.0, 0.0 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.78045749664307, 0.0, 1.60356748104095, 0.0, , 0.0, 0.0, 0.0, 0.327326834201813, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 57.2000007629395, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 60.1783409118652, 0.0, 0.0, 26.5859260559082, 0.0, 0.0, 4000000000.0, 0.0, 88.1253967285156, 0.0, 0.0, 5.32340717315674, 0.0, 69.4881134033203, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 62.2679405212402, 0.0, 3.32192802429199, 0.0, 0.0, 0.0, 11.0500001907349, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.5773503780365, 0.0, 0.0, 0.999000012874603, 1.73205077648163, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 1.73205077648163, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.193335801362991, 0.0, 0.0, 0.0, 2.0, -0.145001843571663, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FHNO2.Na%2Fc2-1-3%3B%2Fh%28H%2C2%2C3%29%3B%2Fq%3B%2B1%2Fp-1, 0.0, 0.0 0.0, 0.0, 0.0103751393035054, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 6.0, -294967296.0, 0.0 0.0, 0.0, 0.5, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.0 0.0, 0.0, 12.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.855461895465851, 0.0, 0.182574182748795, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 52.4900016784668, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.57271099090576, 0.0, 0.0, 3.10693192481995, 0.0, 0.0, 3000000000.0, 0.0, 11.6611757278442, 0.0, 0.0, 1.77446901798248, 0.0, 8.06888389587402, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.50552797317505, 0.0, 3.0, 0.0, 0.0, 0.0, 8.03999996185303, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.70710682868958, 0.0, 0.0, 0.999000012874603, 1.41421353816986, 0.0, 0.0, 0.0, 0.0, 1.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0622508339583874, 0.0, 0.0, 0.0, 1.0, -0.0415005572140217, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC2HCl3%2Fc3-1-2%284%295%2Fh1H, 0.0, 0.40824830532074 0.40824830532074, 0.0, -0.0436616763472557, 0.0, 0.0, 3.0, 0.0 0.0, 0.0, 0.0267658121883869, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 16.0, 19.0, 0.420848786830902 0.420848786830902, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.25, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.47903060913086, 0.0, 2.07722210884094, 0.0, , 0.0, 0.371153742074966, 0.0, 1.62483763694763, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.742307484149933, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 28.1382598876953, 0.0, 0.0, 9.85521221160889, 0.0, 0.0, 18.0, 0.0, 250.480194091797, 1.0, 0.0, 17.5679664611816, 0.0, 224.30989074707, 0.0, 0.0, 17.4255065917969, 0.0, 0.0, 0.0, 0.0, 0.0, 188.053802490234, 0.0, 3.32192802429199, 2.0, 72.2740325927734, 0.0, 5.03000020980835, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.28445720672607, 0.0, 0.0, 0.333333343267441, 2.27005553245544, 1.0, 0.0, 0.0, 0.40824830532074, 0.0, 1.80209517478943, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0976628810167313, 0.0, 0.0, 0.0, 0.0, -0.0319355763494968, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H9N3O2%2Fc1-2-3-7%286-9%294%285%298%2Fh2-3H2%2C1H3%2C%28H2%2C5%2C8%29, , 1.08925569057465 1.08925569057465, 0.0, 0.0917201563715935, 2.0, 0.0, 0.0, 1.20710682868958 1.20710682868958, 0.0, -0.083023726940155, , 0.0, 0.804737865924835 0.804737865924835, 0.0258188657462597, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 34.0, 63.0, 0.203561648726463 0.203561648726463, 0.0, 0.25, 0.0, 0.0, 0.179245501756668 0.179245501756668, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.110408402979374 0.110408402979374, 0.0, 4.83950614929199, 0.0, 0.0, 0.0, 0.0, 3.55555558204651, 0.0, 0.0, 1.0, 0.0, 0.0, 5.16410255432129, 0.0, 2.60312223434448, 0.0, , 0.0, 0.120710678398609, 0.0, 1.52839851379395, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.778459012508392, 0.0, 0.0158113874495029, , 0.397199749946594, 1.0, 0.0, 0.0, 0.146726533770561, , , , 0.0, 0.0, 0.0, 76.75, 0.0, 0.0, , 0.333333343267441, 0.0, 0.0, , 0.5, 11.6289024353027, 0.0, 0.0, 9.74410152435303, 0.0, , 96.0, 0.0, 293.121551513672, 1.0, 0.0, 11.5189418792725, 1.41421353816986, 292.02001953125, 0.0, 0.0, 11.4082860946655, 0.0, 0.0, 0.0, , 0.25, 312.041687011719, 9.32448959350586, 4.16992521286011, 9.0, 269.118988037109, 0.0, 217.050003051758, 0.0, 170.500854492188, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, , , 2.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 7.27602100372314, , , 0.400000005960464, 4.21874380111694, 0.0, 0.0, 0.0, 0.5, 1.0, 3.20102000236511, 0.0, 0.0, 1.0, , 2.12665247917175, 0.16666667163372, 0.816496610641479, 0.0, 0.0, 1.37965285778046, 0.0, 0.0, 0.157817736268044, 0.0, 0.0, 0.0, 1.0, -0.112797528505325, 1.0, 0.537457466125488, 0.0, 0.0, 0.0
InChI%3D1S%2F3C2H7O3P.Al.3H%2Fc3%2A1-2-5-6%283%294%3B%3B%3B%3B%2Fh3%2A6H%2C2H2%2C1H3%2C%28H%2C3%2C4%29%3B%3B%3B%3B%2Fq%3B%3B%3B%2B3%3B%3B%3B%2Fp-3, 0.0, 0.866025388240814 0.866025388240814, 0.0, 0.716541826725006, 3.0, 3.0, 0.0, 0.866025388240814 0.866025388240814, 0.0, -0.148538380861282, 0.0, 0.0, 0.0 0.0, -0.0467128753662109, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 60.0, -64771104.0, 0.0 0.0, 0.0, 8.23920402126532e-07, 0.0, 0.0, 0.0 0.0, 0.0, 1.42866092573968e-05, 0.0, 27.3600006103516, 0.0, 0.0, 0.0 0.0, 0.0, 23.1200008392334, 0.0, 0.0, 0.0, 0.0, 56.8888893127441, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0708103179932, 0.0, 6.66158056259155, 0.0, , 0.0, 0.0, 0.0, 2.91506361961365, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.82936823368073, 0.0, 0.0, 0.0, 0.530330061912537, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 218.490005493164, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 46.9680099487305, 0.0, 0.0, 37.9135398864746, 3.00000002617651e-09, 0.0, 125999996928.0, 3.00000002617651e-09, 210.580642700195, 0.0, 0.0, 27.7030162811279, 9.0000003183377e-06, 182.254898071289, 0.0, 0.0, 15.7290706634521, 0.0, 0.0, 0.0, 0.0, 0.0, 145.600799560547, 7.99255180358887, 5.24792766571045, 9.0, 94.2711715698242, 0.0, 747.130004882812, 0.0, 48.7713584899902, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.9746913909912, 0.0, 0.0, 0.999000012874603, 8.31016635894775, 0.0, 0.0, 0.0, 1.22474491596222, 0.0, 6.54756593704224, 0.0, 0.0, 3.00000002617651e-09, 0.0, 2.5980761051178, 0.0, 0.0, 0.0, 0.0, 1.73205077648163, 0.0, 0.0, 1.40362870693207, 0.0, 0.0, 0.0, 3.0, -1.22310495376587, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H7Cl2O4P%2Fc1-8-11%287%2C9-2%2910-3-4%285%296%2Fh3H%2C1-2H3, 0.0, 2.12078189849854 2.12078189849854, 0.40824830532074, 0.545852959156036, 0.0, 3.0, 2.0, 1.92951393127441 1.92951393127441, 0.0, -0.253500878810883, 0.0, 0.0, 1.3216780424118 1.3216780424118, -0.153742998838425, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 46.0, 94.0, 0.504617691040039 0.504617691040039, 0.0, 0.0, 0.0, 0.0, 0.386088639497757 0.386088639497757, 0.0, 1.5, 0.0, 11.0, 0.0, 0.0, 0.272350877523422 0.272350877523422, 0.0, 4.79289960861206, 0.0, 0.0, 1.0, 0.0, 4.44444465637207, 0.0, 0.0, 0.0, 0.0, 0.0, 7.6492862701416, 0.0, 3.57076072692871, 0.0, , 0.0, 0.553819298744202, 0.0, 2.79270768165588, 0.0, 0.0, 0.0, 0.0186432246118784, 0.0, 0.0, 1.21125984191895, 0.0, 0.0, 0.0, 0.517270445823669, 2.0, 0.0, 0.0, 0.284269422292709, 0.0, 0.0, 0.0, 0.0, 0.146458253264427, 0.0, 54.5699996948242, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 35.1737976074219, 0.0, 0.0, 24.6407566070557, 1.5, 0.0, 168.0, 0.25, 341.682891845703, 1.0, 0.0, 34.3316535949707, 0.5, 340.519897460938, 0.0, 0.0, 22.4316387176514, 0.0, 0.0, 0.0, 0.0, 0.400000005960464, 375.244720458984, 22.2203903198242, 4.45943164825439, 12.0, 310.168304443359, 0.0, 179.070007324219, 0.0, 243.106704711914, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.90577697753906, 0.0, 0.0, 0.5, 5.03782272338867, 1.0, 0.0, 0.0, 1.33502495288849, 0.0, 4.45028877258301, 0.0, 0.176776692271233, 0.0, 0.0, 3.03234791755676, 0.0, 1.0, 0.0, 0.0, 1.24069023132324, 0.0, 0.0, 0.62253075838089, 0.0, 0.0, 0.0, 1.0, -0.606948912143707, 0.0, 0.901047587394714, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H27O4P%2Fc1-4-7-10-14-17%2813%2C15-11-8-5-2%2916-12-9-6-3%2Fh4-12H2%2C1-3H3, 0.0, 1.43566012382507 1.43566012382507, 1.46783006191254, 0.583196222782135, 9.0, 3.0, 0.0, 2.03033018112183 2.03033018112183, 0.640165030956268, -0.310027956962585, 0.0, 0.0, 1.88832521438599 1.88832521438599, -0.000262431451119483, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 68.0, 236.0, 0.290619105100632 0.290619105100632, 0.0, 0.0, 0.0, 0.0, 0.3820461332798 0.3820461332798, 0.0, 1.5, 0.0, 17.0, 0.0, 0.0, 0.367020457983017 0.367020457983017, 0.0, 11.1111106872559, 0.0, 0.0, 1.0, 0.0, 9.67901229858398, 0.0, 0.0, 0.0, 0.0, 0.0, 11.6681098937988, 0.0, 7.08333921432495, 0.0, , 0.0, 0.182665541768074, 0.0, 4.42542695999146, 0.0, 0.0, 0.0, 0.0186432246118784, 0.0, 0.0, 2.61653876304626, 0.0, 0.0, 0.0, 1.3947879076004, 3.0, 0.0, 0.0, 0.883842825889587, 0.0, 0.0, 0.0, 0.0, 0.607617795467377, 0.0, 54.5699996948242, 0.0, 0.286433756351471, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 25.7482891082764, 0.0, 0.0, 26.7372817993164, 1.5, 0.0, 616.0, 0.300000011920929, 580.131408691406, 0.0, 0.0, 28.3796081542969, 5.55088710784912, 571.311096191406, 0.0, 0.0, 26.721622467041, 0.0, 0.0, 0.0, 0.0, 0.0, 599.830810546875, 26.721622467041, 5.08746290206909, 18.0, 601.969177246094, 0.0, 1577.05004882812, 0.0, 609.612976074219, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 12.9852809906006, 0.0, 0.0, 0.5, 8.18198013305664, 0.0, 0.0, 0.0, 0.926776707172394, 0.0, 6.1819806098938, 0.0, 0.176776692271233, 8.99300861358643, 0.0, 4.15165042877197, 0.0, 0.0, 0.0, 0.0, 2.78033018112183, 0.0, 0.0, 0.550389409065247, 0.0, 0.0, 0.0, 1.0, -0.579319775104523, 0.0, 1.81066012382507, 0.0, 0.0, 0.0
InChI%3D1S%2FC5H9NO%2Fc7-6-5-3-1-2-4-5%2Fh7H%2C1-4H2, 0.0, 0.492799282073975 0.492799282073975, 0.20412415266037, -0.00998873449862003, 4.0, 0.0, 0.0, 0.594861328601837 0.594861328601837, 0.0, -0.00680893799290061, 0.0, 0.0, 0.20412415266037 0.20412415266037, -0.000807843811344355, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 30.0, 44.0, 0.208113878965378 0.208113878965378, 0.0, 0.0, 0.0, 0.0, 0.238415777683258 0.238415777683258, 0.0, 0.0, 0.0, 5.14285707473755, 0.0, 0.0, 0.0500000007450581 0.0500000007450581, 0.0, 2.34375, 0.144337564706802, 0.0, 0.0, 0.0, 1.1851851940155, 0.102062076330185, 0.125, 1.0, 0.0, 0.102062076330185, 4.22285413742065, 0.0559016987681389, 2.63071346282959, 0.025000000372529, , 0.0, 0.111803397536278, 0.0, 1.87333452701569, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.32213497161865, 0.0, 0.0, 0.0, 0.883113861083984, 0.0, 0.0, 0.0, 0.182514071464539, 0.0, 0.0, 0.0, 0.0, 0.0500000007450581, 0.0, 32.5900001525879, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.13445663452148, 0.0, 0.0, 7.719651222229, 0.0, 0.0, 43.0, 0.0, 275.244934082031, 1.0, 0.0, 8.66446208953857, 0.0, 290.658325195312, 0.0, 0.0, 4.99655437469482, 0.0, 0.0, 0.0, 0.0, 0.0, 332.517974853516, 2.66418385505676, 3.80735492706299, 4.0, 123.924812316895, 0.0, 214.020004272461, 0.0, 50.3468284606934, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 4.0, 0.0, 5.11288404464722, 0.0, 0.0, 0.5, 3.4318516254425, 0.0, 0.0, 0.0, 0.20412415266037, 1.0, 2.55873084068298, 0.0, 0.0, 4.24264049530029, 0.0, 2.05209517478943, 0.0, 2.82842707633972, 0.0, 0.0, 1.41861128807068, 0.0, 0.0, 0.0232773516327143, 0.0, 0.0, 0.0, 0.0, 0.00596684031188488, 0.0, 0.492799282073975, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H16ClN3O7%2Fc10-1-2-13%2812-19%299%2818%2911-5-7%2816%296%2815%294%283-14%2920-8%285%2917%2Fh4-8%2C14-17H%2C1-3H2%2C%28H%2C11%2C18%29%2Ft4-%2C5%3F%2C6-%2C7-%2C8%3F%2Fm1%2Fs1, 0.0, 3.65507459640503 3.65507459640503, 1.90129578113556, -0.120017521083355, 3.0, 1.0, 1.0, 5.42832183837891 5.42832183837891, 1.19747889041901, 0.164539396762848, 0.0, 0.0, 7.41556262969971 7.41556262969971, -0.395425349473953, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 0.0, 94.0, 325.0, 1.07959830760956 1.07959830760956, 0.0, 2.74945116043091, 0.0, 0.0, 1.29679822921753 1.29679822921753, 0.0, 1.62648916244507, 0.0, 18.0499992370605, 0.0, 0.0, 1.42665159702301 1.42665159702301, 0.0, 8.44444465637207, 0.0, 0.0, 0.0, 0.0, 4.4963264465332, 0.0453609228134155, 0.0, 5.0, 0.0, 0.200232788920403, 11.0361700057983, 0.0261891391128302, 6.2334156036377, 0.0653670728206635, , 7.27411651611328, 0.53071403503418, 0.0, 4.42028713226318, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.9263744354248, 0.0, 0.0991452634334564, 0.0, 1.83934283256531, 0.0, 0.0, 0.0, 1.07265913486481, 0.0, 0.0, 0.0, 0.0, 0.500965774059296, 0.0, 155.410003662109, 0.0, 0.243076831102371, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 34.2140007019043, 0.0, 0.0, 25.8545761108398, 0.0, 0.0, 830.0, 0.0, 974.084228515625, 1.0, 0.0, 35.5663452148438, 0.0, 1103.50927734375, 0.0, 0.0, 43.9893760681152, 0.0, 0.0, 0.0, 0.0, 0.0, 1464.90405273438, 42.746940612793, 5.32192802429199, 32.0, 1562.07922363281, 0.0, 916.109985351562, 0.0, 1299.62817382812, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 1.41421353816986, 4.0, 0.0, 15.2840929031372, 0.0, 0.0, 0.454545468091965, 9.45512580871582, 0.0, 0.0, 0.0, 1.32572078704834, 2.0, 7.93339157104492, 5.0, 0.0, 0.721124768257141, 0.0, 6.81060647964478, 0.499979764223099, 4.38449954986572, 0.0, 0.0, 5.07336950302124, 0.0, 0.0, 0.822011291980743, 0.0, 0.0, 0.0, 1.0, -0.318532943725586, 1.0, 3.54913663864136, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3, , 2.49942326545715 2.49942326545715, 1.45856332778931, -0.0137828672304749, 0.0, , , 3.04623436927795 3.04623436927795, 0.481853455305099, -0.0253615994006395, , , 3.673011302948 3.673011302948, -0.0885291174054146, , 0.0, 1.0, , , , 62.0, 123.0, 0.642356038093567 0.642356038093567, , 1.44224953651428, , 0.0, 0.643627762794495 0.643627762794495, 0.0, 0.0, , 11.0769233703613, 0.0, , 0.635187149047852 0.635187149047852, 0.25, 4.48148155212402, 0.0, 0.0, , 0.0, 2.72108840942383, 0.0680413842201233, 0.0, , 0.0, 0.146608799695969, 6.75947093963623, 0.0240562614053488, 3.41554427146912, 0.0455728359520435, , 1.65096366405487, 0.357958495616913, 0.0, 2.48500919342041, 0.0, 0.0, , 0.0, , 0.0, 1.60023438930511, 0.0, 0.0604486875236034, , 0.908044517040253, 1.0, 0.0, , 0.545857548713684, , , , 0.0, 0.23871710896492, , 91.6399993896484, 0.0, 0.0595029816031456, , 0.0, 0.0, 0.0, , 0.0, 16.8178520202637, 1.0, , 15.5462341308594, 0.0, , 240.0, 0.0, 520.869018554688, 0.0, 0.0, 21.5420475006104, 1.14471423625946, 590.211669921875, 0.0, 0.0, 21.4876613616943, 0.0, , , , 1.5, 780.119567871094, 18.0132789611816, 4.70043992996216, 18.0, 712.9287109375, , 205.059997558594, 0.0, 442.694610595703, 3.0, , , 0.0, , 0.0, 0.0, , 0.0, , , 0.0, 0.0, , , 1.0, 0.0, , , 0.0, 0.0, , 0.0, 5.0, , 10.0080718994141, , , 0.5, 6.01974439620972, 0.0, 0.0, , 1.20511829853058, , 5.70230436325073, 0.0, 0.0, 1.65096366405487, , 4.09772968292236, 0.398974478244781, 5.85380077362061, , , 2.92551803588867, 3.0, , 0.133698925375938, 0.0, 0.0, , , 0.0242672506719828, , 2.08057975769043, , , 0.0
InChI%3D1S%2FC20H14O4%2Fc21-15-9-5-13%286-10-15%2920%2814-7-11-16%2822%2912-8-14%2918-4-2-1-3-17%2818%2919%2823%2924-20%2Fh1-12%2C21-22H, 0.0, 4.69902896881104 4.69902896881104, 5.15149354934692, 0.036850418895483, 0.0, 1.0, 0.0, 8.4784049987793 8.4784049987793, 3.75248956680298, -0.00970744155347347, 0.0, 0.0, 13.1987810134888 13.1987810134888, -0.0202386006712914, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 134.0, 394.0, 1.69828367233276 1.69828367233276, 0.0, 0.348119169473648, 0.0, 0.0, 2.65164566040039 2.65164566040039, 0.0, 0.721124768257141, 0.0, 17.4156379699707, 0.0, 0.0, 3.36120462417603 3.36120462417603, 0.0, 6.95749998092651, 0.0680413842201233, 0.0, 0.0, 0.0, 3.02140307426453, 0.492833852767944, 0.0255155190825462, 2.0, 0.0, 0.861536383628845, 12.6391267776489, 0.148728296160698, 7.52967071533203, 0.193665519356728, , 6.37087631225586, 0.717335224151611, 0.0, 5.71003770828247, 0.0, 3.86431336402893, 0.0, 0.0255155190825462, 0.0, 0.0, 4.31972551345825, 0.0, 0.190074488520622, 0.0, 3.20492029190063, 0.0, 0.0243760403245687, 0.0, 2.32557106018066, 0.0, 0.0, 0.0, 0.0, 1.33225119113922, 0.0, 66.7600021362305, 0.0, 0.825172066688538, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 27.0978755950928, 5.0, 0.0, 28.6604595184326, 0.0, 0.0, 1164.0, 0.0, 1788.55285644531, 1.0, 0.0, 43.763298034668, 0.0, 2205.14819335938, 1.0, 0.0, 48.317195892334, 0.0, 0.0, 0.0, 0.0, 0.0, 3354.70263671875, 47.9851036071777, 5.58496236801147, 44.0, 3632.486328125, 0.0, 1129.0400390625, 0.0, 3387.58374023438, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.0, 0.0, 16.7338409423828, 0.0, 0.0, 0.5, 11.6090278625488, 0.0, 0.0, 0.0, 1.80543994903564, 0.0, 10.7621765136719, 0.0, 0.0680413842201233, 17.0366878509521, 0.0, 9.46805286407471, 0.611773610115051, 25.5196952819824, 0.0, 0.0, 8.2356071472168, 12.0, 0.0, 0.409369498491287, 0.0958191603422165, 4.62402105331421, 0.0, 1.0, -0.195186823606491, 0.0, 7.29465103149414, 0.0, 0.0, 0.0
InChI%3D1S%2FC34H28N6O16S4.4Na%2Fc1-55-25-9-15%283-5-23%2825%2937-39-31-27%2859%2849%2C50%2951%2911-17-7-19%2857%2843%2C44%2945%2913-21%2835%2929%2817%2933%2831%2941%2916-4-6-24%2826%2810-16%2956-2%2938-40-32-28%2860%2852%2C53%2954%2912-18-8-20%2858%2846%2C47%2948%2914-22%2836%2930%2818%2934%2832%2942%3B%3B%3B%3B%2Fh3-14%2C41-42H%2C35-36H2%2C1-2H3%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29%28H%2C49%2C50%2C51%29%28H%2C52%2C53%2C54%29%3B%3B%3B%3B%2Fq%3B4%2A%2B1%2Fp-4%2Fb39-37%2B%2C40-38%2B%3B%3B%3B%3B, 0.0, 14.3786478042603 14.3786478042603, 11.3822622299194, -0.171561747789383, 0.0, 2.0, 0.0, 21.7000999450684 21.7000999450684, 9.72194004058838, -0.190259233117104, 0.0, 0.0, 32.5541152954102 32.5541152954102, -0.0172299761325121, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 334.0, 1150980992.0, 3.99824857711792 3.99824857711792, 0.0, 8.25507259368896, 4.0, 0.0, 4.93139553070068 4.93139553070068, 0.0, 2.41305565834045, 0.0, 60.1221313476562, 0.0, 0.0, 5.82998991012573 5.82998991012573, 0.0, 23.2768173217773, 0.0, 0.0, 0.0, 0.0, 13.4575300216675, 0.33791571855545, 0.0, 2.0, 0.0, 0.897162735462189, 30.3171081542969, 0.125863581895828, 18.1284484863281, 0.256592214107513, , 0.0, 2.25802540779114, 2.0, 14.1303930282593, 0.0, 0.0, 0.0, 0.0646305605769157, 0.0, 0.0, 9.69353485107422, 4.0, 0.378804892301559, 0.0, 6.62524509429932, 2.0, 0.0186572354286909, 0.0, 4.65545701980591, 0.0, 0.0, 0.0, 0.0, 2.9073657989502, 0.0, 422.720001220703, 0.0476190485060215, 1.86477613449097, 0.0, 0.868474066257477, 0.0, 0.0, 0.0, 0.0, 113.717582702637, 6.0, 0.0, 106.065574645996, 0.142857149243355, 0.0, 246000025600.0, 0.111111111938953, 5005.8623046875, 0.0, 0.0, 133.952713012695, 3.17064237594604, 6030.89794921875, 0.0, 0.0, 148.746276855469, 0.0, 0.0, 0.0, 0.0, 5.05966854095459, 9108.498046875, 164.513732910156, 7.0, 114.0, 10000.4033203125, 0.0, 3889.30004882812, 0.0, 9530.849609375, 16.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.29482793807983, 0.0, 0.0, 0.0, 26.0, 0.0, 44.2749290466309, 0.0, 0.0, 0.999000012874603, 27.8261032104492, 0.0, 0.0, 0.0, 8.67250442504883, 4.0, 29.3182983398438, 0.0, 1.15470051765442, 9.36526298522949, 0.0, 22.0939540863037, 2.47303819656372, 37.7282447814941, 0.0, 0.0, 18.5755004882812, 12.0, 0.0, 1.89115726947784, 0.524377405643463, 0.0, 0.0, 8.0, -0.640997052192688, 0.0, 15.7927083969116, 0.0, 0.0, 0.0
InChI%3D1S%2F2C6H11Br4O4P.Mg%2Fc2%2A7-1-5%289%293-13-15%2811%2C12%2914-4-6%2810%292-8%3B%2Fh2%2A5-6H%2C1-4H2%2C%28H%2C11%2C12%29%3B%2Fq%3B%3B%2B2%2Fp-2, 0.0, 4.38541078567505 4.38541078567505, 1.68130433559418, 0.736588716506958, 8.0, 4.0, 0.0, 3.82569861412048 3.82569861412048, 0.488641947507858, -0.193404421210289, 0.0, 0.0, 4.87846374511719 4.87846374511719, -0.176654696464539, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 128.0, 165425088.0, 5.50882911682129 5.50882911682129, 0.0, 4.76220293421648e-06, 0.0, 0.0, 2.55988359451294 2.55988359451294, 0.0, 0.000357770884875208, 0.0, 35.5867347717285, 0.0, 0.0, 1.97961258888245 1.97961258888245, 0.0, 19.4675922393799, 0.0, 0.0, 2.0, 0.0, 22.96875, 0.0, 0.0, 0.0, 0.0, 0.0, 27.4697456359863, 0.0, 16.1551704406738, 0.0, , 3.30192733599688e-06, 2.35911965370178, 0.0, 12.8889122009277, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.4273958206177, 0.0, 0.0, 0.0, 2.59814596176147, 0.0, 0.0, 0.0, 1.72635793685913, 0.0, 0.0, 0.0, 0.0, 0.889638662338257, 0.0, 136.800003051758, 0.0, 0.37856325507164, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 397.656311035156, 0.0, 0.0, 94.0317840576172, 4.76220293421648e-06, 0.0, 255000002560.0, 0.0, 1747.97387695312, 0.0, 0.0, 120.769462585449, 0.0, 1743.70043945312, 0.0, 0.0, 270.719787597656, 0.0, 0.0, 0.0, 0.0, 0.0, 1848.35168457031, 132.373092651367, 5.95419645309448, 32.0, 1534.88793945312, 0.0, 1374.18994140625, 0.0, 1266.28173828125, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 23.7946815490723, 8.0, 0.0, 0.999000012874603, 13.8180284500122, 0.0, 0.0, 0.0, 3.56891417503357, 0.0, 12.536808013916, 4.0, 0.5, 0.000110311659227591, 0.0, 8.04334831237793, 0.0, 0.000648845743853599, 0.0, 0.0, 3.6150438785553, 0.0, 0.0, 1.42318570613861, 0.0, 0.0, 0.0, 2.0, -1.14722573757172, 0.0, 3.3650438785553, 0.0, 0.0, 0.0
InChI%3D1S%2FC10Cl10O%2Fc11-2-1%2821%293%2812%296%2815%294%282%2C13%298%2817%295%282%2C14%297%283%2C16%299%286%2C18%2910%288%2C19%2920, 0.0, 18.0511207580566 18.0511207580566, 8.67335605621338, -0.149102911353111, 0.0, 0.0, 10.0, 39.6188278198242 39.6188278198242, 5.88321208953857, -0.709297060966492, 0.0, 0.0, 78.5701141357422 78.5701141357422, 0.187556475400925, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 164.0, 221.0, 20.1084079742432 20.1084079742432, 0.0, 0.0, 0.0, 0.0, 44.4492645263672 44.4492645263672, 0.0, 0.0, 0.0, 13.4399995803833, 0.125, 0.0, 89.2619247436523 89.2619247436523, 0.0, 2.22222232818604, 0.894337594509125, 0.0, 0.0, 0.125, 0.449999988079071, 3.57286286354065, 0.941946685314178, 0.0, 0.0, 10.947527885437, 16.7471828460693, 3.82886695861816, 9.37359142303467, 11.9094018936157, , 0.0, 4.87904167175293, 0.0, 12.0342350006104, 0.0, 4.44149208068848, 0.0, 0.72766101360321, 0.0, 0.0, 15.3058862686157, 0.0, 6.60338497161865, 0.0, 13.9175109863281, 0.0, 2.77818655967712, 0.0, 11.7746887207031, 0.0, 0.0, 0.0, 0.0, 8.83083152770996, 0.0, 17.0699996948242, 0.0, 5.95126962661743, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 98.9020080566406, 8.0, 0.0, 44.8494644165039, 0.0, 0.0, 604.0, 0.0, 3548.76123046875, 1.0, 0.0, 116.025581359863, 0.0, 5266.41943359375, 9.0, 0.0, 273.047332763672, 0.0, 0.0, 0.0, 0.0, 0.0, 10314.2861328125, 258.300506591797, 5.39231729507446, 72.0, 10821.19921875, 0.0, 205.110000610352, 0.0, 5272.8779296875, 0.0, 0.0, 0.0, 0.0, 0.0, 21.1966533660889, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, 16.0773506164551, 0.0, 0.0, 0.333333343267441, 9.15470027923584, 0.0, 0.0, 0.0, 4.49102544784546, 0.0, 11.5013885498047, 0.0, 0.644337594509125, 0.0, 0.0, 14.3867511749268, 5.66212558746338, 0.0, 0.0, 0.0, 13.2141017913818, 0.0, 0.0, 0.650667309761047, 2.2745189666748, 0.0, 0.0, 1.0, 0.113576859235764, 0.0, 11.3249454498291, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H6N2O4%2Fc1-5-6%288%2810%2911%293-2-4-7%285%299%2812%2913%2Fh2-4H%2C1H3, 0.0, 2.51677393913269 2.51677393913269, 1.08348917961121, -0.0128728020936251, 0.0, 0.0, 0.0, 3.77983808517456 3.77983808517456, 0.54997193813324, -0.023071276023984, 0.0, 0.0, 4.35032272338867 4.35032272338867, -0.0905917957425117, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 62.0, 119.0, 0.710035920143127 0.710035920143127, 0.0, 1.44224953651428, 0.0, 0.0, 0.826527535915375 0.826527535915375, 0.0, 0.0, 0.0, 11.0769233703613, 0.0, 0.0, 0.74670273065567 0.74670273065567, 0.25, 4.48148155212402, 0.0, 0.0, 0.0, 0.0, 2.47933888435364, 0.0680413842201233, 0.0, 0.0, 0.0, 0.146608799695969, 6.75947093963623, 0.0240562614053488, 3.42152738571167, 0.0455728359520435, , 2.38110160827637, 0.328635036945343, 0.0, 2.43548393249512, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.67000353336334, 0.0, 0.086066298186779, 0.0, 1.0071976184845, 1.0, 0.0, 0.0, 0.484665840864182, 0.0, 0.0, 0.0, 0.0, 0.183000296354294, 0.0, 91.6399993896484, 0.0, 0.07236647605896, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 16.8178520202637, 1.0, 0.0, 15.5462341308594, 0.0, 0.0, 234.0, 0.0, 529.473999023438, 0.0, 0.0, 21.5420475006104, 0.908560276031494, 603.23193359375, 0.0, 0.0, 22.6538467407227, 0.0, 0.0, 0.0, 0.0, 1.88988161087036, 803.134460449219, 20.6774616241455, 4.70043992996216, 19.0, 762.645141601562, 0.0, 205.059997558594, 0.0, 485.518005371094, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 10.0080718994141, 0.0, 0.0, 0.5, 6.03658103942871, 0.0, 0.0, 0.0, 1.13128232955933, 0.0, 5.60576343536377, 0.0, 0.0, 2.38110160827637, 0.0, 4.13821697235107, 0.429300367832184, 4.58575630187988, 0.0, 0.0, 3.31346035003662, 3.0, 0.0, 0.133275166153908, 0.0, 0.0, 0.0, 4.0, 0.0233734399080276, 0.0, 1.93341875076294, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H12N2O%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2, 0.0, 1.62954914569855 1.62954914569855, 1.65425360202789, -0.0190132036805153, 0.0, 1.0, 0.0, 1.96420383453369 1.96420383453369, 1.06531405448914, -0.00982477143406868, 0.0, 0.0, 2.76322031021118 2.76322031021118, -0.0827856585383415, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 74.0, 240.0, 0.447398453950882 0.447398453950882, 0.0, 0.0, 0.0, 0.0, 0.456324309110641 0.456324309110641, 0.0, 0.0, 0.0, 11.484375, 0.0, 0.0, 0.496450453996658 0.496450453996658, 0.0, 5.36507940292358, 0.0, 0.0, 0.0, 0.0, 3.5, 0.16666667163372, 0.0, 0.0, 0.0, 0.284517794847488, 8.1817512512207, 0.0555555559694767, 4.62833309173584, 0.054755475372076, , 1.53261888027191, 0.328532844781876, 2.0, 3.24013328552246, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.99590170383453, 0.0, 0.0, 0.0, 1.20782077312469, 0.0, 0.0, 0.0, 0.826755523681641, 0.0, 0.0, 0.0, 0.0, 0.312006711959839, 0.0, 61.2700004577637, 0.100000001490116, 0.158763229846954, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 16.4944458007812, 0.0, 0.0, 16.9965553283691, 0.0, 0.0, 404.0, 0.0, 824.628967285156, 0.0, 0.0, 22.9931087493896, 0.0, 916.785034179688, 0.0, 0.0, 19.9931087493896, 0.0, 0.0, 0.0, 0.0, 0.0, 1170.47814941406, 12.9965543746948, 4.90689039230347, 18.0, 1003.67889404297, 0.0, 574.030029296875, 0.0, 689.641540527344, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0, 0.0, 10.6733617782593, 0.0, 0.0, 0.5, 7.23718357086182, 0.0, 0.0, 0.0, 0.985598564147949, 0.0, 6.48749780654907, 0.0, 0.0, 8.69190216064453, 0.0, 4.93752384185791, 0.0, 12.3619976043701, 0.0, 0.0, 3.60103964805603, 8.0, 0.0, 0.213800460100174, 0.0, 0.0, 0.0, 0.0, -0.0819087252020836, 0.0, 3.21497464179993, 0.0, 0.0, 0.0
InChI%3D1S%2FC5H8N3O4%2Fc6-3%285%2810%2911%292-12-4%289%291-8-7%2Fh1%2C3%2C7H%2C2%2C6H2%2C%28H%2C10%2C11%29%2Ft3-%2Fm0%2Fs1, 0.0, 1.61535501480103 1.61535501480103, 0.543312013149261, -0.126777842640877, 1.0, 1.0, 0.0, 1.06253790855408 1.06253790855408, 0.227670907974243, 0.0293974168598652, 0.0, 0.0, 1.03317165374756 1.03317165374756, 0.161167532205582, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 48.0, 135.0, 0.284667879343033 0.284667879343033, 0.0, 0.721124768257141, 0.0, 0.0, 0.124127320945263 0.124127320945263, 0.0, 0.944940805435181, 0.0, 12.0, 0.0, 0.0, 0.0957304388284683 0.0957304388284683, 0.0, 6.50887584686279, 0.0, 0.0, 0.0, 0.0, 6.25, 0.0, 0.0, 1.0, 0.0, 0.0, 5.81822299957275, 0.0, 2.85183453559875, 0.0, , 1.31037068367004, 0.218668282032013, 1.0, 1.77889466285706, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.889014661312103, 0.0, 0.0215165745466948, 0.0, 0.302126467227936, 0.0, 0.0, 0.0, 0.158151179552078, 0.0, 0.0, 0.0, 0.0, 0.0717831179499626, 0.0, 89.620002746582, 0.142857149243355, 0.0145517019554973, 0.0, 0.816496610641479, 0.0, 0.0, 0.0, 0.0, 16.1778411865234, 0.0, 0.0, 13.3528184890747, 0.0, 0.0, 235.0, 0.0, 371.437652587891, 2.0, 0.0, 16.8741397857666, 0.0, 379.907073974609, 0.0, 0.0, 16.2618827819824, 0.0, 0.0, 0.0, 0.0, 0.0, 420.469665527344, 12.3203325271606, 4.58496236801147, 12.0, 363.921905517578, 0.0, 192.070007324219, 0.0, 270.06591796875, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 9.56047821044922, 0.0, 0.0, 0.5, 5.57458591461182, 1.0, 0.0, 0.0, 0.857710719108582, 0.0, 4.69249773025513, 1.0, 0.0, 0.333333343267441, 0.0, 3.03435325622559, 0.235702261328697, 2.89047741889954, 0.0, 0.0, 1.51787972450256, 0.0, 0.0, 0.590498864650726, 0.0, 0.0, 0.0, 2.0, -0.238395124673843, 0.0, 0.868905186653137, 0.0, 0.0, 0.0
InChI%3D1S%2FC16H23NO6%2Fc1-9-13%2818%2923-11-5-7-17-6-4-10%2812%2811%2917%298-22-14%2819%2916%283%2C21%2915%289%2C2%2920%2Fh4%2C9%2C11-12%2C20-21H%2C5-8H2%2C1-3H3%2Ft9-%2C11%3F%2C12%2B%2C15%2B%2C16-%2Fm0%2Fs1, 0.0, 8.25269508361816 8.25269508361816, 3.45383548736572, -0.013576808385551, 4.0, 2.0, 0.0, 11.2403783798218 11.2403783798218, 2.65693283081055, -0.0446508452296257, 0.0, 0.0, 14.3357944488525 14.3357944488525, -0.0186759848147631, 0.0, 0.0, 0.600000023841858, 0.0, 0.0, 0.0, 130.0, 330.0, 3.62115693092346 3.62115693092346, 0.0, 1.48674774169922, 0.0, 0.0, 4.28412199020386 4.28412199020386, 0.0, 2.16654777526855, 0.0, 17.8111991882324, 0.0, 0.0, 4.32974195480347 4.32974195480347, 0.0, 6.06374979019165, 0.19245009124279, 0.0, 0.0, 0.0, 2.80612254142761, 0.383276641368866, 0.127240225672722, 2.0, 0.0, 0.594116032123566, 13.6124620437622, 0.225366085767746, 7.91417598724365, 0.301487296819687, , 5.68821859359741, 1.50612664222717, 0.0, 7.00038242340088, 0.0, 4.27395868301392, 0.0, 0.120451420545578, 0.0, 0.0, 5.6314845085144, 0.0, 0.706518411636353, 0.0, 3.52458190917969, 3.0, 0.188876554369926, 0.0, 2.02473974227905, 0.0, 0.0, 0.0, 0.0, 1.29426538944244, 0.0, 96.3000030517578, 0.0, 0.875118315219879, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 28.0068016052246, 3.0, 0.0, 28.1552925109863, 0.200000002980232, 0.0, 993.0, 0.908560276031494, 1618.41186523438, 3.0, 0.0, 46.530876159668, 2.3812210559845, 1959.95495605469, 2.0, 0.0, 55.6848983764648, 0.0, 0.0, 0.0, 0.0, 4.92707490921021, 2959.74145507812, 53.1272735595703, 5.52356195449829, 46.0, 3046.30200195312, 0.0, 1798.06994628906, 3.53277564048767, 2827.59301757812, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 3.0, 0.0, 16.9911994934082, 0.0, 0.0, 0.375, 10.6587209701538, 1.0, 0.0, 0.0, 2.87230467796326, 0.0, 10.9357242584229, 3.0, 0.288675129413605, 4.13085174560547, 0.0, 9.97908401489258, 2.18678307533264, 9.94646644592285, 0.0, 0.0, 6.97664308547974, 0.0, 0.0, 0.828177630901337, 0.807403862476349, 1.87071561813354, 0.0, 2.0, -0.375443369150162, 1.0, 4.65696096420288, 0.0, 0.0, 0.0
InChI%3D1S%2FC15H17N5O%2Fc1-2-21-9-8-12-13%2811-6-4-3-5-7-11%2919-15%2816%2920-14%2812%2917-10-18-20%2Fh3-7%2C10H%2C2%2C8-9H2%2C1H3%2C%28H2%2C16%2C19%29, 0.0, 2.72936582565308 2.72936582565308, 3.68484306335449, 0.113239862024784, 3.0, 1.0, 0.0, 4.92220067977905 4.92220067977905, 2.71211409568787, -0.0135761387646198, 0.0, 0.0, 7.37294006347656 7.37294006347656, -0.142531648278236, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 108.0, 344.0, 1.13735711574554 1.13735711574554, 0.0, 0.0, 0.0, 0.0, 1.73165678977966 1.73165678977966, 0.0, 0.0, 0.0, 15.8790168762207, 0.0, 0.0, 2.1566309928894 2.1566309928894, 0.0, 7.51300716400146, 0.117851130664349, 0.0, 0.0, 0.0, 3.50459718704224, 0.283505767583847, 0.0258198883384466, 0.0, 0.0, 0.469534516334534, 11.99001121521, 0.0785259827971458, 7.18996572494507, 0.106506302952766, , 5.45069169998169, 0.461046248674393, 0.0, 5.00343227386475, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.74816632270813, 0.0, 0.106220729649067, 0.0, 2.76006531715393, 1.0, 0.0, 0.0, 1.89435625076294, 0.0, 0.0, 0.0, 0.0, 1.12894260883331, 0.0, , 0.0, 0.68998509645462, 0.0, 1.04004192352295, 0.0, 0.0, 0.0, 0.5, 23.5744094848633, 2.0, 0.0, 25.3536548614502, 0.0, 0.0, 890.0, 0.0, 1385.388671875, 1.0, 0.0, 34.6274223327637, 1.62232732772827, 1636.57080078125, 0.0, 0.0, 35.0462913513184, 0.0, 0.0, 0.0, 0.0, 0.791184723377228, 2301.59375, 35.5445671081543, 5.39231729507446, 32.0, 2369.17456054688, 0.0, 1344.06005859375, 0.0, 2169.79638671875, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 1.04004192352295, 0.0, 3.0, 1.88988161087036, 7.0, 0.0, 14.6564893722534, 0.0, 0.0, 0.5, 10.3088617324829, 0.0, 1.0, 0.0, 0.946699976921082, 0.0, 8.69318008422852, 2.0, 0.0, 9.47962951660156, 0.0, 7.49593687057495, 0.330933094024658, 13.6788063049316, 3.0, 0.0, 6.51443958282471, 6.0, 1.0, 0.394490599632263, 0.0, 0.0, 0.0, 0.0, -0.27109369635582, 0.0, 5.20581722259521, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H11N3O3%2Fc1-3-9%288-12%296%2811%297-4-5%282%2910%2Fh3-4H2%2C1-2H3%2C%28H%2C7%2C11%29, , 1.40652620792389 1.40652620792389, 0.40824830532074, 0.0662395134568214, 2.0, 0.0, 0.0, 1.65096294879913 1.65096294879913, 0.272165536880493, -0.0458924546837807, , 0.0, 1.36094164848328 1.36094164848328, -0.0348978824913502, , 0.0, 0.75, 0.0, 0.0, 0.0, 48.0, 120.0, 0.310619026422501 0.310619026422501, 0.0, 0.577757060527802, 0.0, 0.0, 0.264670431613922 0.264670431613922, 0.0, 0.0, 0.0, 12.0, 0.0, 0.0, 0.170104831457138 0.170104831457138, 0.0, 6.50887584686279, 0.0, 0.0, 0.0, 0.0, 5.32544374465942, 0.0, 0.0, 1.0, 0.0, 0.0, 7.01956462860107, 0.0, 3.45063447952271, 0.0, , 0.333333343267441, 0.2597696185112, 0.0, 2.11565542221069, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.07210111618042, 0.0, 0.0141421351581812, , 0.49933648109436, 2.0, 0.0, 0.0, 0.203299522399902, 0.0, 0.0, , 0.0, 0.0889275372028351, 0.0, 82.3300018310547, 0.0, 0.0442964099347591, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 15.4033708572388, 0.0, 0.0, 13.2423791885376, 0.0, , 224.0, 0.142857149243355, 429.593597412109, 2.0, 0.0, 16.3493118286133, 1.43721640110016, 439.587432861328, 0.0, 0.0, 16.4600296020508, 0.0, 0.0, 0.0, 0.0, 1.3731781244278, 496.641296386719, 14.1548585891724, 4.58496236801147, 13.0, 456.203704833984, 0.0, 352.059997558594, 0.0, 352.3583984375, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, , 0.0, 0.333333343267441, 1.0, 0.0, 1.41421353816986, 0.0, 0.0, 9.56047821044922, 0.0, , 0.428571432828903, 5.61259078979492, 0.0, 0.0, 0.0, 0.810617208480835, 2.0, 4.52505731582642, 0.0, 0.0, 0.25, 0.0, 3.05285143852234, 0.117851130664349, 1.89148318767548, 0.0, 0.0, 1.92534029483795, 0.0, 0.0, 0.348159313201904, 0.0, 0.0, 0.0, 2.0, -0.188544556498528, 1.0, 0.897568464279175, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2%2Ft3-%2C4%2B%2C5%2B%2C6-, 0.0, 2.47916269302368 2.47916269302368, 0.268245965242386, -0.243061184883118, 2.0, 0.0, 0.0, 2.86081576347351 2.86081576347351, 0.0555555559694767, 0.00106764759402722, 0.0, 0.0, 3.16954231262207 3.16954231262207, 0.00247908150777221, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 50.0, 114.0, 1.00509333610535 1.00509333610535, 0.0, 1.66881787776947, 0.0, 0.0, 1.10625565052032 1.10625565052032, 0.0, 0.0, 0.0, 12.0, 0.0, 0.0, 1.08679091930389 1.08679091930389, 0.0, 5.61224508285522, 0.0, 0.0, 0.0, 0.0, 3.515625, 0.0, 0.0, 4.0, 0.0, 0.0, 9.44039058685303, 0.0, 5.6267523765564, 0.0, , 3.96540641784668, 0.382951110601425, 0.0, 3.71944761276245, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.78131771087646, 0.0, 0.0766553282737732, 0.0, 1.40377366542816, 0.0, 0.0, 0.0, 0.695703029632568, 0.0, 0.0, 0.0, 0.0, 0.35623100399971, 0.0, 80.9199981689453, 0.0, 0.214285716414452, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 101.614059448242, 0.0, 0.0, 23.6337184906006, 0.0, 0.0, 206.0, 0.0, 681.130615234375, 0.0, 0.0, 27.9620876312256, 0.0, 706.594787597656, 0.0, 0.0, 47.3452606201172, 0.0, 0.0, 0.0, 0.0, 0.0, 827.613708496094, 41.906608581543, 4.58496236801147, 16.0, 817.472778320312, 0.0, 397.059997558594, 0.0, 606.471252441406, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 9.72361469268799, 2.0, 0.0, 0.428571432828903, 5.54011106491089, 0.0, 0.0, 0.0, 0.856304705142975, 0.0, 4.48929786682129, 4.0, 0.0, 0.200000002980232, 0.0, 3.91238260269165, 0.383276641368866, 3.61440801620483, 0.0, 0.0, 1.7799928188324, 0.0, 0.0, 0.443036794662476, 0.0, 0.0, 0.0, 0.0, -0.026647724211216, 0.0, 0.753101885318756, 0.0, 0.0, 0.0
InChI%3D1S%2FC34H59NO15%2Fc1-5-6-9-20%283%2932%2850-31%2844%2917-23%2834%2847%2948%2915-29%2841%2942%2927%2849-30%2843%2916-22%2833%2845%2946%2914-28%2839%2940%2913-19%282%2912-24%2836%2910-7-8-11-25%2837%2918-26%2838%2921%284%2935%2Fh19-27%2C32%2C36-38H%2C5-18%2C35H2%2C1-4H3%2C%28H%2C39%2C40%29%28H%2C41%2C42%29%28H%2C45%2C46%29%28H%2C47%2C48%29%2Ft19-%2C20%2B%2C21%2B%2C22%2B%2C23%2B%2C24%2B%2C25-%2C26%2B%2C27-%2C32-%2Fm1%2Fs1, 0.0, 6.76315259933472 6.76315259933472, 4.33341693878174, 0.217532187700272, 14.0, 2.0, 0.0, 8.44970035552979 8.44970035552979, 2.8762583732605, 0.176066890358925, 0.0, 0.0, 12.2703666687012 12.2703666687012, -1.26083564758301, 0.0, 0.0, 0.909090936183929, 0.0, 0.0, 0.0, 226.0, 1620.0, 2.86808753013611 2.86808753013611, 0.0, 7.88361215591431, 0.0, 0.0, 3.33178734779358 3.33178734779358, 0.0, 3.92770051956177, 0.0, 50.0, 0.0, 0.0, 3.65672850608826 3.65672850608826, 0.0, 27.5625, 0.0, 0.0, 0.0, 0.0, 24.1229667663574, 0.0, 0.0, 7.0, 0.0, 0.0, 29.6468296051025, 0.0, 17.3447036743164, 0.0, , 18.2536315917969, 1.8962630033493, 1.0, 13.6074419021606, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.61160182952881, 0.0, 0.191798701882362, 0.0, 5.67879629135132, 4.0, 0.0, 0.0, 3.60171437263489, 0.0, 0.0, 0.0, 0.0, 2.13798570632935, 0.0, 288.510009765625, 0.0, 1.36850333213806, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 61.9770240783691, 4.0, 0.0, 54.8117485046387, 0.333333343267441, 0.0, 11054.0, 0.60151731967926, 2751.74194335938, 6.0, 0.0, 76.2852096557617, 7.78535652160645, 3028.30224609375, 0.0, 0.0, 78.1247863769531, 0.0, 0.0, 0.0, 0.0, 8.43891620635986, 3817.12817382812, 91.8885192871094, 6.64385604858398, 67.0, 4121.736328125, 0.0, 9214.16015625, 0.0, 4517.76220703125, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.0, 0.0, 38.5513114929199, 0.0, 0.0, 0.476190477609634, 23.26194190979, 0.0, 0.0, 0.0, 4.36735963821411, 0.0, 21.4922695159912, 10.0, 0.0, 14.2584552764893, 0.0, 13.6391639709473, 0.733301997184753, 35.7020988464355, 0.0, 0.0, 10.2030916213989, 0.0, 0.0, 1.58742237091064, 0.0, 0.0, 0.0, 6.0, -0.684777438640594, 0.0, 7.80283355712891, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H14N2O%2Fc10-8-9-6-4-2-1-3-5-7-9%2Fh1-7H2, , 0.492799282073975 0.492799282073975, 0.942031562328339, 0.0289620198309422, 7.0, 0.0, 0.0, 0.594861328601837 0.594861328601837, 0.654647946357727, -0.0211227033287287, , 0.0, 0.492799282073975 0.492799282073975, -0.00434265425428748, , 0.0, 0.5, 0.0, 0.0, 0.0, 42.0, 92.0, 0.182246178388596 0.182246178388596, 0.0, 0.0, 0.0, 0.0, 0.207735031843185 0.207735031843185, 0.0, 0.0, 0.0, 8.10000038146973, 0.0, 0.0, 0.182246178388596 0.182246178388596, 0.0, 4.76033067703247, 0.0, 0.0, 0.0, 0.0, 3.11111116409302, 0.0, 0.0, 0.0, 0.0, 0.0, 6.25242280960083, 0.0, 4.01502990722656, 0.0, , 0.0, 0.100000001490116, 0.0, 2.80307960510254, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.94792556762695, 0.0, 0.0, , 1.31241810321808, 0.0, 0.0, 0.0, 0.882076680660248, 0.0, 0.0, , 0.0, 0.591235756874084, 0.0, 32.6699981689453, 0.0, 0.39509528875351, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.4944448471069, 0.0, 0.0, 11.2458248138428, 0.0, , 121.0, 0.0, 463.296020507812, 0.0, 0.0, 12.218207359314, 0.0, 481.966888427734, 0.0, 0.0, 13.3289251327515, 0.0, 0.0, 0.0, 0.0, 0.0, 527.062805175781, 9.16273975372314, 4.32192802429199, 12.0, 549.447387695312, 0.0, 486.029998779297, 0.0, 335.505828857422, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 5.0, 0.0, 7.23420429229736, , , 0.333333343267441, 4.93185186386108, 0.0, 0.0, 0.0, 0.20412415266037, 1.0, 3.61939096450806, 0.0, 0.0, 10.324803352356, 0.0, 2.80209517478943, 0.0, 0.0, 0.0, 0.0, 1.94894134998322, 0.0, 0.0, 0.0583857260644436, 0.0, 0.0, 0.0, 1.0, -0.0322740711271763, 1.0, 1.35517168045044, 0.0, 0.0, 0.0
InChI%3D1S%2FC17H14O6%2Fc1-20-10-6-11-14%288-4-5-21-17%288%2922-11%2915-13%2810%297-2-3-9%2818%2912%287%2916%2819%2923-15%2Fh4-6%2C8-9%2C17-18H%2C2-3H2%2C1H3%2Ft8-%2C9%2B%2C17%3F%2Fm0%2Fs1, 0.0, 4.77183055877686 4.77183055877686, 6.33019351959229, 0.193024411797523, 2.0, 4.0, 0.0, 9.372727394104 9.372727394104, 5.1583833694458, -0.382458865642548, 0.0, 0.0, 13.8004693984985 13.8004693984985, 0.438549786806107, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 138.0, 371.0, 2.11540603637695 2.11540603637695, 0.0, 0.25, 0.0, 0.0, 3.43030333518982 3.43030333518982, 0.0, 1.44741547107697, 0.0, 15.2702331542969, 0.0, 0.0, 4.15882158279419 4.15882158279419, 0.0, 5.5, 0.29264360666275, 0.0, 0.0, 0.0, 2.08284020423889, 0.661460280418396, 0.175606653094292, 1.0, 0.0, 1.16455733776093, 12.5214710235596, 0.285692662000656, 7.82071352005005, 0.383012443780899, , 21.3672943115234, 0.832598268985748, 0.0, 6.4081506729126, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.33761167526245, 0.0, 0.213527247309685, 0.0, 4.31934928894043, 1.0, 0.0, 0.0, 2.87470984458923, 0.0, 0.0, 0.0, 0.0, 1.97122287750244, 0.0, 74.2200012207031, 0.0, 1.37053334712982, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 27.6468143463135, 5.0, 0.0, 30.3209190368652, 1.51622176170349, 0.0, 999.0, 0.0, 1653.98034667969, 1.0, 0.0, 47.8661346435547, 0.908832609653473, 2101.3134765625, 0.0, 0.0, 50.6418380737305, 0.0, 0.0, 0.0, 0.0, 2.4911732673645, 3316.82250976562, 53.1858177185059, 5.52356195449829, 44.0, 3350.23071289062, 0.0, 1343.06005859375, 0.0, 3083.298828125, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 7.0, 0.0, 15.7148141860962, 0.0, 0.0, 0.444444447755814, 11.1858720779419, 2.0, 0.0, 0.0, 1.71298611164093, 0.0, 10.5820302963257, 5.0, 0.0, 2.52726197242737, 0.0, 9.92727088928223, 0.563091933727264, 16.7302055358887, 0.0, 0.0, 9.53385257720947, 1.0, 0.0, 0.823289752006531, 0.0, 0.0, 0.0, 1.0, -0.432750761508942, 0.0, 7.65975141525269, 0.0, 0.0, 0.0
InChI%3D1S%2FC10H22N2O%2Fc1-3-5-7-9-12%2811-13%2910-8-6-4-2%2Fh3-10H2%2C1-2H3, , 0.492799282073975 0.492799282073975, 0.82887876033783, 0.0289573762565851, 8.0, 0.0, 0.0, 0.594861328601837 0.594861328601837, 0.450523793697357, -0.0211942940950394, , 0.0, 0.492799282073975 0.492799282073975, -0.00434269802644849, , 0.0, 1.0, 0.0, 0.0, 0.0, 48.0, 174.0, 0.182246178388596 0.182246178388596, 0.0, 0.0, 0.0, 0.0, 0.207735031843185 0.207735031843185, 0.0, 0.0, 0.0, 13.0, 0.0, 0.0, 0.182246178388596 0.182246178388596, 0.0, 10.0833330154419, 0.0, 0.0, 0.0, 0.0, 8.33333301544189, 0.0, 0.0, 0.0, 0.0, 0.0, 8.95952987670898, 0.0, 5.42924308776855, 0.0, , 0.0, 0.100000001490116, 0.0, 3.44952630996704, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.15503239631653, 0.0, 0.0, 0.0, 1.28208804130554, 2.0, 0.0, 0.0, 0.697569608688354, 0.0, 0.0, , 0.0, 0.466643810272217, 0.0, 32.6699981689453, 0.0, 0.231685176491737, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.4944448471069, 0.0, 0.0, 13.2458248138428, 0.0, , 314.0, 0.100000001490116, 570.298889160156, 0.0, 0.0, 13.218207359314, 3.94930672645569, 562.29638671875, 0.0, 0.0, 13.3289251327515, 0.0, 0.0, 0.0, 0.0, 0.0, 567.144653320312, 12.3289251327515, 4.70043992996216, 12.0, 537.389099121094, 0.0, 1000.03002929688, 0.0, 474.413299560547, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 6.0, 0.0, 9.94131088256836, 0.0, , 0.5, 6.34606504440308, 0.0, 0.0, 0.0, 0.20412415266037, 1.0, 4.26583766937256, 0.0, 0.0, 9.65811824798584, 0.0, 3.009202003479, 0.0, 0.0, 0.0, 0.0, 1.91861128807068, 0.0, 0.0, 0.0583857148885727, 0.0, 0.0, 0.0, 1.0, -0.0322742648422718, 1.0, 1.18972265720367, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H9NO2%2Fc14-13%2815%2911-7-6-9-5-4-8-2-1-3-10%2811%2912%288%299%2Fh1-3%2C6-7H%2C4-5H2, 0.0, 2.71277952194214 2.71277952194214, 3.15757918357849, -0.0227158647030592, 2.0, 0.0, 0.0, 4.74967050552368 4.74967050552368, 2.24770522117615, -0.0147821689024568, 0.0, 0.0, 6.65723514556885 6.65723514556885, -0.00170429155696183, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 84.0, 164.0, 1.08164691925049 1.08164691925049, 0.0, 0.5, 0.0, 0.0, 1.71307837963104 1.71307837963104, 0.0, 0.0, 0.0, 10.1730108261108, 0.0, 0.0, 2.01303863525391 2.01303863525391, 0.0, 3.78559994697571, 0.0962250456213951, 0.0, 0.0, 0.0, 1.55555558204651, 0.315235257148743, 0.0625, 0.0, 0.0, 0.563661098480225, 8.06467533111572, 0.148308381438255, 4.95056247711182, 0.219811335206032, , 6.08364343643188, 0.440610438585281, 0.0, 3.84061884880066, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.05057907104492, 2.0, 0.0984654203057289, 0.0, 2.39064002037048, 0.0, 0.0, 0.0, 1.63413548469543, 0.0, 0.0, 0.0, 0.0, 0.999377191066742, 0.0, 45.8199996948242, 0.0, 0.612310349941254, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 16.9089260101318, 4.0, 0.0, 18.2731170654297, 0.0, 0.0, 317.0, 0.0, 967.853759765625, 0.0, 0.0, 26.7710227966309, 0.0, 1185.08459472656, 0.0, 0.0, 26.8269233703613, 0.0, 0.0, 0.0, 0.0, 0.0, 1754.79528808594, 23.4911079406738, 4.90689039230347, 25.0, 1629.07995605469, 0.0, 466.029998779297, 0.0, 1168.42150878906, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.0, 0.0, 10.4138488769531, 0.0, 0.0, 0.5, 7.2708568572998, 0.0, 0.0, 0.0, 1.04994332790375, 0.0, 6.75483989715576, 0.0, 0.0, 7.91333341598511, 0.0, 5.88070917129517, 0.348110347986221, 15.7143325805664, 0.0, 0.0, 5.32672452926636, 5.0, 0.0, 0.0651353448629379, 0.0, 0.0, 0.0, 2.0, 0.00671140290796757, 0.0, 4.28990125656128, 0.0, 0.0, 0.0
InChI%3D1S%2FC2H4Br2%2Fc3-1-2-4%2Fh1-2H2, 0.0, 0.0 0.0, 0.0, -0.0331796258687973, 2.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0165898129343987, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 10.0, 14.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.34213542938232, 0.0, 3.27746033668518, 0.0, , 0.0, 0.0, 0.0, 1.96396100521088, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.92857146263123, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 90.5161819458008, 0.0, 0.0, 14.3053512573242, 0.0, 0.0, 10.0, 0.0, 231.67333984375, 0.0, 0.0, 13.3053512573242, 0.0, 184.801040649414, 0.0, 0.0, 44.2580909729004, 0.0, 0.0, 0.0, 0.0, 0.0, 111.886520385742, 0.0, 3.0, 1.0, 42.9221534729004, 0.0, 37.0200004577637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.41421365737915, 2.0, 0.0, 0.333333343267441, 1.91421353816986, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0663592517375946, 0.0, 0.0, 0.0, 0.0, -0.0165898129343987, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FCo.H2O4S.7H2O%2Fc%3B1-5%282%2C3%294%3B%3B%3B%3B%3B%3B%3B%2Fh%3B%28H2%2C1%2C2%2C3%2C4%29%3B7%2A1H2%2Fq%2B2%3B%3B%3B%3B%3B%3B%3B%3B%2Fp-2, 0.0, 0.0 0.0, 0.0, 0.122965343296528, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 20.0, -589934592.0, 0.0 0.0, 0.0, 3.0, 1.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 117.0, 0.0, 0.0, 0.0 0.0, 0.0, 40.3333320617676, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 5.18360662460327, 0.0, 0.707992315292358, 0.0, , 0.0, 0.0, 0.0, 0.144518330693245, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 88.6399993896484, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 50.722713470459, 0.0, 0.0, 14.2255973815918, 0.0, 0.0, 67999997952.0, 0.0, 144.268783569336, 0.0, 0.0, 10.6468143463135, 0.0, 113.202278137207, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 144.938140869141, 0.0, 4.70043992996216, 0.0, 0.0, 0.0, 168.130004882812, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.5, 0.0, 0.0, 0.999000012874603, 2.0, 0.0, 0.0, 0.0, 2.0, 0.0, 3.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.409884482622147, 0.0, 0.0, 0.0, 2.0, -0.327907592058182, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC15H9NO4%2Fc1-8-6-7-11-12%2813%288%2916%2819%2920%2915%2818%2910-5-3-2-4-9%2810%2914%2811%2917%2Fh2-7H%2C1H3, 0.0, 4.21336126327515 4.21336126327515, 3.91169095039368, -0.00891919434070587, 0.0, 0.0, 0.0, 7.70416402816772 7.70416402816772, 2.71424865722656, -0.0851475894451141, 0.0, 0.0, 12.2583503723145 12.2583503723145, -0.198474958539009, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 110.0, 267.0, 1.39562058448792 1.39562058448792, 0.0, 1.31556057929993, 0.0, 0.0, 2.01969695091248 2.01969695091248, 0.0, 0.0, 0.0, 14.9173555374146, 0.0, 0.0, 2.57593584060669 2.57593584060669, 0.0, 5.65289258956909, 0.0, 0.0, 0.0, 0.0, 2.390625, 0.175925925374031, 0.0, 0.0, 0.0, 0.422030478715897, 10.5443086624146, 0.0642361119389534, 5.98503732681274, 0.12639494240284, , 13.8563365936279, 0.618575513362885, 0.0, 4.61456966400146, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.45024061203003, 0.0, 0.151394695043564, 0.0, 2.50855207443237, 1.0, 0.0, 0.0, 1.74504494667053, 0.0, 0.0, 0.0, 0.0, 0.994504392147064, 0.0, 79.9599990844727, 0.0, 0.587092876434326, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.4578647613525, 5.0, 0.0, 23.9373016357422, 0.0, 0.0, 691.0, 0.0, 1326.71350097656, 2.0, 0.0, 36.0993919372559, 1.22054314613342, 1627.68225097656, 0.0, 0.0, 43.649845123291, 0.0, 0.0, 0.0, 0.0, 2.41710042953491, 2438.22290039062, 45.0296783447266, 5.32192802429199, 39.0, 2680.447265625, 0.0, 581.049987792969, 0.0, 2227.60888671875, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 7.0, 0.0, 14.438793182373, 0.0, 0.0, 0.5, 9.51974487304688, 0.0, 0.0, 0.0, 1.58440625667572, 0.0, 8.94760608673096, 0.0, 0.0, 5.15518665313721, 0.0, 7.82905960083008, 0.627484321594238, 15.9953508377075, 0.0, 0.0, 7.05717468261719, 6.0, 0.0, 0.312087804079056, 0.0, 0.0, 0.0, 4.0, -0.0154884429648519, 0.0, 5.87548542022705, 0.0, 0.0, 0.0
InChI%3D1S%2FC37H36N2O6S2.Na%2Fc1-3-38%2826-28-10-8-14-35%2824-28%2946%2840%2C41%2942%2933-20-16-31%2817-21-33%2937%2830-12-6-5-7-13-30%2932-18-22-34%2823-19-32%2939%284-2%2927-29-11-9-15-36%2825-29%2947%2843%2C44%2945%3B%2Fh5-25H%2C3-4%2C26-27H2%2C1-2H3%2C%28H-%2C40%2C41%2C42%2C43%2C44%2C45%29%3B%2Fq%3B%2B1%2Fp-1, 0.0, 8.14224433898926 8.14224433898926, 7.20896577835083, 0.064829021692276, 4.0, 0.0, 0.0, 11.6013278961182 11.6013278961182, 5.97035789489746, 0.000894193770363927, 0.0, 0.0, 15.7033853530884 15.7033853530884, -0.044751588255167, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 248.0, -1079215232.0, 3.11973857879639 3.11973857879639, 0.0, 1.77920365333557, 2.0, 0.0, 4.22118186950684 4.22118186950684, 0.0, 0.0, 0.0, 40.7658576965332, 0.0, 0.0, 4.81519269943237 4.81519269943237, 0.100000001490116, 18.6624126434326, 0.0, 0.0, 0.0, 0.0, 11.25, 0.435395419597626, 0.0, 0.0, 0.0, 0.452560126781464, 26.4743156433105, 0.143186122179031, 16.5601825714111, 0.163336232304573, , 8.14331722259521, 1.4627240896225, 0.0, 12.4242391586304, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.25254344940186, 0.0, 0.206866145133972, 0.0, 6.55645847320557, 2.0, 0.0, 0.0, 4.6007661819458, 0.0, 0.0, 0.0, 0.0, 2.68262720108032, 0.0, 137.410003662109, 0.0, 1.88015222549438, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 68.2860794067383, 4.0, 0.0, 70.6750793457031, 0.0, 0.0, 47000010752.0, 0.0714285746216774, 3983.4853515625, 3.0, 0.0, 87.6479873657227, 6.60746908187866, 4656.45556640625, 0.0, 0.0, 88.9937286376953, 0.0, 0.0, 0.0, 0.0, 2.71137595176697, 6542.68310546875, 88.6613540649414, 6.58496236801147, 77.0, 6937.87841796875, 0.0, 5140.10986328125, 0.0, 6708.57373046875, 7.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 20.0, 0.0, 33.6058731079102, 0.0, 0.0, 0.999000012874603, 22.4561901092529, 4.0, 0.0, 0.0, 4.70675182342529, 0.0, 21.3243808746338, 0.0, 0.577350258827209, 0.0, 0.0, 16.5851783752441, 1.19935870170593, 45.8561210632324, 0.0, 0.0, 13.5008201599121, 17.0, 0.0, 0.737580001354218, 0.288675129413605, 0.0, 0.0, 4.0, -0.402873277664185, 1.0, 11.3291578292847, 0.0, 0.0, 0.0
InChI%3D1S%2FC16H17NO2%2Fc1-18-15-9-10-16%2819-2%2913%2811-15%296-3-12-4-7-14%2817%298-5-12%2Fh3-11H%2C17H2%2C1-2H3%2Fb6-3%2B, 0.0, 2.27757239341736 2.27757239341736, 2.49775695800781, -0.00247654085978866, 0.0, 2.0, 0.0, 3.03219175338745 3.03219175338745, 1.51360106468201, -0.00968174077570438, 0.0, 0.0, 3.80089616775513 3.80089616775513, -0.0485791899263859, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 0.0, 92.0, 339.0, 0.752023577690125 0.752023577690125, 0.0, 0.0, 0.0, 0.0, 0.850901424884796 0.850901424884796, 0.0, 0.0, 0.0, 15.3900003433228, 0.0, 0.0, 0.858596801757812 0.858596801757812, 0.0, 7.69526624679565, 0.0, 0.0, 0.0, 0.0, 4.5, 0.151374712586403, 0.0, 0.0, 0.0, 0.286596477031708, 11.0899991989136, 0.0518340393900871, 5.98350477218628, 0.0656057596206665, , 2.779865026474, 0.402750372886658, 1.0, 4.10788059234619, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.82867765426636, 0.0, 0.0196418557316065, 0.0, 1.76278209686279, 2.0, 0.0, 0.0, 1.17620265483856, 0.0, 0.0, 0.0, 0.0, 0.594694674015045, 0.0, 44.4799995422363, 0.0, 0.31417578458786, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.9089260101318, 2.0, 0.0, 21.4945526123047, 0.200000002980232, 0.0, 774.0, 0.142857149243355, 1146.36572265625, 0.0, 0.0, 27.660737991333, 3.31477332115173, 1287.86193847656, 0.0, 0.0, 27.9928302764893, 0.0, 0.0, 0.0, 0.0, 2.15939807891846, 1671.85388183594, 21.4945526123047, 5.24792766571045, 26.0, 1610.79870605469, 0.0, 1027.03002929688, 0.0, 1227.54162597656, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 10.0, 0.0, 13.6649255752563, 0.0, 0.0, 0.454545468091965, 9.223876953125, 2.0, 0.0, 0.0, 1.03025674819946, 0.0, 7.71898174285889, 0.0, 0.0, 10.7442169189453, 0.0, 6.43131732940674, 0.0833333358168602, 15.9827899932861, 0.0, 0.0, 4.75330495834351, 7.0, 0.0, 0.373845785856247, 0.0, 0.0, 0.0, 0.0, -0.194602787494659, 0.0, 3.89058780670166, 0.0, 0.0, 0.0
InChI%3D1S%2FC13H13N3.C2H4O2%2Fc1-7-12-11%288%282%2915-13%287%2914%299-5-3-4-6-10%289%2916-12%3B1-2%283%294%2Fh3-6%2C16H%2C1-2H3%2C%28H2%2C14%2C15%29%3B1H3%2C%28H%2C3%2C4%29, 0.0, 3.29127097129822 3.29127097129822, 3.25181150436401, -9.75719103735173e-06, 0.0, 0.0, 0.0, 5.60223436355591 5.60223436355591, 2.19213104248047, -0.0633109882473946, 0.0, 0.0, 8.64026355743408 8.64026355743408, 0.0648401230573654, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 102.0, -949673024.0, 1.43851470947266 1.43851470947266, 0.0, 0.5, 0.0, 0.0, 2.09641933441162 2.09641933441162, 0.0, 0.0, 0.0, 16.3718814849854, 0.0, 0.0, 2.83179235458374 2.83179235458374, 0.0, 6.84000015258789, 0.0785674229264259, 0.0, 0.0, 0.0, 3.62130188941956, 0.33052721619606, 0.0279508493840694, 1.0, 0.0, 0.722711324691772, 11.7667770385742, 0.113160833716393, 6.51169586181641, 0.2210763245821, , 0.0961490422487259, 0.725567996501923, 0.0, 4.94827461242676, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.35926699638367, 2.0, 0.162544772028923, 0.0, 2.47915768623352, 3.0, 0.0, 0.0, 1.80230224132538, 0.0, 0.0, 0.0, 0.0, 0.983757078647614, 0.0, 86.0699996948242, 0.0, 0.539416193962097, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 22.6289024353027, 3.0, 0.0, 22.4951095581055, 0.0, 0.0, 64000000000.0, 1.75441061855963e-06, 1196.39135742188, 2.0, 0.0, 33.1281242370605, 0.00399467768147588, 1427.65881347656, 0.0, 0.0, 29.8280372619629, 0.0, 0.0, 0.0, 0.0, 0.00578939402475953, 2103.50854492188, 24.7170867919922, 5.32192802429199, 28.0, 2009.95568847656, 0.0, 1141.05004882812, 0.0, 1524.81896972656, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 1.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.25, 0.0, 1.0, 0.0, 7.0, 0.0, 14.861442565918, 0.0, 0.0, 0.999000012874603, 9.4135913848877, 0.0, 1.0, 0.0, 1.79114818572998, 0.0, 8.96673583984375, 2.0, 0.0, 3.96540641784668, 0.0, 6.5051121711731, 0.451980829238892, 0.869349956512451, 1.0, 0.0, 5.64928913116455, 4.0, 0.0, 0.338356852531433, 0.0, 0.0, 0.0, 1.0, -0.155291721224785, 0.0, 4.66413497924805, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H8%2Fc1-4%282%293%2Fh1H2%2C2-3H3, 0.0, 0.0 0.0, 0.0, 0.000223240029299632, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 12.0, 9.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.33333337306976, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 3.20710682868958, 0.0, 1.35355341434479, 0.0, , 0.0, 0.353553384542465, 0.0, 1.20710682868958, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 3.0, 0.0, 0.0, 9.0, 1.5, 124.397674560547, 1.0, 0.0, 3.0, 0.0, 101.47240447998, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 83.0596542358398, 0.0, 3.0, 0.0, 0.0, 0.0, 109.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.5773503780365, 0.0, 0.0, 0.5, 1.73205077648163, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 1.73205077648163, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.00335499970242381, 0.0, 0.0, 0.0, 0.0, -0.00190073996782303, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC11H12N3O3%2Fc12-10%2815%296-9-11%2816%2917-13-14%289%297-8-4-2-1-3-5-8%2Fh1-5%2C16H%2C6-7H2%2C%28H2%2C12%2C15%29%2Fq%2B1%2Fp-1, 0.0, 2.04312229156494 2.04312229156494, 1.85798621177673, 0.0173999313265085, 2.0, 0.0, 0.0, 3.19735455513 3.19735455513, 1.31580328941345, -0.0130057791247964, 0.0, 0.0, 4.20879936218262 4.20879936218262, -0.149567469954491, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 84.0, 250.0, 0.892236590385437 0.892236590385437, 0.0, 0.200000002980232, 0.0, 0.0, 1.1804586648941 1.1804586648941, 0.0, 0.63245552778244, 0.0, 13.4320983886719, 0.0, 0.0, 1.11159813404083 1.11159813404083, 0.0, 6.25, 0.0962250456213951, 0.0, 0.0, 0.0, 3.72889423370361, 0.334369868040085, 0.0527046285569668, 1.0, 0.0, 0.334931492805481, 9.05719947814941, 0.130180835723877, 5.427405834198, 0.119633905589581, , 2.24957680702209, 0.419956743717194, 0.0, 3.9913341999054, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.85494232177734, 0.0, 0.0706011354923248, 0.0, 1.97586274147034, 0.0, 0.0, 0.0, 1.19290566444397, 0.0, 0.0, 0.0, 0.0, 0.591381967067719, 0.0, 82.4100036621094, 0.0, 0.340033143758774, 0.0, 0.200000002980232, 0.0, 0.0, 0.0, 0.25, 20.4033718109131, 1.0, 0.0, 20.4082851409912, 0.0, 0.0, 537.0, 0.0, 938.9306640625, 1.0, 0.0, 28.0409736633301, 0.0, 1071.21020507812, 0.0, 0.0, 24.4324111938477, 0.0, 0.0, 0.0, 0.0, 0.0, 1417.35620117188, 22.5710258483887, 5.08746290206909, 21.0, 1235.07849121094, 0.0, 817.059997558594, 0.0, 1045.04309082031, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 7.0, 0.0, 12.2507123947144, 0.0, 0.0, 0.444444447755814, 8.16470336914062, 0.0, 1.0, 0.0, 1.15082406997681, 0.0, 7.34785556793213, 2.0, 0.0, 8.18502330780029, 0.0, 5.43359756469727, 0.164266422390938, 8.36483192443848, 0.0, 0.0, 4.48246288299561, 5.0, 0.0, 0.410808503627777, 0.0, 0.0, 0.0, 0.0, -0.173419505357742, 1.0, 3.52555847167969, 0.0, 0.0, 0.0
InChI%3D1S%2FC20H12%2Fc1-2-7-17-15%284-1%2912-16-9-8-13-5-3-6-14-10-11-18%2817%2920%2816%2919%2813%2914%2Fh1-12H, 0.0, 3.45332527160645 3.45332527160645, 5.71068239212036, 0.0, 0.0, 0.0, 0.0, 6.6857852935791 6.6857852935791, 4.73219299316406, 0.0, 0.0, 0.0, 11.0974588394165 11.0974588394165, 0.0, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 120.0, 318.0, 1.51496601104736 1.51496601104736, 0.0, 0.0, 0.0, 0.0, 2.47072172164917 2.47072172164917, 0.0, 0.0, 0.0, 12.534722328186, 0.0, 0.0, 3.4527952671051 3.4527952671051, 0.0, 4.75, 0.0, 0.0, 0.0, 0.0, 1.82082641124725, 0.307846754789352, 0.0, 0.0, 0.0, 0.675262272357941, 10.9282035827637, 0.111542902886868, 6.97008466720581, 0.208587795495987, , 13.0823335647583, 0.602670907974243, 0.0, 5.45373868942261, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.37090396881104, 8.0, 0.141056790947914, 0.0, 3.48949384689331, 0.0, 0.0, 0.0, 2.74007701873779, 0.0, 0.0, 0.0, 0.0, 1.73870468139648, 0.0, 0.0, 0.0, 1.209477186203, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.0, 8.0, 0.0, 24.0, 0.0, 0.0, 680.0, 0.0, 1749.96716308594, 0.0, 0.0, 36.0, 0.0, 2190.57788085938, 0.0, 0.0, 40.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3363.40087890625, 35.0, 5.32192802429199, 40.0, 3642.68139648438, 0.0, 916.0, 0.0, 2989.47094726562, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0, 0.0, 13.1040830612183, 0.0, 0.0, 0.444444447755814, 9.91581630706787, 0.0, 0.0, 0.0, 1.16105437278748, 0.0, 9.12849235534668, 0.0, 0.0, 17.6548461914062, 0.0, 8.62400817871094, 0.372661560773849, 31.8787746429443, 0.0, 0.0, 8.1390266418457, 12.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.58610868453979, 0.0, 0.0, 0.0
InChI%3D1S%2F2C17H13ClN2O4S.Ba%2Fc2%2A1-10-8-14%2816%289-13%2810%2918%2925%2822%2C23%2924%2919-20-17-12-5-3-2-4-11%2812%296-7-15%2817%2921%3B%2Fh2%2A2-9%2C21H%2C1H3%2C%28H%2C22%2C23%2C24%29%3B%2Fq%3B%3B%2B2%2Fp-2%2Fb2%2A20-19%2B%3B, 0.0, 10.1575708389282 10.1575708389282, 8.19340515136719, -0.171282470226288, 0.0, 0.0, 2.0, 14.8768892288208 14.8768892288208, 5.25137805938721, -0.307160228490829, 0.0, 0.0, 21.9283065795898 21.9283065795898, -0.0731247141957283, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 268.0, 625817472.0, 3.71242952346802 3.71242952346802, 0.0, 0.000111243636638392, 2.0, 0.0, 4.17885255813599 4.17885255813599, 0.0, 0.0, 0.0, 43.7242813110352, 0.0, 0.0, 5.1960186958313 5.1960186958313, 0.0, 18.7578125, 0.0, 0.0, 0.0, 0.0, 11.0726642608643, 0.388888895511627, 0.0, 2.0, 0.0, 0.917234718799591, 27.5558853149414, 0.138888895511627, 16.1082744598389, 0.279591858386993, , 0.0, 1.85023260116577, 0.0, 12.4224920272827, 0.0, 0.0, 0.0, 0.0323152802884579, 0.0, 0.0, 8.72761154174805, 4.0, 0.435853481292725, 0.0, 5.59587907791138, 2.0, 0.00932861771434546, 0.0, 3.92302632331848, 0.0, 0.0, 0.0, 0.0, 1.99544620513916, 0.0, 221.059997558594, 0.0, 0.962193250656128, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 216.045715332031, 6.0, 0.0, 78.6303405761719, 0.0, 0.0, 675000025088.0, 9.99999971718069e-10, 3763.39599609375, 0.0, 0.0, 104.448043823242, 0.000400137098040432, 4425.87353515625, 0.0, 0.0, 116.028228759766, 0.0, 0.0, 0.0, 0.0, 0.000510707148350775, 6352.2919921875, 112.295890808105, 6.67242527008057, 84.0, 6442.88818359375, 0.0, 3534.169921875, 0.0, 5357.93212890625, 12.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 6.00000021222513e-06, 0.0, 0.0, 0.0, 26.0, 0.0, 36.3797416687012, 0.0, 0.0, 0.999000012874603, 23.5397510528564, 0.0, 0.0, 0.0, 5.59296417236328, 4.0, 23.3256015777588, 0.0, 0.577350258827209, 0.0, 0.0, 18.130744934082, 1.59793519973755, 0.0, 0.0, 0.0, 14.5113649368286, 16.0, 0.0, 1.01583969593048, 0.235702261328697, 0.0, 0.0, 4.0, -0.24174228310585, 0.0, 12.3104515075684, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H6N4O4S%2Fc13-4-9-11-8-10-5%283-17-8%296-1-2-7%2816-6%2912%2814%2915%2Fh1-4H%2C%28H%2C9%2C13%29%28H%2C10%2C11%29, 0.0, 2.32489705085754 2.32489705085754, 2.28707909584045, -0.0687616541981697, 0.0, 0.0, 0.0, 3.03617382049561 3.03617382049561, 1.37520980834961, 0.266496360301971, 0.0, 0.0, 3.48097133636475 3.48097133636475, -0.261955767869949, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 1.0, 84.0, 292.0, 0.644113481044769 0.644113481044769, 0.0, 0.481411129236221, 0.0, 0.0, 0.842595636844635 0.842595636844635, 0.0, 0.721124768257141, 0.0, 13.4320983886719, 0.0, 0.0, 0.737662374973297 0.737662374973297, 0.0, 6.25, 0.235702261328697, 0.0, 0.0, 0.0, 3.48444437980652, 0.287457466125488, 0.113077633082867, 1.0, 0.0, 0.474854648113251, 9.04774475097656, 0.111281804740429, 5.20305967330933, 0.113859154284, , 2.52506470680237, 0.35037836432457, 0.0, 3.64736795425415, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.49326467514038, 0.0, 0.0239986199885607, 0.0, 1.73439431190491, 0.0, 0.0, 0.0, 0.934232831001282, 0.0, 0.0, 0.0, 0.0, 0.554020643234253, 0.0, 144.710006713867, 0.0, 0.299924612045288, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 27.6655807495117, 0.0, 0.0, 24.6336917877197, 0.0, 0.0, 578.0, 0.0, 940.749633789062, 0.0, 0.0, 34.6294898986816, 0.0, 1084.03588867188, 0.0, 0.0, 28.6263103485107, 0.0, 0.0, 0.0, 0.0, 0.0, 1453.76782226562, 28.0518188476562, 5.08746290206909, 20.0, 1123.6640625, 0.0, 304.089996337891, 0.0, 1042.0419921875, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 1.65096366405487, 0.0, 0.0, 0.458566069602966, 4.0, 0.0, 12.2507123947144, 0.0, 0.0, 0.454545468091965, 8.20270824432373, 1.0, 1.0, 0.0, 1.03745746612549, 1.0, 7.15861511230469, 0.0, 0.0, 1.55034387111664, 0.0, 5.67093706130981, 0.25, 6.06319618225098, 1.0, 0.0, 4.38314771652222, 3.0, 0.0, 0.490651518106461, 0.0, 0.0, 1.0, 2.0, -0.26998382806778, 0.0, 3.01582217216492, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H5NS2%2Fc9-7-8-5-3-1-2-4-6%285%2910-7%2Fh1-4H%2C%28H%2C8%2C9%29, 0.0, 1.23289024829865 1.23289024829865, 1.11094164848328, 0.0399638600647449, 0.0, 0.0, 0.0, 2.06390786170959 2.06390786170959, 0.679283082485199, -0.00680549256503582, 0.0, 0.0, 2.40370297431946 2.40370297431946, -0.00150363706052303, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 1.0, 52.0, 87.0, 0.924860298633575 0.924860298633575, 0.0, 0.0, 0.0, 0.0, 1.35870051383972 1.35870051383972, 0.0, 0.0, 0.0, 6.69421482086182, 0.0, 0.0, 1.39393401145935 1.39393401145935, 0.0, 2.55999994277954, 0.0962250456213951, 0.0, 0.0, 0.0, 1.24099719524384, 0.315641134977341, 0.0684653222560883, 0.0, 0.0, 0.398271471261978, 6.82300043106079, 0.198690578341484, 4.17012929916382, 0.220974624156952, , 1.88988161087036, 0.608749866485596, 0.0, 3.72098588943481, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.49545240402222, 2.0, 0.0456435456871986, 0.0, 1.96837818622589, 0.0, 0.0, 0.0, 1.27203249931335, 0.0, 0.0, 0.0, 0.0, 0.547754228115082, 0.0, 79.9300003051758, 0.0, 0.287416219711304, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 22.6154937744141, 0.0, 0.0, 16.3417263031006, 0.0, 0.0, 108.0, 0.0, 854.2060546875, 0.0, 0.0, 29.0266227722168, 0.0, 980.505187988281, 0.0, 0.0, 18.011510848999, 0.0, 0.0, 0.0, 0.0, 0.0, 1309.4443359375, 11.1755409240723, 4.32192802429199, 11.0, 889.974609375, 1.0, 166.029998779297, 0.0, 445.562835693359, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 6.97469139099121, 0.0, 0.0, 0.400000005960464, 4.86017322540283, 0.0, 0.0, 0.0, 0.622008442878723, 0.0, 4.38119268417358, 0.0, 0.0, 3.96540641784668, 0.0, 3.47673320770264, 0.0833333358168602, 5.24148273468018, 1.0, 0.0, 3.03493571281433, 4.0, 0.0, 0.098217636346817, 0.0, 0.0, 0.0, 0.0, -0.0806365162134171, 0.0, 2.23297476768494, 0.0, 0.0, 0.0
InChI%3D1S%2FC20H19NO3%2Fc1-20%282%2910-9-13-15%2824-20%2911-16%2823-4%2917-18%2813%2921%283%2914-8-6-5-7-12%2814%2919%2817%2922%2Fh5-11H%2C1-4H3, 0.0, 5.20828104019165 5.20828104019165, 5.75079965591431, -0.0990970209240913, 0.0, 2.0, 0.0, 9.3944845199585 9.3944845199585, 4.37420654296875, -0.232138082385063, 0.0, 0.0, 15.2365789413452 15.2365789413452, 0.530371069908142, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 138.0, 399.0, 2.07414174079895 2.07414174079895, 0.0, 0.0, 0.0, 0.0, 3.05118560791016 3.05118560791016, 0.0, 0.40824830532074, 0.0, 17.4156379699707, 0.0, 0.0, 4.04992532730103 4.04992532730103, 0.0, 6.3106575012207, 0.0, 0.0, 0.0, 0.0, 2.82333326339722, 0.224656850099564, 0.0, 0.0, 0.0, 0.607585906982422, 14.2134103775024, 0.0768057405948639, 7.93455600738525, 0.170689880847931, , 13.1870088577271, 1.33647608757019, 0.0, 6.65838050842285, 0.0, 1.85250663757324, 0.0, 0.117851130664349, 0.0, 0.0, 4.58276700973511, 0.0, 0.168203353881836, 0.0, 3.42604804039001, 4.0, 0.0, 0.0, 2.55961799621582, 0.0, 0.0, 0.0, 0.0, 1.5995512008667, 0.0, 38.7700004577637, 0.0, 1.04295885562897, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 26.6833953857422, 4.0, 0.0, 29.1590156555176, 0.25, 0.0, 1141.0, 1.08364999294281, 1921.11511230469, 1.0, 0.0, 45.6535682678223, 5.30222702026367, 2375.25170898438, 1.0, 0.0, 52.3180313110352, 0.0, 0.0, 0.0, 0.0, 7.42786931991577, 3673.05615234375, 53.0325355529785, 5.58496236801147, 48.0, 4102.3662109375, 0.0, 1564.0400390625, 1.63299322128296, 3681.16674804688, 7.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 9.0, 0.0, 17.0601139068604, 0.0, 0.0, 0.5, 11.4266519546509, 2.0, 0.0, 0.0, 2.55581068992615, 0.0, 11.2200775146484, 0.0, 0.25, 5.80259275436401, 0.0, 9.62755584716797, 0.546985328197479, 17.2723503112793, 0.0, 0.0, 8.69066524505615, 5.0, 0.0, 0.557066082954407, 0.0, 1.65523326396942, 0.0, 1.0, -0.210522040724754, 1.0, 7.78535461425781, 0.0, 0.0, 0.0
InChI%3D1S%2FC19H18N2O7S2.2Na%2Fc1-10-6-12%283%2916%287-11%2810%292%2920-21-18-15-5-4-14%2829%2823%2C24%2925%298-13%2815%299-17%2819%2818%2922%2930%2826%2C27%2928%3B%3B%2Fh4-9%2C22H%2C1-3H3%2C%28H%2C23%2C24%2C25%29%28H%2C26%2C27%2C28%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb21-20%2B%3B%3B, 0.0, 7.44308948516846 7.44308948516846, 4.97932291030884, -0.0709943473339081, 0.0, 0.0, 0.0, 10.3020887374878 10.3020887374878, 3.83591842651367, -0.203695088624954, 0.0, 0.0, 14.6900253295898 14.6900253295898, 0.160474956035614, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 164.0, -424509504.0, 2.35119676589966 2.35119676589966, 0.0, 4.30676078796387, 2.0, 0.0, 2.47104811668396 2.47104811668396, 0.0, 0.0, 0.0, 30.03125, 0.0, 0.0, 3.11361980438232 3.11361980438232, 0.0, 11.1599998474121, 0.0, 0.0, 0.0, 0.0, 6.78980207443237, 0.168957859277725, 0.0, 1.0, 0.0, 0.491633713245392, 16.1729545593262, 0.0629317909479141, 9.53817653656006, 0.163140013813972, , 12.5511426925659, 1.34610188007355, 0.0, 7.67385149002075, 0.0, 0.0, 0.0, 0.0323152802884579, 0.0, 0.0, 5.14167833328247, 2.0, 0.251441359519958, 0.0, 3.22359228134155, 3.0, 0.00932861771434546, 0.0, 2.32099175453186, 0.0, 0.0, 0.0, 0.0, 1.36175084114075, 0.0, 176.110000610352, 0.0, 0.780980885028839, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 55.7243347167969, 5.0, 0.0, 51.7024192810059, 0.0, 0.0, 61000003584.0, 0.766309440135956, 2387.50830078125, 0.0, 0.0, 64.9798049926758, 3.15662884712219, 2831.77197265625, 0.0, 0.0, 69.1001434326172, 0.0, 0.0, 0.0, 0.0, 6.50509548187256, 4207.30615234375, 66.1468048095703, 6.0, 53.0, 4393.61181640625, 0.0, 1312.13000488281, 0.0, 3869.4111328125, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 11.0, 0.0, 22.4303569793701, 0.0, 0.0, 0.999000012874603, 13.7857303619385, 0.0, 0.0, 0.0, 4.49929523468018, 2.0, 14.7718133926392, 0.0, 0.577350258827209, 3.48769187927246, 0.0, 10.860032081604, 1.34128963947296, 17.4492378234863, 0.0, 0.0, 8.51923656463623, 6.0, 0.0, 0.742733240127563, 0.262188702821732, 0.0, 0.0, 4.0, -0.22107221186161, 0.0, 6.93633079528809, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H3N3O3%2Fc7-2-1-6%285-9%293%288%294-2%2Fh1H2%2C%28H%2C4%2C7%2C8%29, , 1.35015892982483 1.35015892982483, 0.300349175930023, 0.187467262148857, 1.0, 0.0, 0.0, 2.03815960884094 2.03815960884094, 0.0680413842201233, -0.225979670882225, , 0.0, 1.85018289089203 1.85018289089203, 0.0636641085147858, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 42.0, 66.0, 0.259228616952896 0.259228616952896, 0.0, 0.696238338947296, 0.0, 0.0, 0.261830419301987 0.261830419301987, 0.0, 0.0, 0.0, 7.11111116409302, 0.0, 0.0, 0.138123199343681 0.138123199343681, 0.0, 2.72222232818604, 0.0962250456213951, 0.0, 0.0, 0.0, 1.4693877696991, 0.260491460561752, 0.0353553406894207, 1.0, 0.0, 0.300349175930023, 4.31245756149292, 0.0460565350949764, 2.15090656280518, 0.0264359842985868, , 0.5, 0.182246178388596, 0.0, 1.44990408420563, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.835255920886993, 0.0, 0.0129099441692233, , 0.468852669000626, 0.0, 0.0, 0.0, 0.151495426893234, 0.0, , , 0.0, 0.0234473999589682, 0.0, 82.3300018310547, 0.0, 0.00263523147441447, , 0.0, 0.0, 0.0, 0.0, 0.0, 12.4033708572388, 0.0, 0.0, 11.2423791885376, 0.0, , 85.0, 0.0, 277.480987548828, 2.0, 0.0, 15.5706853866577, 0.0, 309.458099365234, 0.0, 0.0, 12.2935647964478, 0.0, 0.0, 0.0, , 0.0, 400.168212890625, 7.98796224594116, 4.16992521286011, 9.0, 231.914138793945, 0.0, 72.0599975585938, 0.0, 91.9251861572266, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.0, 0.0, , , 1.0, 0.0, , , 0.333333343267441, 0.0, 0.0, 1.41421353816986, 0.0, 0.0, 6.85337114334106, , , 0.400000005960464, 4.23638200759888, 0.0, 0.0, 0.0, 0.6910440325737, 2.0, 3.72218799591064, 0.0, 0.0, 0.0, 0.0, 2.80838751792908, 0.117851130664349, 1.41421353816986, 0.0, 0.0, 2.24152088165283, 0.0, 0.0, 0.343413174152374, 0.0, 0.0, 0.0, 2.0, -0.219208955764771, 1.0, 1.13403356075287, 0.0, 0.0, 0.0
InChI%3D1S%2FC17H17ClO3%2Fc1-17%282%2C16%2819%2920-3%2921-15-10-6-13%287-11-15%2912-4-8-14%2818%299-5-12%2Fh4-11H%2C1-3H3, 0.0, 4.12805366516113 4.12805366516113, 2.48553776741028, -0.0759300068020821, 0.0, 2.0, 1.0, 5.11439657211304 5.11439657211304, 1.7287585735321, 0.185959622263908, 0.0, 0.0, 5.82603883743286 5.82603883743286, -0.0908069685101509, 0.0, 0.0, 0.857142865657806, 0.0, 0.0, 0.0, 106.0, 426.0, 1.43263149261475 1.43263149261475, 0.0, 0.0, 0.0, 0.0, 1.59116077423096 1.59116077423096, 0.0, 0.816496610641479, 0.0, 17.3553714752197, 0.0, 0.0, 1.47534155845642 1.47534155845642, 0.0, 7.51300716400146, 0.0, 0.0, 0.0, 0.0, 4.73338222503662, 0.16666667163372, 0.0, 0.0, 0.0, 0.23848395049572, 12.9774408340454, 0.0555555559694767, 6.93442583084106, 0.0706150457262993, , 2.45254445075989, 1.12360525131226, 0.0, 5.57166004180908, 0.0, 1.42066359519958, 0.0, 0.102062076330185, 0.0, 0.0, 3.33383083343506, 0.0, 0.103465132415295, 0.0, 2.06583952903748, 3.0, 0.0170103460550308, 0.0, 1.28309404850006, 0.0, 0.0, 0.0, 0.0, 0.685382962226868, 0.0, 35.5299987792969, 0.0, 0.392142742872238, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 31.0361614227295, 3.0, 0.0, 25.6121978759766, 0.333333343267441, 0.0, 1040.0, 0.944940805435181, 1299.17041015625, 1.0, 0.0, 38.0025863647461, 3.53533577919006, 1477.47668457031, 1.0, 0.0, 38.7770576477051, 0.0, 0.0, 0.0, 0.0, 2.88494110107422, 1996.11413574219, 28.2801055908203, 5.39231729507446, 31.0, 1908.12280273438, 0.0, 1101.0400390625, 2.0800838470459, 1540.85986328125, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 15.4578189849854, 0.0, 0.0, 0.461538463830948, 9.9198522567749, 0.0, 0.0, 0.0, 2.08073353767395, 0.0, 9.30275917053223, 0.0, 0.20412415266037, 9.90748405456543, 0.0, 7.37979888916016, 0.576132595539093, 14.4015293121338, 0.0, 0.0, 5.11881542205811, 8.0, 0.0, 0.489556610584259, 0.144337564706802, 1.57125854492188, 0.0, 1.0, -0.262465327978134, 0.0, 3.89253330230713, 0.0, 0.0, 0.0
InChI%3D1S%2FC14H8O3%2Fc15-11-7-3-6-10-12%2811%2914%2817%299-5-2-1-4-8%289%2913%2810%2916%2Fh1-7%2C15H, 0.0, 3.34963870048523 3.34963870048523, 3.18302011489868, -0.0163560658693314, 0.0, 0.0, 0.0, 6.15172100067139 6.15172100067139, 2.25540161132812, -0.108893133699894, 0.0, 0.0, 9.69198989868164 9.69198989868164, -0.117954477667809, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 94.0, 211.0, 1.05523109436035 1.05523109436035, 0.0, 0.646330416202545, 0.0, 0.0, 1.53542292118073 1.53542292118073, 0.0, 0.0, 0.0, 12.055401802063, 0.0, 0.0, 1.92943596839905 1.92943596839905, 0.0, 4.59183692932129, 0.0, 0.0, 0.0, 0.0, 1.86555624008179, 0.188411757349968, 0.0, 1.0, 0.0, 0.416858673095703, 8.80516242980957, 0.0674590393900871, 5.20322227478027, 0.11022587865591, , 11.6217460632324, 0.445618152618408, 0.0, 3.90353107452393, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.9304678440094, 0.0, 0.111964896321297, 0.0, 2.1268515586853, 0.0, 0.0, 0.0, 1.47175669670105, 0.0, 0.0, 0.0, 0.0, 0.791752457618713, 0.0, 54.3699989318848, 0.0, 0.462897062301636, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.3234062194824, 4.0, 0.0, 19.9962768554688, 0.0, 0.0, 442.0, 0.0, 1130.69506835938, 2.0, 0.0, 29.9925518035889, 0.0, 1375.77209472656, 0.0, 0.0, 35.6530113220215, 0.0, 0.0, 0.0, 0.0, 0.0, 2025.474609375, 33.0916633605957, 5.08746290206909, 32.0, 2138.89282226562, 0.0, 457.029998779297, 0.0, 1632.7060546875, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 8.0, 0.0, 11.9911994934082, 0.0, 0.0, 0.428571432828903, 8.19837760925293, 0.0, 0.0, 0.0, 1.13996183872223, 0.0, 7.47979211807251, 0.0, 0.0, 6.74417209625244, 0.0, 6.85639619827271, 0.4793361723423, 16.8907260894775, 0.0, 0.0, 6.10073471069336, 7.0, 0.0, 0.322357475757599, 0.0, 0.0, 0.0, 2.0, -0.0481082163751125, 0.0, 4.9997992515564, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H7N3O2%2Fc1-10%289-12%297-4-2-6%288-11%293-5-7%2Fh2-5H%2C1H3, 0.0, 1.58205497264862 1.58205497264862, 1.1175240278244, 0.0153174884617329, 0.0, 0.0, 0.0, 1.86607563495636 1.86607563495636, 0.706875443458557, -0.026459775865078, 0.0, 0.0, 1.84254634380341 1.84254634380341, -0.0282084848731756, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 54.0, 138.0, 0.466725438833237 0.466725438833237, 0.0, 0.125, 0.0, 0.0, 0.422864824533463 0.422864824533463, 0.0, 0.0, 0.0, 10.0833330154419, 0.0, 0.0, 0.346078842878342 0.346078842878342, 0.0, 4.88888883590698, 0.0, 0.0, 0.0, 0.0, 2.77777767181396, 0.0833333358168602, 0.0, 0.0, 0.0, 0.107038088142872, 6.46753835678101, 0.0277777779847383, 3.28094267845154, 0.0248451996594667, , 0.333333343267441, 0.249071195721626, 0.0, 2.21294140815735, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.45126187801361, 0.0, 0.0333333350718021, 0.0, 0.776368796825409, 1.0, 0.0, 0.0, 0.451580822467804, 0.0, 0.0, 0.0, 0.0, 0.204993769526482, 0.0, 62.0999984741211, 0.0, 0.0797359496355057, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.6289024353027, 0.0, 0.0, 13.9654760360718, 0.0, 0.0, 210.0, 0.0, 511.828674316406, 0.0, 0.0, 16.8826694488525, 1.15470051765442, 564.584716796875, 0.0, 0.0, 17.3254795074463, 0.0, 0.0, 0.0, 0.0, 0.63245552778244, 705.663391113281, 11.9931087493896, 4.58496236801147, 15.0, 620.398010253906, 0.0, 229.050003051758, 0.0, 358.952758789062, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.16666667163372, 0.0, 0.0, 0.894427180290222, 6.0, 0.0, 8.97469139099121, 0.0, 0.0, 0.5, 5.77438688278198, 0.0, 0.0, 0.0, 0.606493055820465, 2.0, 4.57458591461182, 0.0, 0.0, 3.30192732810974, 0.0, 3.91745018959045, 0.117851130664349, 5.65685415267944, 0.0, 0.0, 2.49884915351868, 4.0, 0.0, 0.108813434839249, 0.0, 0.0, 0.0, 2.0, -0.0231893844902515, 1.0, 1.73876953125, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H3Cl5O%2Fc1-13-7-5%2811%293%289%292%288%294%2810%296%287%2912%2Fh1H3, 0.0, 3.48826050758362 3.48826050758362, 1.01792728900909, -0.184420570731163, 0.0, 1.0, 5.0, 5.19171476364136 5.19171476364136, 0.34362655878067, -0.0211005117744207, 0.0, 0.0, 7.23896408081055 7.23896408081055, 0.028040973469615, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 64.0, 117.0, 2.32791471481323 2.32791471481323, 0.0, 0.0, 0.0, 0.0, 3.11297369003296 3.11297369003296, 0.0, 0.0, 0.0, 11.0769233703613, 0.0, 0.0, 3.9619312286377 3.9619312286377, 0.0, 4.02216053009033, 0.0, 0.0, 0.0, 0.0, 1.77514791488647, 0.0370370373129845, 0.0, 0.0, 0.0, 0.211374327540398, 10.0777149200439, 0.015625, 4.947105884552, 0.0949643030762672, , 9.12546539306641, 0.759714424610138, 0.0, 3.99298191070557, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.61572241783142, 0.0, 0.379292339086533, 0.0, 2.03931617736816, 1.0, 0.0, 0.0, 1.01965808868408, 0.0, 0.0, 0.0, 0.0, 0.462954044342041, 0.0, 9.22999954223633, 0.0, 0.136512726545334, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 52.3382377624512, 0.0, 0.0, 23.4228706359863, 0.0, 0.0, 220.0, 0.0, 1081.01147460938, 0.0, 0.0, 39.1815567016602, 0.0, 1252.58203125, 0.0, 0.0, 79.8965454101562, 0.0, 0.0, 0.0, 0.0, 1.78549027442932, 1754.67395019531, 66.7092361450195, 4.70043992996216, 23.0, 1777.88549804688, 0.0, 100.059997558594, 0.0, 1010.91735839844, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 10.1712083816528, 0.0, 0.0, 0.333333343267441, 6.00210618972778, 0.0, 0.0, 0.0, 1.09833323955536, 0.0, 5.36768674850464, 0.0, 0.0, 0.0, 0.0, 5.13947534561157, 0.601579308509827, 0.0, 0.0, 0.0, 3.43868207931519, 0.0, 0.0, 0.433054327964783, 0.0, 0.0, 0.0, 0.0, -0.089167982339859, 0.0, 1.98532402515411, 0.0, 0.0, 0.0
InChI%3D1S%2FC13H12N4.ClH%2Fc1-17-11-7-10%289-5-3-2-4-6-9%298-15-12%2811%2916-13%2817%2914%3B%2Fh2-8H%2C1H3%2C%28H2%2C14%2C15%2C16%29%3B1H, 0.0, 2.91859745979309 2.91859745979309, 2.74220037460327, 0.130421221256256, 0.0, 0.0, 0.0, 4.43170309066772 4.43170309066772, 2.03851056098938, -0.0433182641863823, 0.0, 0.0, 6.00079965591431 6.00079965591431, 0.00283271609805524, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 92.0, -654705728.0, 1.01941025257111 1.01941025257111, 0.0, 0.0, 0.0, 0.0, 1.24023616313934 1.24023616313934, 0.0, 0.0, 0.0, 14.4099721908569, 0.0, 0.0, 1.33216655254364 1.33216655254364, 0.0, 5.96982145309448, 0.0785674229264259, 0.0, 0.0, 0.0, 2.80496716499329, 0.438349395990372, 0.0279508493840694, 0.0, 0.0, 0.597037613391876, 10.660623550415, 0.121272623538971, 5.40294170379639, 0.122438780963421, , 4.20685720443726, 0.454823195934296, 0.0, 3.99037456512451, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.90826559066772, 0.0, 0.102437242865562, 0.0, 1.91006326675415, 1.0, 0.0, 0.0, 1.25660073757172, 0.0, 0.0, 0.0, 0.0, 0.641829133033752, 0.0, 52.0099983215332, 0.0, 0.386049062013626, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.5, 27.1527061462402, 2.0, 0.0, 20.3294811248779, 0.0, 0.0, 17000000512.0, 0.0, 1151.41723632812, 1.0, 0.0, 29.2708778381348, 1.2141900062561, 1352.68359375, 0.0, 0.0, 28.0218410491943, 0.0, 0.0, 0.0, 0.0, 1.67081260681152, 1916.68603515625, 20.5232849121094, 5.16992521286011, 26.0, 1762.99670410156, 0.0, 718.049987792969, 0.0, 1285.22473144531, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.816496610641479, 7.0, 0.0, 11.8280630111694, 0.0, 0.0, 0.999000012874603, 8.25401973724365, 0.0, 1.0, 0.0, 1.06423509120941, 0.0, 7.46725940704346, 0.0, 0.0, 8.56995296478271, 0.0, 6.65260791778564, 0.366024911403656, 11.1945810317993, 1.0, 0.0, 5.38661098480225, 7.0, 0.0, 0.220728442072868, 0.0, 0.0, 0.0, 0.0, -0.195865422487259, 1.0, 4.36996603012085, 0.0, 0.0, 0.0
InChI%3D1S%2FC2H5NO%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29, 0.0, 0.0 0.0, 0.0, -0.00407429318875074, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 12.0, 9.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.33333337306976, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 1.0, 0.0, 0.0, 2.44721364974976, 0.0, 0.973606824874878, 0.0, , 0.0, 0.111803397536278, 0.0, 0.585410177707672, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 44.0800018310547, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.13445711135864, 0.0, 0.0, 3.49827718734741, 0.0, 0.0, 9.0, 0.0, 79.0419998168945, 1.0, 0.0, 4.0517430305481, 0.0, 64.1731872558594, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 52.4556083679199, 0.0, 3.0, 0.0, 0.0, 0.0, 52.0200004577637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.5773503780365, 0.0, 0.0, 0.5, 1.73205077648163, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 1.73205077648163, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0965122357010841, 0.0, 0.0, 0.0, 0.0, -0.0441818237304688, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H8N2S4.Mn%2Fc7-3%288%295-1-2-6-4%289%2910%3B%2Fh1-2H2%2C%28H2%2C5%2C7%2C8%29%28H2%2C6%2C9%2C10%29%3B%2Fq%3B%2B2%2Fp-2, 0.0, 0.577350258827209 0.577350258827209, 0.333333343267441, -0.00831829290837049, 2.0, 0.0, 0.0, 0.40824830532074 0.40824830532074, 0.333333343267441, 0.0959764569997787, 0.0, 0.0, 0.288675129413605 0.288675129413605, -0.0892288982868195, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 38.0, 820130816.0, 0.465306580066681 0.465306580066681, 0.0, 0.0, 0.0, 0.0, 0.329021424055099 0.329021424055099, 0.0, 0.0, 0.0, 13.580246925354, 0.0, 0.0, 0.147142857313156 0.147142857313156, 0.0, 8.10000038146973, 0.0, 0.0, 0.0, 0.0, 13.061224937439, 0.0, 0.0, 0.0, 0.0, 0.0, 8.13001251220703, 0.0, 3.99035477638245, 0.0, , 0.200000002980232, 0.658042848110199, 0.0, 3.31296133995056, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.08593261241913, 0.0, 0.0, 0.0, 0.639045715332031, 0.0, 0.0, 0.0, 0.266068577766418, 0.0, 0.0, 0.0, 0.0, 0.120534285902977, 0.0, 102.319999694824, 0.0, 0.143427431583405, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 56.1531791687012, 0.0, 0.0, 16.3438816070557, 0.0, 0.0, 10000000000.0, 0.0, 749.761352539062, 2.0, 0.0, 31.0417327880859, 0.0, 722.580505371094, 0.0, 0.0, 14.0391292572021, 0.0, 0.0, 0.0, 0.0, 0.0, 708.25146484375, 13.011510848999, 4.45943164825439, 7.0, 508.383331298828, 2.0, 115.069999694824, 0.0, 440.237365722656, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 7.98312759399414, 0.0, 0.0, 0.999000012874603, 4.6258978843689, 0.0, 0.0, 0.0, 0.816496610641479, 2.0, 4.07215070724487, 0.0, 0.0, 1.0, 0.0, 1.81294882297516, 0.0, 1.63299322128296, 0.0, 0.0, 1.10517168045044, 0.0, 0.0, 0.222194135189056, 0.0, 0.0, 0.0, 0.0, -0.143250644207001, 0.0, 0.660683631896973, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H7N3O%2Fc7-9-6%2810%295-1-3-8-4-2-5%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29, 0.0, 1.08925569057465 1.08925569057465, 0.569035589694977, 0.00893210247159004, 0.0, 0.0, 0.0, 1.33925569057465 1.33925569057465, 0.319035589694977, 0.0151965189725161, 0.0, 0.0, 1.37377345561981 1.37377345561981, -0.111980997025967, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 44.0, 90.0, 0.260300755500793 0.260300755500793, 0.0, 0.0, 0.0, 0.0, 0.250304788351059 0.250304788351059, 0.0, 0.0, 0.0, 8.10000038146973, 0.0, 0.0, 0.180872112512589 0.180872112512589, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 2.28571438789368, 0.102062076330185, 0.0, 0.0, 0.0, 0.0589255653321743, 5.24221324920654, 0.0248451996594667, 2.75321388244629, 0.0124225998297334, , 1.0, 0.134364366531372, 1.0, 1.70935046672821, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.07360363006592, 0.0, 0.0170103460550308, 0.0, 0.586622178554535, 0.0, 0.0, 0.0, 0.307913690805435, 0.0, 0.0, 0.0, 0.0, 0.0854465588927269, 0.0, 68.0100021362305, 0.0, 0.034988209605217, 0.0, 0.816496610641479, 0.0, 0.0, 0.0, 0.0, 11.8544330596924, 1.0, 0.0, 11.1906356811523, 0.0, 0.0, 121.0, 0.0, 432.977661132812, 1.0, 0.0, 13.5502986907959, 0.0, 464.920684814453, 0.0, 0.0, 12.8823909759521, 0.0, 0.0, 0.0, 0.0, 0.0, 551.614440917969, 8.49511051177979, 4.32192802429199, 11.0, 459.339813232422, 0.0, 199.039993286133, 0.0, 255.407836914062, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.200000002980232, 0.0, 0.0, 0.0, 2.0, 0.0, 7.39734125137329, 0.0, 0.0, 0.5, 4.8425350189209, 0.0, 1.0, 0.0, 0.402368932962418, 0.0, 3.78362226486206, 0.0, 0.0, 3.30192732810974, 0.0, 3.09851837158203, 0.117851130664349, 4.29827976226807, 1.0, 0.0, 2.03653573989868, 4.0, 0.0, 0.209860280156136, 0.0, 0.0, 0.0, 1.0, -0.0888102501630783, 0.0, 1.41711032390594, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H16N2O3%2Fc1-3-5-6-7-10%289-12%298%2811%2913-4-2%2Fh3-7H2%2C1-2H3, , 1.06903564929962 1.06903564929962, 0.689826428890228, 0.214601621031761, 5.0, 1.0, 0.0, 1.45710682868958 1.45710682868958, 0.344913214445114, -0.166394397616386, , 0.0, 1.3148478269577 1.3148478269577, 0.0677917003631592, , 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 50.0, 159.0, 0.205973833799362 0.205973833799362, 0.0, 0.25, 0.0, 0.0, 0.222784593701363 0.222784593701363, 0.0, 0.70710676908493, 0.0, 13.0, 0.0, 0.0, 0.194541275501251 0.194541275501251, 0.0, 8.59171581268311, 0.0, 0.0, 0.0, 0.0, 6.12244892120361, 0.0, 0.0, 0.0, 0.0, 0.0, 8.15470600128174, 0.0, 4.53354597091675, 0.0, , 0.0, 0.107978478074074, 0.0, 2.61081862449646, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.55059254169464, 0.0, 0.0117851132526994, , 0.87500262260437, 2.0, 0.0, 0.0, 0.42969337105751, 0.0, , , 0.0, 0.238839402794838, 0.0, 58.9700012207031, 0.0, 0.10501516610384, , 0.0, 0.0, 0.0, 0.0, 0.0, 16.0433826446533, 0.0, 0.0, 14.2421007156372, 0.0, , 290.0, 0.111111111938953, 484.14404296875, 1.0, 0.0, 16.2655143737793, 2.81280064582825, 486.997894287109, 0.0, 0.0, 17.2659473419189, 0.0, 0.0, 0.0, , 0.471404522657394, 520.349060058594, 16.5420475006104, 4.70043992996216, 14.0, 512.227355957031, 0.0, 628.049987792969, 0.0, 440.531280517578, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 3.0, 0.0, 10.1044483184814, , , 0.444444447755814, 6.25674867630005, 0.0, 0.0, 0.0, 0.402368932962418, 1.0, 4.43006896972656, 0.0, 0.0, 3.9779007434845, 0.0, 3.25160050392151, 0.117851130664349, 1.67081260681152, 0.0, 0.0, 2.23858118057251, 0.0, 0.0, 0.33426496386528, 0.0, 0.0, 0.0, 2.0, -0.267100095748901, 1.0, 1.11214172840118, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H5N3O4%2Fc4-3%289%296%285-10%291-2%287%298%2Fh1H2%2C%28H2%2C4%2C9%29%28H%2C7%2C8%29, , 1.30333185195923 1.30333185195923, 0.0, 0.0542981773614883, 1.0, 0.0, 0.0, 1.48899304866791 1.48899304866791, 0.0, 0.00625451374799013, , 0.0, 1.64746475219727 1.64746475219727, -0.226648956537247, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 40.0, 72.0, 0.217784494161606 0.217784494161606, 0.0, 1.45096266269684, 0.0, 0.0, 0.159661740064621 0.159661740064621, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.0958766639232635 0.0958766639232635, 0.0, 4.76033067703247, 0.0, 0.0, 0.0, 0.0, 4.48000001907349, 0.0, 0.0, 2.0, 0.0, 0.0, 4.81245756149292, 0.0, 2.17729997634888, 0.0, , 0.333333343267441, 0.185260400176048, 0.0, 1.35664415359497, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.62807685136795, 0.0, 0.0158113874495029, , 0.27054163813591, 0.0, 0.0, 0.0, 0.088755302131176, 0.0, 0.0, , 0.0, 0.0, 0.0, 114.050003051758, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.5, 14.1778402328491, 0.0, 0.0, 11.4082860946655, 0.0, , 127.0, 0.0, 281.257720947266, 2.0, 0.0, 14.957594871521, 0.0, 290.497650146484, 0.0, 0.0, 13.3490324020386, 0.0, 0.0, 0.0, 0.0, 0.0, 331.804321289062, 12.9294204711914, 4.32192802429199, 10.0, 273.773406982422, 0.0, 106.069999694824, 0.0, 190.224716186523, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.0, 1.0, , , 1.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 8.14626407623291, , , 0.400000005960464, 4.57458591461182, 0.0, 0.0, 0.0, 0.90824830532074, 1.0, 4.04189395904541, 0.0, 0.0, 0.0, 0.0, 2.24134039878845, 0.16666667163372, 1.41421353816986, 0.0, 0.0, 1.5157356262207, 0.0, 0.0, 0.38000077009201, 0.0, 0.0, 0.0, 2.0, -0.181469455361366, 1.0, 0.877664387226105, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H6N2O3%2Fc7-5-3-4%288%2810%2911%291-2-6%285%299%2Fh1-3%2C9H%2C7H2, 0.0, 2.12630128860474 2.12630128860474, 0.978095650672913, -0.0412283800542355, 0.0, 0.0, 0.0, 2.02068448066711 2.02068448066711, 0.336287319660187, 0.000828370044473559, 0.0, 0.0, 2.72215032577515 2.72215032577515, -0.0829816088080406, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 52.0, 99.0, 0.42304253578186 0.42304253578186, 0.0, 0.721124768257141, 0.0, 0.0, 0.36538901925087 0.36538901925087, 0.0, 0.0, 0.0, 9.09090900421143, 0.0, 0.0, 0.359964996576309 0.359964996576309, 0.0, 3.59999990463257, 0.0, 0.0, 0.0, 0.0, 2.21453285217285, 0.0680413842201233, 0.0, 1.0, 0.0, 0.175366476178169, 5.52032470703125, 0.0240562614053488, 2.83907103538513, 0.0354054644703865, , 1.65096366405487, 0.259686440229416, 1.0, 2.00022840499878, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.22193264961243, 0.0, 0.0339391753077507, 0.0, 0.655478417873383, 0.0, 0.0, 0.0, 0.391900688409805, 0.0, 0.0, 0.0, 0.0, 0.137391626834869, 0.0, 92.0699996948242, 0.0, 0.0325636155903339, 0.0, 0.0, 0.0, 0.0, 0.0, 0.25, 14.0433835983276, 0.0, 0.0, 12.7713947296143, 0.0, 0.0, 152.0, 0.0, 444.094177246094, 0.0, 0.0, 17.767578125, 0.0, 494.47607421875, 0.0, 0.0, 17.2107582092285, 0.0, 0.0, 0.0, 0.0, 0.0, 636.739379882812, 10.3528184890747, 4.45943164825439, 14.0, 535.416198730469, 0.0, 179.050003051758, 0.0, 258.149932861328, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 8.43072128295898, 0.0, 0.0, 0.5, 5.10906076431274, 0.0, 0.0, 0.0, 0.971404492855072, 0.0, 4.7717170715332, 0.0, 0.0, 1.65096366405487, 0.0, 3.58154726028442, 0.333333343267441, 5.85380077362061, 0.0, 0.0, 2.19468545913696, 3.0, 0.0, 0.179904237389565, 0.0, 0.0, 0.0, 2.0, -0.00769667886197567, 0.0, 1.74405467510223, 0.0, 0.0, 0.0
InChI%3D1S%2FC4Cl6%2Fc5-1%283%287%298%292%286%294%289%2910, 0.0, 2.42848968505859 2.42848968505859, 0.0, -0.0667404532432556, 0.0, 0.0, 6.0, 2.26581168174744 2.26581168174744, 0.0, -0.00285590719431639, 0.0, 0.0, 2.60712242126465 2.60712242126465, -0.0309224259108305, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 42.0, 70.0, 2.15638256072998 2.15638256072998, 0.0, 0.0, 0.0, 0.0, 1.89696860313416 1.89696860313416, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 2.23559403419495 2.23559403419495, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 3.11111116409302, 0.0, 0.0, 0.0, 0.0, 0.0, 8.80336093902588, 0.0, 4.15168046951294, 0.0, , 3.96540641784668, 0.926330506801605, 0.0, 3.80350112915039, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.5200629234314, 0.0, 0.444822877645493, 0.0, 0.926330506801605, 0.0, 0.0, 0.0, 0.321428567171097, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 56.2765197753906, 0.0, 0.0, 20.7104244232178, 0.0, 0.0, 121.0, 0.0, 849.533142089844, 4.0, 0.0, 43.0394058227539, 0.0, 898.04638671875, 0.0, 0.0, 62.2741928100586, 0.0, 0.0, 0.0, 0.0, 0.0, 1062.17541503906, 46.6579627990723, 4.32192802429199, 12.0, 919.217224121094, 0.0, 9.0600004196167, 0.0, 542.155151367188, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 8.309401512146, 0.0, 0.0, 0.400000005960464, 4.46410179138184, 0.0, 0.0, 0.0, 1.05156683921814, 0.0, 4.20626735687256, 0.0, 0.0, 0.0, 0.0, 2.93247842788696, 0.496011286973953, 0.0, 0.0, 0.0, 1.2142448425293, 0.0, 0.0, 0.195325762033463, 0.0, 0.0, 0.0, 0.0, -0.0433839522302151, 0.0, 0.444444447755814, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H6O2%2Fc4-1-3-2-5-3%2Fh3-4H%2C1-2H2, 0.0, 0.20412415266037 0.20412415266037, 0.0, -0.0761098116636276, 2.0, 1.0, 0.0, 0.0 0.0, 0.0, 0.0379717871546745, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 22.0, 25.0, 0.0527046285569668 0.0527046285569668, 0.0, 0.0, 0.0, 0.288675129413605, 0.0 0.0, 0.16666667163372, 0.333333343267441, 0.0, 3.20000004768372, 0.20412415266037, 0.0, 0.0 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.117851130664349, 0.639999985694885, 0.0, 0.0, 1.0, 0.0, 0.0, 2.84702563285828, 0.0, 1.65710175037384, 0.0, , 0.0, 0.117851130664349, 0.0, 1.13791596889496, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.439337313175201, 0.0, 0.0, 0.0, 0.105409257113934, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 32.7599983215332, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.54893827438354, 0.0, 0.0, 5.99627590179443, 0.0, 0.0, 17.0, 0.0, 108.833946228027, 0.0, 0.0, 3.66418385505676, 0.0, 114.96305847168, 0.0, 0.0, 3.10656094551086, 0.0, 0.0, 0.0, 0.0, 0.0, 65.0820922851562, 0.0, 3.32192802429199, 2.0, 32.9785003662109, 0.0, 101.019996643066, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 3.69867062568665, 0.0, 0.0, 0.333333343267441, 2.4318516254425, 0.0, 0.0, 0.0, 0.20412415266037, 0.0, 1.85162401199341, 1.0, 0.0, 0.5, 0.0, 0.985598564147949, 0.0, 2.0, 0.0, 0.0, 0.40824830532074, 0.0, 0.0, 0.277053087949753, 0.0, 0.0, 0.0, 0.0, -0.100388512015343, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H5NO%2Fc1-2-3%284%295%2Fh2H%2C1H2%2C%28H2%2C4%2C5%29, 0.0, 0.40824830532074 0.40824830532074, 0.0, 0.00663221720606089, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, -0.00116690469440073, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 16.0, 19.0, 0.0456435456871986 0.0456435456871986, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.25, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 1.0, 0.0, 0.0, 2.73167061805725, 0.0, 1.17053020000458, 0.0, , 0.0, 0.0645497217774391, 0.0, 0.589364528656006, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.193349167704582, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 44.0800018310547, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.13445711135864, 0.0, 0.0, 4.49827718734741, 0.0, 0.0, 18.0, 0.0, 132.293151855469, 1.0, 0.0, 5.0517430305481, 1.0, 115.714317321777, 0.0, 0.0, 2.49827718734741, 0.0, 0.0, 0.0, 0.0, 0.5, 99.756103515625, 0.0, 3.32192802429199, 2.0, 42.8644485473633, 0.0, 61.0200004577637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 1.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 4.28445720672607, 0.0, 0.0, 0.333333343267441, 2.27005553245544, 1.0, 0.0, 0.0, 0.40824830532074, 0.0, 1.80209517478943, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0985980704426765, 0.0, 0.0, 0.0, 0.0, -0.054764349013567, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC2H7AsO2%2Fc1-3%282%2C4%295%2Fh1-2H3%2C%28H%2C4%2C5%29, 0.0, 0.0 0.0, 0.0, 260.204284667969, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 20.0, 12.0, 0.0 0.0, 0.0, 0.5, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 1.0, 0.0, 0.0, 5.1792516708374, 0.0, 6.63549375534058, 0.0, , 0.0, 2.83644199371338, 0.0, 6.72388172149658, 0.0, 0.0, 0.0, 0.424264073371887, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 37.2999992370605, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 44.4601554870605, 0.0, 0.0, 29.0946464538574, 0.0, 0.0, 16.0, 0.5, 63.6646194458008, 0.0, 0.0, 8.10283660888672, 0.0, 59.2891082763672, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 61.605712890625, 0.0, 3.32192802429199, 0.0, 0.0, 0.0, 101.029998779297, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.5, 0.0, 0.0, 0.5, 2.0, 0.0, 0.0, 0.0, 2.0, 0.0, 3.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 872.053649902344, 0.0, 0.0, 0.0, 1.0, -696.231079101562, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FCH3NO2%2Fc1-2%283%294%2Fh1H3, 0.0, 0.0 0.0, 0.0, -0.0424556247889996, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 12.0, 9.0, 0.0 0.0, 0.0, 0.5, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.33333337306976, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.26371026039124, 0.0, 0.8123619556427, 0.0, , 0.0, 0.0745356008410454, 0.0, 0.439683973789215, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 45.8199996948242, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.90892601013184, 0.0, 0.0, 4.27311706542969, 0.0, 0.0, 9.0, 0.0, 39.6477241516113, 0.0, 0.0, 4.43865299224854, 0.0, 31.6298027038574, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 25.3519535064697, 0.0, 3.0, 0.0, 0.0, 0.0, 24.0300006866455, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.5773503780365, 0.0, 0.0, 0.5, 1.73205077648163, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 1.73205077648163, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.087612047791481, 0.0, 0.0, 0.0, 2.0, -0.00135040213353932, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H11N3.C2H4O2%2Fc1-7-6-9-8-4-2-3-5-10%288%2914-12%289%2915-11%287%2913%3B1-2%283%294%2Fh2-6H%2C1H3%2C%28H3%2C13%2C14%2C15%29%3B1H3%2C%28H%2C3%2C4%29, 0.0, 2.82085967063904 2.82085967063904, 3.0003650188446, 0.0556925646960735, 1.0, 0.0, 0.0, 4.25422382354736 4.25422382354736, 2.17685413360596, -0.0526486597955227, 0.0, 0.0, 6.35921239852905 6.35921239852905, 0.0275416262447834, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 96.0, 1345294336.0, 1.16063928604126 1.16063928604126, 0.0, 0.5, 0.0, 0.0, 1.47568678855896 1.47568678855896, 0.0, 0.0, 0.0, 15.3900003433228, 0.0, 0.0, 1.85676515102386 1.85676515102386, 0.0, 6.63520431518555, 0.0785674229264259, 0.0, 0.0, 0.0, 3.76163268089294, 0.361111104488373, 0.0279508493840694, 1.0, 0.0, 0.667927622795105, 10.8965339660645, 0.119307816028595, 6.08012199401855, 0.183944180607796, , 0.0334925465285778, 0.648588597774506, 0.0, 4.61897754669189, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.00345158576965, 2.0, 0.114944688975811, 0.0, 2.11084699630737, 2.0, 0.0, 0.0, 1.54318761825562, 0.0, 0.0, 0.0, 0.0, 0.876180112361908, 0.0, 86.0699996948242, 0.0, 0.521911025047302, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 21.6289024353027, 3.0, 0.0, 21.4951095581055, 0.0, 0.0, 60000002048.0, 9.99999971718069e-10, 1059.96728515625, 2.0, 0.0, 31.155740737915, 0.000144497375003994, 1249.56689453125, 0.0, 0.0, 25.8280372619629, 0.0, 0.0, 0.0, 0.0, 0.000284846435533836, 1797.73120117188, 18.1909141540527, 5.24792766571045, 24.0, 1604.72766113281, 0.0, 954.049987792969, 0.0, 1106.35412597656, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 1.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.5, 0.0, 1.0, 0.0, 6.0, 0.0, 13.9911994934082, 0.0, 0.0, 0.999000012874603, 8.98607063293457, 0.0, 1.0, 0.0, 1.65425360202789, 0.0, 8.52605056762695, 1.0, 0.0, 4.50879764556885, 0.0, 6.01870203018188, 0.358304977416992, 0.756370961666107, 1.0, 0.0, 5.01561307907104, 4.0, 0.0, 0.332485377788544, 0.0, 0.0, 0.0, 1.0, -0.183610022068024, 0.0, 4.33038425445557, 0.0, 0.0, 0.0
InChI%3D1S%2FC2H4N4%2Fc3-2-4-1-5-6-2%2Fh1H%2C%28H3%2C3%2C4%2C5%2C6%29, 0.0, 0.40824830532074 0.40824830532074, 0.0, 0.0580769814550877, 1.0, 0.0, 0.0, 0.433012694120407 0.433012694120407, 0.0, -0.0119623141363263, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 26.0, 29.0, 0.0754441767930984 0.0754441767930984, 0.0, 0.0, 0.0, 0.0, 0.0662912577390671 0.0662912577390671, 0.0, 0.0, 0.0, 4.16666650772095, 0.0, 0.0, 0.0 0.0, 0.0, 1.63265311717987, 0.144337564706802, 0.0, 0.0, 0.0, 0.979591846466064, 0.144337564706802, 0.0441941730678082, 0.0, 0.0, 0.0, 3.20710682868958, 0.0220970865339041, 1.70710682868958, 0.0, , 0.0, 0.0625, 0.0, 1.03033006191254, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.566941738128662, 0.0, 0.0, 0.0, 0.309359222650528, 0.0, 0.0, 0.0, 0.0441941730678082, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 59.939998626709, 0.0, 0.0, 0.0, 1.31037068367004, 0.0, 0.0, 0.0, 0.0, 7.43995237350464, 0.0, 0.0, 7.19091415405273, 0.0, 0.0, 26.0, 0.0, 212.850067138672, 1.0, 0.0, 8.77232265472412, 0.0, 221.123748779297, 0.0, 0.0, 2.52617335319519, 0.0, 0.0, 0.0, 0.0, 0.0, 248.555191040039, 0.0, 3.58496260643005, 2.0, 56.8419914245605, 0.0, 114.040000915527, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.88988161087036, 0.0, 0.0, 0.0, 0.0, 0.0, 4.40577745437622, 0.0, 0.0, 0.333333343267441, 2.8938467502594, 0.0, 3.0, 0.0, 0.288675129413605, 0.0, 2.38962864875793, 0.0, 0.0, 0.0, 0.0, 1.64384686946869, 0.0, 0.5, 0.0, 0.0, 1.12993609905243, 0.0, 0.0, 0.143685355782509, 0.0, 0.0, 0.0, 0.0, -0.117957346141338, 0.0, 0.288675129413605, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H11N5O2%2Fc1-8-7%2813%295-6%2812%283%2910-14%299-4-11%285%292%2Fh4H%2C1-3H3%2C%28H%2C8%2C13%29, 0.0, 2.49289393424988 2.49289393424988, 1.23774707317352, 0.100071474909782, 0.0, 0.0, 0.0, 4.02668571472168 4.02668571472168, 0.485082000494003, -0.01543696410954, 0.0, 0.0, 5.20361995697021 5.20361995697021, 0.019749078899622, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 66.0, 145.0, 0.75650680065155 0.75650680065155, 0.0, 0.16666667163372, 0.0, 0.0, 0.928751349449158 0.928751349449158, 0.0, 0.0, 0.0, 12.0714282989502, 0.0, 0.0, 0.94315493106842 0.94315493106842, 0.333333343267441, 5.18559551239014, 0.0962250456213951, 0.0, 0.0, 0.0, 2.53439998626709, 0.207336157560349, 0.0288675129413605, 1.0, 0.0, 0.332864671945572, 8.16888046264648, 0.0562112145125866, 3.85864663124084, 0.0653920620679855, , 2.38110160827637, 0.38500115275383, 0.0, 2.68015837669373, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.77034056186676, 0.0, 0.0769962221384048, 0.0, 1.0570262670517, 3.0, 0.0, 0.0, 0.575538814067841, 0.0, 0.0, 0.0, 0.0, 0.213208377361298, 0.0, 83.0800018310547, 0.0, 0.0549275614321232, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.3488788604736, 0.0, 0.0, 16.7412128448486, 0.0, 0.0, 290.0, 0.56462162733078, 643.710205078125, 1.0, 0.0, 22.3222961425781, 0.877205312252045, 731.583679199219, 0.0, 0.0, 24.1250953674316, 0.0, 0.0, 0.0, 0.0, 3.22147059440613, 997.622375488281, 23.8999347686768, 4.80735492706299, 20.0, 918.485229492188, 0.0, 443.070007324219, 0.0, 754.75341796875, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.766309440135956, 0.0, 2.0, 2.49804949760437, 1.0, 0.0, 10.7151784896851, 0.0, 0.0, 0.428571432828903, 6.61259078979492, 0.0, 0.0, 0.0, 0.95430064201355, 2.0, 5.56690359115601, 0.0, 0.0, 0.0, 0.0, 4.78266382217407, 0.298720806837082, 1.31037068367004, 2.0, 0.0, 3.48384523391724, 1.0, 1.0, 0.391011476516724, 0.0, 0.0, 0.0, 1.0, -0.272973328828812, 1.0, 2.33338594436646, 0.0, 0.0, 0.0
InChI%3D1S%2FC14H15N3%2Fc1-10-5-3-4-6-14%2810%2917-16-12-7-8-13%2815%2911%282%299-12%2Fh3-9H%2C15H2%2C1-2H3%2Fb17-16%2B, 0.0, 2.53423357009888 2.53423357009888, 1.90671277046204, -0.0572006329894066, 0.0, 0.0, 0.0, 2.9505307674408 2.9505307674408, 1.12100303173065, -0.00721870036795735, 0.0, 0.0, 3.73431468009949 3.73431468009949, -0.0289668776094913, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 84.0, 280.0, 0.931197345256805 0.931197345256805, 0.0, 0.0, 0.0, 0.0, 0.869828402996063 0.869828402996063, 0.0, 0.0, 0.0, 13.4320983886719, 0.0, 0.0, 0.863490998744965 0.863490998744965, 0.0, 6.25, 0.0, 0.0, 0.0, 0.0, 3.72889423370361, 0.151374712586403, 0.0, 0.0, 0.0, 0.326454192399979, 10.0132293701172, 0.0518340393900871, 5.50127267837524, 0.0889038145542145, , 3.19322633743286, 0.51109379529953, 1.0, 4.02737760543823, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.64204287528992, 0.0, 0.0853803232312202, 0.0, 1.50930058956146, 2.0, 0.0, 0.0, 0.925346910953522, 0.0, 0.0, 0.0, 0.0, 0.398022681474686, 0.0, 50.7400016784668, 0.0, 0.170988291501999, 0.0, 0.365148365497589, 0.0, 0.0, 0.0, 0.0, 18.079963684082, 2.0, 0.0, 18.8585433959961, 0.0, 0.0, 570.0, 0.125, 1000.01885986328, 0.0, 0.0, 25.3294811248779, 3.06061792373657, 1117.15637207031, 0.0, 0.0, 24.9942226409912, 0.0, 0.0, 0.0, 0.0, 3.05521059036255, 1447.97314453125, 16.4956665039062, 5.08746290206909, 23.0, 1318.65185546875, 0.0, 817.030029296875, 0.0, 881.951782226562, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 10.0, 0.0, 12.2507123947144, 0.0, 0.0, 0.5, 8.16470336914062, 0.0, 0.0, 0.0, 1.07789754867554, 2.0, 7.23281669616699, 0.0, 0.0, 5.99731492996216, 0.0, 5.94160413742065, 0.284517794847488, 10.9420738220215, 0.0, 0.0, 4.19293594360352, 7.0, 0.0, 0.127317816019058, 0.0, 0.0, 0.0, 0.0, -0.00605599023401737, 0.0, 3.29048871994019, 0.0, 0.0, 0.0
InChI%3D1S%2FC19H17N3.ClH%2Fc20-16-7-1-13%282-8-16%2919%2814-3-9-17%2821%2910-4-14%2915-5-11-18%2822%2912-6-15%3B%2Fh1-12%2C20H%2C21-22H2%3B1H, 0.0, 2.98060655593872 2.98060655593872, 3.44690561294556, -0.0131193269044161, 0.0, 0.0, 0.0, 4.43136072158813 4.43136072158813, 2.60947561264038, -0.00534767517820001, 0.0, 0.0, 6.58400583267212 6.58400583267212, -0.0140468338504434, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 114.0, 755359680.0, 1.07362878322601 1.07362878322601, 0.0, 0.0, 0.0, 0.0, 1.43117260932922 1.43117260932922, 0.0, 0.0, 0.0, 19.3263893127441, 0.0, 0.0, 1.76343166828156 1.76343166828156, 0.0, 8.90909099578857, 0.0, 0.0, 0.0, 0.0, 4.9886622428894, 0.25, 0.0, 0.0, 0.0, 0.394337564706802, 13.3076486587524, 0.0833333358168602, 7.04145193099976, 0.087630569934845, , 6.25644588470459, 0.58828341960907, 2.0, 5.19636726379395, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.57229280471802, 0.0, 0.0625, 0.0, 2.43646693229675, 0.0, 0.0, 0.0, 1.76880323886871, 0.0, 0.0, 0.0, 0.0, 0.912832200527191, 0.0, 75.8899993896484, 0.300000011920929, 0.575890302658081, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 31.7927169799805, 2.0, 0.0, 24.498556137085, 0.0, 0.0, 22000001024.0, 0.0, 1730.58666992188, 3.0, 0.0, 33.9971122741699, 0.0, 2014.00524902344, 0.0, 0.0, 33.9971122741699, 0.0, 0.0, 0.0, 0.0, 0.0, 2779.34350585938, 30.498556137085, 5.52356195449829, 33.0, 2867.443359375, 0.0, 1258.0400390625, 0.0, 2584.720703125, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 10.0, 0.0, 15.5267333984375, 0.0, 0.0, 0.999000012874603, 10.6310300827026, 4.0, 0.0, 0.0, 1.47713649272919, 0.0, 9.63720607757568, 0.0, 0.0, 17.5260677337646, 0.0, 7.81453371047974, 0.16666667163372, 27.5189113616943, 0.0, 0.0, 6.16699028015137, 8.0, 0.0, 0.0904344841837883, 0.0, 0.0, 0.0, 0.0, -0.0286737103015184, 0.0, 5.49236536026001, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H5NO4%2Fc9-7%2810%295-1-3-6%284-2-5%298%2811%2912%2Fh1-4H%2C%28H%2C9%2C10%29, 0.0, 2.0808801651001 2.0808801651001, 1.18122553825378, -0.00405870797112584, 0.0, 0.0, 0.0, 2.0483078956604 2.0483078956604, 0.829344630241394, 0.00850077532231808, 0.0, 0.0, 1.94267082214355 1.94267082214355, 0.0212623104453087, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 56.0, 126.0, 0.410175681114197 0.410175681114197, 0.0, 1.30139529705048, 0.0, 0.0, 0.351632565259933 0.351632565259933, 0.0, 0.0, 0.0, 10.0833330154419, 0.0, 0.0, 0.284123659133911 0.284123659133911, 0.0, 4.296875, 0.0, 0.0, 0.0, 0.0, 2.77777767181396, 0.0833333358168602, 0.0, 1.0, 0.0, 0.0962250456213951, 5.92857313156128, 0.0277777779847383, 3.08785343170166, 0.0263114888221025, , 1.31037068367004, 0.240780279040337, 0.0, 2.10913634300232, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.32507383823395, 0.0, 0.0276371147483587, 0.0, 0.725723266601562, 0.0, 0.0, 0.0, 0.427226692438126, 0.0, 0.0, 0.0, 0.0, 0.191228032112122, 0.0, 83.120002746582, 0.0, 0.0700797289609909, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 15.4578638076782, 1.0, 0.0, 13.9373016357422, 0.0, 0.0, 206.0, 0.0, 466.31787109375, 1.0, 0.0, 19.2096767425537, 0.0, 519.428588867188, 0.0, 0.0, 17.989107131958, 0.0, 0.0, 0.0, 0.0, 0.0, 659.110595703125, 12.8229207992554, 4.58496236801147, 15.0, 567.530517578125, 0.0, 157.050003051758, 0.0, 319.958770751953, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 9.13782787322998, 0.0, 0.0, 0.428571432828903, 5.60906076431274, 0.0, 0.0, 0.0, 1.0, 0.0, 5.16289377212524, 0.0, 0.0, 3.30192732810974, 0.0, 3.70211458206177, 0.333333343267441, 7.06555128097534, 0.0, 0.0, 2.47831320762634, 4.0, 0.0, 0.25528883934021, 0.0, 0.0, 0.0, 3.0, -0.0867961868643761, 0.0, 1.65307700634003, 0.0, 0.0, 0.0
InChI%3D1S%2FC8Cl4N2%2Fc9-5-3%281-13%296%2810%298%2812%297%2811%294%285%292-14, 0.0, 3.33378648757935 3.33378648757935, 1.30823826789856, -0.0579407624900341, 0.0, 0.0, 4.0, 5.4429349899292 5.4429349899292, 0.438459068536758, -0.23129303753376, 0.0, 0.0, 7.34114503860474 7.34114503860474, 0.00324340490624309, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 68.0, 132.0, 1.95765221118927 1.95765221118927, 0.0, 0.0, 0.0, 0.0, 2.62753510475159 2.62753510475159, 0.0, 0.0, 0.0, 12.0714282989502, 0.0, 0.0, 3.17249298095703 3.17249298095703, 0.0, 4.67999982833862, 0.0, 0.0, 0.0, 0.0, 2.02040815353394, 0.0370370373129845, 0.0, 0.0, 2.0, 0.200526431202888, 9.4300012588501, 0.015625, 4.71500062942505, 0.0864933356642723, , 9.12546539306641, 0.691946685314178, 0.0, 3.74139356613159, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.1923041343689, 0.0, 0.302450954914093, 0.0, 1.89992594718933, 0.0, 0.0, 0.0, 0.889413416385651, 0.0, 0.0, 0.0, 0.0, 0.434356480836868, 0.0, 47.5800018310547, 0.16666667163372, 0.11242251843214, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 45.5709915161133, 2.0, 0.0, 22.1393203735352, 0.0, 0.0, 272.0, 0.0, 1059.82678222656, 0.0, 0.0, 35.9462699890137, 0.0, 1238.884765625, 0.0, 0.0, 64.5110931396484, 0.0, 2.0, 0.0, 0.0, 0.0, 1739.90417480469, 65.2825164794922, 4.80735492706299, 25.0, 1806.13317871094, 0.0, 14.0600004196167, 0.0, 1119.21826171875, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 10.8783149719238, 0.0, 0.0, 0.333333343267441, 6.54011106491089, 0.0, 0.0, 0.0, 1.04196584224701, 0.0, 5.58067274093628, 0.0, 0.0, 0.25, 0.0, 5.30288314819336, 0.536491930484772, 5.24148273468018, 0.0, 0.0, 4.02093982696533, 0.0, 0.0, 0.407686918973923, 0.0, 0.0, 0.0, 0.0, 0.00999404769390821, 0.0, 2.23224329948425, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H10N4S%2Fc10-7-3-1-6%282-4-7%298-5-14-9%2812-8%2913-11%2Fh1-5H%2C10-11H2%2C%28H%2C12%2C13%29, 0.0, 1.79574406147003 1.79574406147003, 1.85044085979462, 0.0471391342580318, 0.0, 0.0, 0.0, 2.40597558021545 2.40597558021545, 0.997713088989258, -0.00299699534662068, 0.0, 0.0, 2.81221532821655 2.81221532821655, -0.00262164371088147, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 1.0, 70.0, 199.0, 0.705163061618805 0.705163061618805, 0.0, 0.0, 0.0, 0.0, 0.883970022201538 0.883970022201538, 0.0, 0.0, 0.0, 10.5155553817749, 0.0, 0.0, 0.856403887271881 0.856403887271881, 0.0, 4.67999982833862, 0.117851130664349, 0.0, 0.0, 0.0, 2.53439998626709, 0.234708055853844, 0.079056940972805, 0.0, 0.0, 0.359116762876511, 8.21341037750244, 0.106834717094898, 4.95408535003662, 0.11815594881773, , 2.18224716186523, 0.381038725376129, 2.0, 3.66234755516052, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.60761785507202, 0.0, 0.0215165745466948, 0.0, 1.75764346122742, 0.0, 0.0, 0.0, 1.06045079231262, 0.0, 0.0, 0.0, 0.0, 0.591315090656281, 0.0, 105.199996948242, 0.111111111938953, 0.302008062601089, 0.0, 1.15470051765442, 0.0, 0.0, 0.0, 0.0, 21.5677051544189, 1.0, 0.0, 19.3642997741699, 0.0, 0.0, 316.0, 0.0, 987.7490234375, 0.0, 0.0, 27.0876274108887, 0.0, 1124.74914550781, 0.0, 0.0, 22.1403484344482, 0.0, 0.0, 0.0, 0.0, 0.0, 1489.68200683594, 17.3366813659668, 4.80735492706299, 17.0, 1194.40673828125, 0.0, 443.049987792969, 0.0, 916.445251464844, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 6.0, 0.0, 9.96625518798828, 0.0, 0.0, 0.444444447755814, 6.79202508926392, 0.0, 1.0, 0.0, 0.826132595539093, 0.0, 5.86735773086548, 0.0, 0.0, 4.25141477584839, 0.0, 4.88631916046143, 0.0833333358168602, 9.28654956817627, 1.0, 0.0, 3.66984391212463, 5.0, 0.0, 0.141709610819817, 0.0, 0.0, 0.0, 0.0, -0.104703083634377, 0.0, 2.75011658668518, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H10N2%2Fc1-5-2-3-6%288%294-7%285%299%2Fh2-4H%2C8-9H2%2C1H3, 0.0, 1.47827804088593 1.47827804088593, 0.504473328590393, -0.00403011636808515, 0.0, 0.0, 0.0, 1.55802857875824 1.55802857875824, 0.0680413842201233, -0.0222198460251093, 0.0, 0.0, 2.07593297958374 2.07593297958374, 0.0129714887589216, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 42.0, 67.0, 0.526780605316162 0.526780605316162, 0.0, 0.0, 0.0, 0.0, 0.428561210632324 0.428561210632324, 0.0, 0.0, 0.0, 7.11111116409302, 0.0, 0.0, 0.475100815296173 0.475100815296173, 0.0, 2.72222232818604, 0.0, 0.0, 0.0, 0.0, 1.70414197444916, 0.0680413842201233, 0.0, 0.0, 0.0, 0.20412415266037, 5.38675117492676, 0.0240562614053488, 2.81538414955139, 0.0518340393900871, , 1.65096366405487, 0.323895931243896, 2.0, 2.11602544784546, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.30329406261444, 0.0, 0.0481125228106976, 0.0, 0.658956468105316, 1.0, 0.0, 0.0, 0.423842519521713, 0.0, 0.0, 0.0, 0.0, 0.117556966841221, 0.0, 52.0400009155273, 0.25, 0.0138888889923692, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.7199764251709, 1.0, 0.0, 9.33237075805664, 0.0, 0.0, 84.0, 0.0, 464.611755371094, 0.0, 0.0, 12.664740562439, 1.14471423625946, 502.644897460938, 0.0, 0.0, 10.8309259414673, 0.0, 0.0, 0.0, 0.0, 1.5, 632.385803222656, 4.69235849380493, 4.16992521286011, 10.0, 483.969482421875, 0.0, 289.019989013672, 0.0, 168.950820922852, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 6.85337114334106, 0.0, 0.0, 0.400000005960464, 4.19837713241577, 0.0, 0.0, 0.0, 0.760079681873322, 0.0, 3.87279200553894, 0.0, 0.0, 1.65096366405487, 0.0, 2.86036610603333, 0.16666667163372, 5.85380077362061, 0.0, 0.0, 1.81676292419434, 3.0, 0.0, 0.0551652945578098, 0.0, 0.0, 0.0, 0.0, -0.0140979457646608, 0.0, 1.33160018920898, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H8N2.2ClH%2Fc7-5-3-1-2-4-6%285%298%3B%3B%2Fh1-4H%2C7-8H2%3B2%2A1H, 0.0, 1.13807117938995 1.13807117938995, 0.333333343267441, -0.0292183607816696, 0.0, 0.0, 0.0, 1.04044008255005 1.04044008255005, 0.0833333358168602, 0.0122258914634585, 0.0, 0.0, 1.13807117938995 1.13807117938995, -0.000414981157518923, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 36.0, -1179869184.0, 0.288675129413605 0.288675129413605, 0.0, 0.0, 0.0, 0.0, 0.222222223877907 0.222222223877907, 0.0, 0.0, 0.0, 12.65625, 0.0, 0.0, 0.19245009124279 0.19245009124279, 0.0, 5.76000022888184, 0.0, 0.0, 0.0, 0.0, 3.70247936248779, 0.0833333358168602, 0.0, 0.0, 0.0, 0.16666667163372, 6.9135913848877, 0.0277777779847383, 2.40470051765442, 0.0320750139653683, , 1.0, 0.16666667163372, 2.0, 1.62891709804535, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.996011316776276, 0.0, 0.0277777779847383, 0.0, 0.51089733839035, 0.0, 0.0, 0.0, 0.286372244358063, 0.0, 0.0, 0.0, 0.0, 0.0641500279307365, 0.0, 52.0400009155273, 0.333333343267441, 0.00925925932824612, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 26.1454830169678, 0.0, 0.0, 8.33237075805664, 0.0, 0.0, 17000000512.0, 0.0, 392.201995849609, 0.0, 0.0, 10.664740562439, 0.0, 401.463745117188, 0.0, 0.0, 9.02472877502441, 0.0, 0.0, 0.0, 0.0, 0.0, 480.260833740234, 2.33237051963806, 4.32192802429199, 8.0, 343.092742919922, 0.0, 234.039993286133, 0.0, 75.6475601196289, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 5.98312759399414, 0.0, 0.0, 0.999000012874603, 3.80453038215637, 0.0, 0.0, 0.0, 0.471404522657394, 0.0, 3.23902487754822, 0.0, 0.0, 3.96540641784668, 0.0, 2.54033637046814, 0.16666667163372, 4.29827976226807, 0.0, 0.0, 1.50166130065918, 4.0, 0.0, 0.0592666864395142, 0.0, 0.0, 0.0, 0.0, -0.0122258914634585, 0.0, 1.02437734603882, 0.0, 0.0, 0.0
InChI%3D1S%2FC15H22O3%2Fc1-11-6-7-12%282%2913%2810-11%2918-9-5-8-15%283%2C4%2914%2816%2917%2Fh6-7%2C10H%2C5%2C8-9H2%2C1-4H3%2C%28H%2C16%2C17%29, 0.0, 4.08338117599487 4.08338117599487, 1.36887848377228, 0.00638552056625485, 3.0, 1.0, 0.0, 3.41538190841675 3.41538190841675, 0.805052697658539, 0.0134964166209102, 0.0, 0.0, 3.67450094223022 3.67450094223022, 0.00731182703748345, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 86.0, 290.0, 1.70910513401031 1.70910513401031, 0.0, 0.5, 0.0, 0.0, 1.47411918640137 1.47411918640137, 0.0, 0.333333343267441, 0.0, 16.0555553436279, 0.0, 0.0, 1.23479688167572 1.23479688167572, 0.0, 6.96320009231567, 0.0, 1.0, 0.0, 0.0, 5.26748991012573, 0.0680413842201233, 0.0, 1.0, 0.0, 0.184195280075073, 11.6170816421509, 0.0240562614053488, 6.26211738586426, 0.0579334497451782, , 1.68811810016632, 1.37268006801605, 0.0, 5.4100022315979, 0.0, 1.05076396465302, 0.0, 0.176776692271233, 0.0, 0.0, 3.12628388404846, 0.0, 0.144213959574699, 0.0, 1.66597950458527, 4.0, 0.0322748608887196, 0.0, 1.07921051979065, 0.0, 0.0, 0.0, 0.0, 0.459984123706818, 0.0, 46.5299987792969, 0.0, 0.250452399253845, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.3234062194824, 2.0, 0.0, 19.3283672332764, 0.0, 0.0, 705.0, 0.982593178749084, 985.068664550781, 1.0, 0.0, 27.434928894043, 5.74553537368774, 1079.22595214844, 1.0, 0.0, 27.3209190368652, 0.0, 0.0, 0.0, 0.0, 4.08059597015381, 1394.06860351562, 17.6604595184326, 5.16992521286011, 24.0, 1252.08801269531, 0.0, 1294.03002929688, 1.4622209072113, 877.153076171875, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 13.7591485977173, 0.0, 0.0, 0.5, 8.32620429992676, 0.0, 0.0, 0.0, 2.03019595146179, 0.0, 8.04465103149414, 0.0, 0.20412415266037, 4.92238664627075, 0.0, 5.83364200592041, 0.814774572849274, 8.35253810882568, 0.0, 0.0, 3.32828211784363, 3.0, 0.0, 0.351485431194305, 0.20412415266037, 1.68811810016632, 0.0, 1.0, -0.176328077912331, 0.0, 2.62179136276245, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H14N4.4ClH%2Fc13-9-3-1-7%285-11%289%2915%298-2-4-10%2814%2912%2816%296-8%3B%3B%3B%3B%2Fh1-6H%2C13-16H2%3B4%2A1H, 0.0, 3.11453151702881 3.11453151702881, 2.18593811988831, -0.0583669804036617, 0.0, 0.0, 0.0, 3.48781371116638 3.48781371116638, 1.32471287250519, 0.0253493413329124, 0.0, 0.0, 4.9586329460144 4.9586329460144, 0.00483285263180733, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 82.0, -359738400.0, 0.936467051506042 0.936467051506042, 0.0, 0.0, 0.0, 0.0, 0.945904433727264 0.945904433727264, 0.0, 0.0, 0.0, 24.9826984405518, 0.0, 0.0, 1.09223628044128 1.09223628044128, 0.0, 10.6875, 0.0, 0.0, 0.0, 0.0, 6.11999988555908, 0.136082768440247, 0.0, 0.0, 0.0, 0.350732952356339, 13.6724824905396, 0.0481125228106976, 4.88076829910278, 0.0796118155121803, , 5.26933193206787, 0.5, 4.0, 3.6873927116394, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.50690865516663, 0.0, 0.0833333358168602, 0.0, 1.50863575935364, 0.0, 0.0, 0.0, 1.04163086414337, 0.0, 0.0, 0.0, 0.0, 0.531730711460114, 0.0, 104.080001831055, 1.04277527332306, 0.264090657234192, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 52.2909660339355, 2.0, 0.0, 17.6647415161133, 0.0, 0.0, 70000001024.0, 0.0, 1081.42321777344, 0.0, 0.0, 25.3294811248779, 0.0, 1207.34753417969, 0.0, 0.0, 26.0494575500488, 0.0, 0.0, 0.0, 0.0, 0.0, 1646.71838378906, 16.9971122741699, 5.32192802429199, 24.0, 1566.87707519531, 0.0, 845.080017089844, 0.0, 1076.45288085938, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 11.7067422866821, 0.0, 0.0, 0.999000012874603, 7.57538747787476, 0.0, 0.0, 0.0, 1.27614235877991, 0.0, 7.05539989471436, 0.0, 0.0, 5.46963167190552, 0.0, 5.94414329528809, 0.416666656732559, 15.0080585479736, 0.0, 0.0, 4.03467750549316, 6.0, 0.0, 0.118533372879028, 0.0, 0.0, 0.0, 0.0, -0.0244492888450623, 0.0, 3.39886808395386, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H6O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-6H, 0.0, 1.29197371006012 1.29197371006012, 1.43704426288605, 0.0508396066725254, 2.0, 1.0, 0.0, 1.95425176620483 1.95425176620483, 0.811929047107697, -0.0131265455856919, 0.0, 0.0, 2.71106457710266 2.71106457710266, -0.0113057093694806, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 56.0, 108.0, 0.441986858844757 0.441986858844757, 0.0, 0.0, 0.0, 0.0, 0.569400668144226 0.569400668144226, 0.0, 0.5, 0.0, 7.63888883590698, 0.0, 0.0, 0.627074122428894 0.627074122428894, 0.0, 3.1640625, 0.0, 0.0, 0.0, 0.0, 1.60000002384186, 0.151374712586403, 0.0, 0.0, 0.0, 0.282117545604706, 6.04011106491089, 0.0532932952046394, 3.64682960510254, 0.0708615332841873, , 1.65096366405487, 0.219913199543953, 0.0, 2.58179330825806, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.79486393928528, 0.0, 0.0240562614053488, 0.0, 1.22033607959747, 0.0, 0.0, 0.0, 0.839010834693909, 0.0, 0.0, 0.0, 0.0, 0.366250514984131, 0.0, 26.2999992370605, 0.0, 0.177149802446365, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.5489377975464, 1.0, 0.0, 12.9962759017944, 0.0, 0.0, 144.0, 0.0, 552.516235351562, 1.0, 0.0, 18.1028366088867, 0.0, 629.067138671875, 0.0, 0.0, 15.6604595184326, 0.0, 0.0, 0.0, 0.0, 0.0, 830.081115722656, 8.99627590179443, 4.45943164825439, 14.0, 700.335083007812, 0.0, 290.019989013672, 0.0, 352.019012451172, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.0, 0.0, 7.68179845809937, 0.0, 0.0, 0.5, 5.36017322540283, 0.0, 0.0, 0.0, 0.622008442878723, 0.0, 4.72284078598022, 0.0, 0.0, 6.63197565078735, 0.0, 3.80187177658081, 0.0833333358168602, 8.44211196899414, 0.0, 0.0, 3.1080687046051, 4.0, 0.0, 0.262897163629532, 0.0, 0.0, 0.0, 1.0, -0.156746551394463, 0.0, 2.60960268974304, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H10N2O3%2Fc1-6%285-9%292-4%288%293-7%2Fh4%2C7-8H%2C2-3H2%2C1H3, , 0.910683631896973 0.910683631896973, 0.117851130664349, -0.078432209789753, 2.0, 0.0, 0.0, 0.902368903160095 0.902368903160095, 0.0, 0.0158358979970217, , 0.0, 0.922589004039764 0.922589004039764, 0.00314717483706772, , 0.0, 1.0, 0.0, 0.0, 0.0, 34.0, 72.0, 0.254854738712311 0.254854738712311, 0.0, 0.669432938098907, 0.0, 0.0, 0.236957997083664 0.236957997083664, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.138024941086769 0.138024941086769, 0.0, 4.83950614929199, 0.0, 0.0, 0.0, 0.0, 4.5, 0.0, 0.0, 2.0, 0.0, 0.0, 5.18866634368896, 0.0, 2.53693866729736, 0.0, , 0.0, 0.270520806312561, 0.0, 1.75827062129974, 0.0, 0.0, , 0.0, , 0.0, 0.825106739997864, 0.0, 0.0, , 0.396067321300507, 1.0, 0.0, 0.0, 0.122032262384892, , , , 0.0, 0.0105409258976579, 0.0, 73.129997253418, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 12.0433835983276, 0.0, , 9.91000843048096, 0.0, , 100.0, 0.0, 274.317718505859, 0.0, 0.0, 11.0482978820801, 0.70710676908493, 274.027954101562, 0.0, 0.0, 10.6565818786621, 0.0, 0.0, 0.0, , 0.333333343267441, 291.339630126953, 7.93730115890503, 4.16992521286011, 8.0, 225.49836730957, 0.0, 252.050003051758, 0.0, 153.703948974609, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 2.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 7.27602100372314, , , 0.5, 4.20190715789795, 0.0, 0.0, 0.0, 0.577350258827209, 1.0, 3.26254224777222, 1.0, 0.0, 0.5, , 2.19858479499817, 0.0, 2.0, 0.0, 0.0, 1.02022004127502, 0.0, 0.0, 0.253093600273132, 0.0, 0.0, 0.0, 1.0, -0.0632299184799194, 1.0, 0.569035589694977, 0.0, 0.0, 0.0
InChI%3D1S%2FC14H12FNO%2Fc1-10%2817%2916-14-8-4-12%285-9-14%2911-2-6-13%2815%297-3-11%2Fh2-9H%2C1H3%2C%28H%2C16%2C17%29, 0.0, 1.99328589439392 1.99328589439392, 2.15834188461304, 0.00183405040297657, 0.0, 0.0, 0.0, 2.82330298423767 2.82330298423767, 1.5127124786377, -0.00253596203401685, 0.0, 0.0, 3.48612022399902 3.48612022399902, -0.00318893813528121, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 0.0, 84.0, 294.0, 0.63097357749939 0.63097357749939, 0.0, 0.0, 0.0, 0.0, 0.765062570571899 0.765062570571899, 0.0, 0.0, 0.0, 13.4320983886719, 0.0, 0.0, 0.775111854076385 0.775111854076385, 0.0, 6.25, 0.0, 0.0, 0.0, 0.0, 4.0, 0.16666667163372, 0.0, 1.0, 0.0, 0.23848395049572, 9.39119338989258, 0.0555555559694767, 5.2525372505188, 0.0506993904709816, , 2.66940569877625, 0.404196351766586, 0.0, 3.71278405189514, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.33576250076294, 0.0, 0.0277777779847383, 0.0, 1.55758905410767, 1.0, 0.0, 0.0, 1.02642393112183, 0.0, 0.0, 0.0, 0.0, 0.497108727693558, 0.0, 32.5900001525879, 0.0, 0.293966561555862, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.6365013122559, 2.0, 0.0, 19.2462482452393, 0.0, 0.0, 578.0, 0.0, 958.198059082031, 1.0, 0.0, 26.5476837158203, 1.29867160320282, 1084.14855957031, 0.0, 0.0, 23.8280334472656, 0.0, 0.0, 0.0, 0.0, 1.19921183586121, 1422.65295410156, 19.4121551513672, 5.08746290206909, 22.0, 1320.46655273438, 0.0, 628.030029296875, 0.0, 1015.91485595703, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 12.2507123947144, 0.0, 0.0, 0.454545468091965, 8.14786720275879, 0.0, 0.0, 0.0, 1.23438096046448, 1.0, 7.43030643463135, 0.0, 0.0, 9.90748405456543, 0.0, 5.42332935333252, 0.0833333358168602, 14.960919380188, 0.0, 0.0, 4.31927299499512, 8.0, 0.0, 0.232618570327759, 0.0, 0.0, 0.0, 0.0, -0.111382842063904, 0.0, 3.48821902275085, 0.0, 1.0, 0.0
InChI%3D1S%2FC6H7ClN2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3H%2C8-9H2, 0.0, 1.47827804088593 1.47827804088593, 0.504473328590393, -0.0227998718619347, 0.0, 0.0, 1.0, 1.55802857875824 1.55802857875824, 0.0680413842201233, -0.0152000021189451, 0.0, 0.0, 2.07593297958374 2.07593297958374, -0.0146148819476366, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 42.0, 67.0, 0.48582935333252 0.48582935333252, 0.0, 0.0, 0.0, 0.0, 0.461769163608551 0.461769163608551, 0.0, 0.0, 0.0, 7.11111116409302, 0.0, 0.0, 0.50458174943924 0.50458174943924, 0.0, 2.72222232818604, 0.0, 0.0, 0.0, 0.0, 1.70414197444916, 0.0680413842201233, 0.0, 0.0, 0.0, 0.20412415266037, 5.5206446647644, 0.0240562614053488, 2.88233089447021, 0.0550550147891045, , 1.65096366405487, 0.355648905038834, 2.0, 2.20967483520508, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.28393113613129, 0.0, 0.0277777779847383, 0.0, 0.726155757904053, 0.0, 0.0, 0.0, 0.444296807050705, 0.0, 0.0, 0.0, 0.0, 0.13738726079464, 0.0, 52.0400009155273, 0.333333343267441, 0.00801875349134207, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.4327297210693, 0.0, 0.0, 11.2841081619263, 0.0, 0.0, 84.0, 0.0, 496.256896972656, 0.0, 0.0, 16.5682163238525, 0.0, 538.678894042969, 0.0, 0.0, 14.9282035827637, 0.0, 0.0, 0.0, 0.0, 0.0, 672.976928710938, 8.72638034820557, 4.16992521286011, 10.0, 512.916015625, 0.0, 184.029998779297, 0.0, 180.876937866211, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 6.85337114334106, 0.0, 0.0, 0.400000005960464, 4.19837713241577, 0.0, 0.0, 0.0, 0.760079681873322, 0.0, 3.87279200553894, 0.0, 0.0, 1.65096366405487, 0.0, 2.86036610603333, 0.16666667163372, 5.85380077362061, 0.0, 0.0, 1.81676292419434, 3.0, 0.0, 0.101354710757732, 0.0, 0.0, 0.0, 0.0, -0.0194577928632498, 0.0, 1.33160018920898, 0.0, 0.0, 0.0
InChI%3D1S%2FC18H15N3O%2Fc1-21%2820-22%2916-10-7-14%288-11-16%296-9-15-12-13-19-18-5-3-2-4-17%2815%2918%2Fh2-13H%2C1H3, 0.0, 2.90295052528381 2.90295052528381, 3.29430818557739, 0.0261276550590992, 0.0, 0.0, 0.0, 4.27843523025513 4.27843523025513, 2.38086462020874, -0.0282977726310492, 0.0, 0.0, 5.36507081985474 5.36507081985474, -0.00674645183607936, 0.0, 0.0, 0.857142865657806, 0.0, 0.0, 0.0, 112.0, 483.0, 1.04592084884644 1.04592084884644, 0.0, 0.0, 0.0, 0.0, 1.24157202243805 1.24157202243805, 0.0, 0.0, 0.0, 16.84375, 0.0, 0.0, 1.27607667446136 1.27607667446136, 0.0, 8.203125, 0.0, 0.0, 0.0, 0.0, 4.30839014053345, 0.234708055853844, 0.0, 0.0, 0.0, 0.358413755893707, 12.1780920028687, 0.0741894543170929, 6.96660995483398, 0.0870464593172073, , 3.10267162322998, 0.490812480449677, 0.0, 4.94745016098022, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.52734279632568, 2.0, 0.0760234966874123, 0.0, 2.29762434959412, 1.0, 0.0, 0.0, 1.53420889377594, 0.0, 0.0, 0.0, 0.0, 0.822062134742737, 0.0, 45.560001373291, 0.0, 0.47557857632637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.8544330596924, 3.0, 0.0, 25.5781955718994, 0.0, 0.0, 1191.0, 0.0, 1435.34948730469, 0.0, 0.0, 33.7167625427246, 1.79623365402222, 1655.52612304688, 0.0, 0.0, 34.8274803161621, 0.0, 0.0, 0.0, 0.0, 0.846259415149689, 2219.69262695312, 27.4951095581055, 5.45943164825439, 33.0, 2187.44189453125, 0.0, 1059.0400390625, 0.0, 1679.07763671875, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0909090936183929, 2.0, 0.0, 0.63245552778244, 11.0, 0.0, 15.3635969161987, 0.0, 0.0, 0.461538463830948, 10.7751884460449, 2.0, 0.0, 0.0, 1.07590913772583, 1.0, 9.14306259155273, 0.0, 0.0, 17.3592090606689, 0.0, 8.00900554656982, 0.253933906555176, 19.2660350799561, 1.0, 0.0, 6.25913381576538, 10.0, 0.0, 0.12542037665844, 0.0, 0.0, 0.0, 1.0, -0.063168928027153, 1.0, 5.05553340911865, 0.0, 0.0, 0.0
InChI%3D1S%2FC24H26FNO4%2Fc1-15%282%2926-21-6-4-3-5-20%2821%2924%2816-7-9-17%2825%2910-8-16%2922%2826%2912-11-18%2827%2913-19%2828%2914-23%2829%2930%2Fh3-12%2C15%2C18-19%2C27-28H%2C13-14H2%2C1-2H3%2C%28H%2C29%2C30%29%2Fb12-11%2B%2Ft18-%2C19-%2Fm1%2Fs1, 0.0, 4.3781533241272 4.3781533241272, 5.17554903030396, -0.010379902087152, 2.0, 0.0, 0.0, 7.96338081359863 7.96338081359863, 3.88387799263, -0.143016010522842, 0.0, 0.0, 11.2098627090454 11.2098627090454, 0.0876747816801071, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 154.0, 680.0, 1.81577932834625 1.81577932834625, 0.0, 1.47084140777588, 0.0, 0.0, 2.78171920776367 2.78171920776367, 0.0, 0.0, 0.0, 24.638671875, 0.0, 0.0, 3.48810410499573 3.48810410499573, 0.0, 11.2276544570923, 0.0641500279307365, 0.0, 0.0, 0.0, 6.29250907897949, 0.376823514699936, 0.0279508493840694, 3.0, 0.0, 0.725091516971588, 16.9948348999023, 0.134080708026886, 9.92558193206787, 0.215239092707634, , 11.4635934829712, 1.03190267086029, 0.0, 7.6618857383728, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.99795293807983, 2.0, 0.175464376807213, 0.0, 3.76767516136169, 2.0, 0.0, 0.0, 2.56395626068115, 0.0, 0.0, 0.0, 0.0, 1.59026515483856, 0.0, 82.6900024414062, 0.0, 1.01688277721405, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 34.9599075317383, 3.0, 0.0, 34.4087104797363, 0.0, 0.0, 2476.0, 0.5, 2140.6865234375, 1.0, 0.0, 49.9277038574219, 4.16670608520508, 2554.412109375, 0.0, 0.0, 50.8208618164062, 0.0, 0.0, 0.0, 0.0, 4.53799104690552, 3689.302734375, 56.2303924560547, 5.90689039230347, 47.0, 3932.2548828125, 0.0, 2494.06005859375, 0.0, 3923.02954101562, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 16.0, 0.0, 21.8361339569092, 0.0, 0.0, 0.5, 14.2737646102905, 2.0, 0.0, 0.0, 2.40474414825439, 0.0, 13.347635269165, 3.0, 0.0, 14.8815784454346, 0.0, 9.89836502075195, 0.403665900230408, 30.4315414428711, 0.0, 0.0, 8.96189975738525, 8.0, 1.0, 0.537449479103088, 0.0, 0.0, 0.0, 1.0, -0.187873974442482, 0.0, 6.99062824249268, 0.0, 1.0, 0.0
InChI%3D1S%2FC9H10N4O4%2Fc1-6-5-12%289%2814%2911-6%2910-4-7-2-3-8%2817-7%2913%2815%2916%2Fh2-4%2C6H%2C5H2%2C1H3%2C%28H%2C11%2C14%29%2Fb10-4%2B, 0.0, 2.72668361663818 2.72668361663818, 1.75651609897614, -0.0906855836510658, 1.0, 0.0, 0.0, 3.53570580482483 3.53570580482483, 1.01843369007111, 0.218802571296692, 0.0, 0.0, 3.72042369842529 3.72042369842529, -0.0543811060488224, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 86.0, 280.0, 0.635553658008575 0.635553658008575, 0.0, 0.550321221351624, 0.0, 0.0, 0.745633065700531 0.745633065700531, 0.0, 0.793700516223907, 0.0, 13.4320983886719, 0.0, 0.0, 0.56187242269516 0.56187242269516, 0.16666667163372, 5.76000022888184, 0.214076176285744, 0.0, 0.0, 0.0, 3.48444437980652, 0.411866188049316, 0.0748455226421356, 1.0, 0.0, 0.523541152477264, 8.97732067108154, 0.112196035683155, 4.88540649414062, 0.0852115377783775, , 1.55034387111664, 0.456020027399063, 0.0, 3.5379114151001, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.12078309059143, 0.0, 0.0229262411594391, 0.0, 1.37161183357239, 1.0, 0.0, 0.0, 0.666770100593567, 0.0, 0.0, 0.0, 0.0, 0.272777885198593, 0.0, 107.150001525879, 0.0, 0.140730574727058, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 21.5378284454346, 0.0, 0.0, 21.4603080749512, 0.0, 0.0, 580.0, 0.0, 770.659240722656, 1.0, 0.0, 30.784797668457, 0.822267234325409, 879.804382324219, 0.0, 0.0, 25.3413372039795, 0.0, 0.0, 0.0, 0.0, 1.15470051765442, 1178.69421386719, 19.5431289672852, 5.08746290206909, 20.0, 882.791687011719, 0.0, 512.080017089844, 0.0, 707.06787109375, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 1.33748066425323, 4.0, 0.0, 12.4138488769531, 0.0, 0.0, 0.5, 8.05855083465576, 1.0, 0.0, 0.0, 1.39516818523407, 2.0, 7.57446479797363, 1.0, 0.0, 2.10257887840271, 0.0, 5.75431346893311, 0.284517794847488, 5.89347696304321, 0.0, 0.0, 4.50595331192017, 2.0, 0.0, 0.504103004932404, 0.0, 0.0, 1.0, 2.0, -0.25878518819809, 1.0, 2.8917977809906, 0.0, 0.0, 0.0
InChI%3D1S%2FC2H2ClF3%2Fc3-1-2%284%2C5%296%2Fh1H2, 0.0, 1.06066012382507 1.06066012382507, 0.0, -0.0974597111344337, 1.0, 0.0, 1.0, 0.353553384542465 0.353553384542465, 0.0, 0.0759299248456955, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 24.0, 24.0, 0.171810805797577 0.171810805797577, 0.0, 0.0, 0.0, 0.0, 0.0216461252421141 0.0216461252421141, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.63265311717987, 0.0, 0.0, 0.0, 0.0, 5.33333349227905, 0.0, 0.0, 0.0, 0.0, 0.0, 3.47489356994629, 0.0, 1.72228384017944, 0.0, , 0.0, 0.178520336747169, 0.0, 1.01606941223145, 0.0, 0.0, 0.0, 0.0190900880843401, 0.0, 0.0, 0.454568654298782, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.2188854217529, 0.0, 0.0, 8.69709300994873, 0.0, 0.0, 28.0, 0.0, 100.388793945312, 0.0, 0.0, 15.2032251358032, 0.0, 92.6189575195312, 1.0, 0.0, 14.0070428848267, 0.0, 0.0, 0.0, 0.0, 0.0, 97.860595703125, 0.0, 3.58496260643005, 3.0, 40.4851608276367, 0.0, 19.0400009155273, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.207106590271, 0.0, 0.0, 0.333333343267441, 2.56066012382507, 0.0, 0.0, 0.0, 1.56066012382507, 0.0, 2.91421365737915, 0.0, 0.353553384542465, 0.0, 0.0, 1.06066012382507, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.338495314121246, 0.0, 1.0, 0.0, 0.0, -0.147717878222466, 0.0, 0.0, 0.0, 3.0, 0.0
InChI%3D1S%2FC6H9NO6.3Na.H2O%2Fc8-4%289%291-7%282-5%2810%2911%293-6%2812%2913%3B%3B%3B%3B%2Fh1-3H2%2C%28H%2C8%2C9%29%28H%2C10%2C11%29%28H%2C12%2C13%29%3B%3B%3B%3B1H2%2Fq%3B3%2A%2B1%3B%2Fp-3, 0.0, 1.06066012382507 1.06066012382507, 1.15470051765442, -0.268628835678101, 3.0, 0.0, 0.0, 1.9112309217453 1.9112309217453, 0.0, 0.789635539054871, 0.0, 0.0, 1.74740028381348 1.74740028381348, -0.12127336114645, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 54.0, -1769803776.0, 0.237170830368996 0.237170830368996, 0.0, 3.1143274307251, 0.0, 0.0, 0.215409994125366 0.215409994125366, 0.0, 0.0, 0.0, 30.2222213745117, 0.0, 0.0, 0.096824586391449 0.096824586391449, 0.0, 16.0, 0.0, 0.0, 0.0, 0.0, 21.7777786254883, 0.0, 0.0, 0.0, 0.0, 0.0, 5.79327869415283, 0.0, 2.62171602249146, 0.0, , 0.75, 0.15811388194561, 0.0, 1.57817471027374, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.864469587802887, 0.0, 0.0, 0.0, 0.441566377878189, 0.0, 0.0, 0.0, 0.136930644512177, 0.0, 0.0, 0.0, 0.0, 0.0279508493840694, 0.0, 123.629997253418, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 30.7726268768311, 0.0, 0.0, 14.4911079406738, 0.0, 0.0, 57999998976.0, 0.0, 417.852142333984, 3.0, 0.0, 19.8145141601562, 0.0, 439.610534667969, 0.0, 0.0, 15.3207960128784, 0.0, 0.0, 0.0, 0.0, 0.0, 514.935607910156, 18.9851036071777, 5.08746290206909, 12.0, 442.473815917969, 0.0, 128.110000610352, 0.0, 433.440979003906, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.430721282959, 0.0, 0.0, 0.999000012874603, 5.9135913848877, 0.0, 0.0, 0.0, 1.42886900901794, 0.0, 5.75467252731323, 0.0, 0.0, 1.5, 0.0, 2.41421365737915, 0.0, 4.32674884796143, 0.0, 0.0, 2.28867506980896, 0.0, 0.0, 0.960497677326202, 0.0, 0.0, 0.0, 3.0, -0.480450510978699, 1.0, 1.15470051765442, 0.0, 0.0, 0.0
InChI%3D1S%2FH4N2.H2O4S%2Fc1-2%3B1-5%282%2C3%294%2Fh1-2H2%3B%28H2%2C1%2C2%2C3%2C4%29, 0.0, 0.0 0.0, 0.0, 0.0727775692939758, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 22.0, 1410065408.0, 0.0 0.0, 0.0, 3.0, 1.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 10.0799999237061, 0.0, 0.0, 0.0 0.0, 0.0, 4.16666650772095, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 2.0, 0.0, 0.0, 3.73273420333862, 0.0, 1.81689238548279, 0.0, , 0.0, 0.270859599113464, 1.0, 0.951187908649445, 0.0, 0.0, 0.0, 0.0289036650210619, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 135.020004272461, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 16.9456043243408, 0.0, 0.0, 15.5855855941772, 0.0, 0.0, 10000000000.0, 0.0, 170.748794555664, 0.0, 0.0, 10.6468143463135, 0.0, 140.349899291992, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 165.526519775391, 0.0, 3.80735492706299, 0.0, 0.0, 0.0, 79.0699996948242, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.5, 0.0, 0.0, 0.999000012874603, 3.0, 0.0, 0.0, 0.0, 2.0, 0.0, 3.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.269426554441452, 0.0, 0.0, 0.0, 2.0, -0.207490846514702, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC18H16N2O7S2.2Na%2Fc1-10-3-6-15%2811%282%297-10%2919-20-17-14-5-4-13%2828%2822%2C23%2924%298-12%2814%299-16%2818%2817%2921%2929%2825%2C26%2927%3B%3B%2Fh3-9%2C21H%2C1-2H3%2C%28H%2C22%2C23%2C24%29%28H%2C25%2C26%2C27%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb20-19%2B%3B%3B, 0.0, 6.7586030960083 6.7586030960083, 4.8912935256958, -0.0709871724247932, 0.0, 0.0, 0.0, 9.76192855834961 9.76192855834961, 3.73945641517639, -0.203716397285461, 0.0, 0.0, 13.3850498199463 13.3850498199463, 0.160473957657814, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 158.0, 1870457856.0, 1.93606865406036 1.93606865406036, 0.0, 4.30676078796387, 2.0, 0.0, 2.19701457023621 2.19701457023621, 0.0, 0.0, 0.0, 29.0322589874268, 0.0, 0.0, 2.56185221672058 2.56185221672058, 0.0, 10.9505205154419, 0.0, 0.0, 0.0, 0.0, 6.75667905807495, 0.181443691253662, 0.0, 1.0, 0.0, 0.469878643751144, 15.2503061294556, 0.0661547183990479, 9.12150955200195, 0.150193870067596, , 10.4920253753662, 1.22409343719482, 0.0, 7.24083852767944, 0.0, 0.0, 0.0, 0.0323152802884579, 0.0, 0.0, 4.68170356750488, 2.0, 0.168108016252518, 0.0, 3.08815932273865, 2.0, 0.00932861771434546, 0.0, 2.12182140350342, 0.0, 0.0, 0.0, 0.0, 1.31885755062103, 0.0, 176.110000610352, 0.0, 0.746424198150635, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 54.7243347167969, 4.0, 0.0, 50.7024192810059, 0.0, 0.0, 59000000512.0, 0.25, 2277.73999023438, 0.0, 0.0, 62.9798011779785, 2.71723890304565, 2698.46411132812, 0.0, 0.0, 66.1001434326172, 0.0, 0.0, 0.0, 0.0, 3.70429754257202, 3993.8427734375, 63.9806175231934, 5.95419645309448, 50.0, 4143.59716796875, 0.0, 1095.13000488281, 0.0, 3684.5859375, 7.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 12.0, 0.0, 21.5601139068604, 0.0, 0.0, 0.999000012874603, 13.3750476837158, 0.0, 0.0, 0.0, 4.316565990448, 2.0, 14.2640657424927, 0.0, 0.577350258827209, 4.85390138626099, 0.0, 10.2749338150024, 1.17462301254272, 18.1793937683105, 0.0, 0.0, 8.32046222686768, 7.0, 0.0, 0.742733597755432, 0.262188702821732, 0.0, 0.0, 4.0, -0.221070244908333, 0.0, 6.58336544036865, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H8N4O4%2Fc13-8-9-3-4-11%288%2910-5-6-1-2-7%2816-6%2912%2814%2915%2Fh1-2%2C5H%2C3-4H2%2C%28H%2C9%2C13%29, 0.0, 2.44556045532227 2.44556045532227, 1.69861924648285, -0.0846107676625252, 2.0, 0.0, 0.0, 2.89950346946716 2.89950346946716, 0.947890520095825, 0.205719798803329, 0.0, 0.0, 2.66218137741089 2.66218137741089, -0.041251003742218, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 80.0, 244.0, 0.477594941854477 0.477594941854477, 0.0, 0.550321221351624, 0.0, 0.0, 0.515789449214935 0.515789449214935, 0.0, 0.793700516223907, 0.0, 12.4567470550537, 0.0, 0.0, 0.321066826581955 0.321066826581955, 0.16666667163372, 5.55765581130981, 0.235702261328697, 0.0, 0.0, 0.0, 3.25, 0.352559179067612, 0.0840206891298294, 1.0, 0.0, 0.385379761457443, 8.10707759857178, 0.0795777291059494, 4.45783710479736, 0.0529007539153099, , 0.825481832027435, 0.273445844650269, 0.0, 2.9825439453125, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.91279399394989, 0.0, 0.0229262411594391, 0.0, 1.17203521728516, 0.0, 0.0, 0.0, 0.501133918762207, 0.0, 0.0, 0.0, 0.0, 0.250138759613037, 0.0, 107.150001525879, 0.0, 0.120307706296444, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.5378284454346, 0.0, 0.0, 20.4603080749512, 0.0, 0.0, 491.0, 0.0, 685.599182128906, 1.0, 0.0, 28.6186122894287, 0.0, 779.334838867188, 0.0, 0.0, 23.1751518249512, 0.0, 0.0, 0.0, 0.0, 0.0, 1023.40362548828, 17.0448513031006, 5.0, 18.0, 745.325378417969, 0.0, 385.079986572266, 0.0, 600.862182617188, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 1.33748066425323, 3.0, 0.0, 11.5436058044434, 0.0, 0.0, 0.444444447755814, 7.66470384597778, 1.0, 0.0, 0.0, 1.10649311542511, 2.0, 6.92879199981689, 0.0, 0.0, 3.19322633743286, 0.0, 5.50942230224609, 0.284517794847488, 5.47991371154785, 0.0, 0.0, 4.08218955993652, 2.0, 0.0, 0.509424567222595, 0.0, 0.0, 1.0, 2.0, -0.263898819684982, 1.0, 2.47233748435974, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H6O2%2Fc1-3-6-4%282%295%2Fh3H%2C1H2%2C2H3, 0.0, 0.288675129413605 0.288675129413605, 0.0, 0.0409824810922146, 0.0, 1.0, 0.0, 0.288675129413605 0.288675129413605, 0.0, -0.0115832202136517, 0.0, 0.0, 0.0 0.0, -0.00462126126512885, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 20.0, 31.0, 0.0481125228106976 0.0481125228106976, 0.0, 0.0, 0.0, 0.0, 0.0340206921100616 0.0340206921100616, 0.0, 0.5, 0.0, 6.0, 0.0, 0.0, 0.0 0.0, 0.0, 3.20000004768372, 0.0, 0.0, 0.0, 0.0, 5.33333349227905, 0.0, 0.0, 0.0, 0.0, 0.0, 3.60095357894897, 0.0, 1.55219888687134, 0.0, , 0.0, 0.0833333358168602, 0.0, 0.776099443435669, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.249296993017197, 0.0, 0.0, 0.0, 0.117354027926922, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 26.2999992370605, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.54893827438354, 0.0, 0.0, 5.99627590179443, 0.0, 0.0, 32.0, 0.25, 146.111511230469, 1.0, 0.0, 6.77074480056763, 1.15470051765442, 129.773406982422, 0.0, 0.0, 3.33209204673767, 0.0, 0.0, 0.0, 0.0, 1.15470051765442, 118.43172454834, 2.33209204673767, 3.58496260643005, 3.0, 70.2119369506836, 0.0, 91.0199966430664, 0.0, 38.9798126220703, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.99156379699707, 0.0, 0.0, 0.5, 2.77005553245544, 1.0, 0.0, 0.0, 0.40824830532074, 0.0, 2.18252205848694, 0.0, 0.0, 0.0, 0.0, 0.866025388240814, 0.0, 0.5, 0.0, 0.0, 0.577350258827209, 0.0, 0.0, 0.249892115592957, 0.0, 0.0, 0.0, 1.0, -0.149724051356316, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H12N2O2%2Fc1-2-13-8-5-3-7%284-6-8%2911-9%2810%2912%2Fh3-6H%2C2H2%2C1H3%2C%28H3%2C10%2C11%2C12%29, 0.0, 1.07524120807648 1.07524120807648, 1.10268676280975, 0.0651179328560829, 1.0, 1.0, 0.0, 1.62162148952484 1.62162148952484, 0.840018510818481, -0.00963875185698271, 0.0, 0.0, 1.81219387054443 1.81219387054443, -0.0312455501407385, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 58.0, 171.0, 0.292522490024567 0.292522490024567, 0.0, 0.0, 0.0, 0.0, 0.36137717962265 0.36137717962265, 0.0, 0.142857149243355, 0.0, 11.0769233703613, 0.0, 0.0, 0.321113467216492 0.321113467216492, 0.0, 5.671875, 0.0, 0.0, 0.0, 0.0, 4.15224933624268, 0.0833333358168602, 0.0, 1.0, 0.0, 0.117851130664349, 7.37196969985962, 0.0277777779847383, 3.99487996101379, 0.0252291187644005, , 0.965489387512207, 0.207276418805122, 0.0, 2.43099689483643, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.42805981636047, 0.0, 0.0, 0.0, 0.93787944316864, 1.0, 0.0, 0.0, 0.553022265434265, 0.0, 0.0, 0.0, 0.0, 0.230938643217087, 0.0, 65.3399963378906, 0.0, 0.132687419652939, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 15.2689142227173, 0.0, 0.0, 14.4948320388794, 0.0, 0.0, 280.0, 0.0, 612.173522949219, 1.0, 0.0, 18.7955665588379, 1.50854408740997, 660.262329101562, 0.0, 0.0, 15.4948320388794, 0.0, 0.0, 0.0, 0.0, 0.57235711812973, 806.160461425781, 13.4948320388794, 4.70043992996216, 14.0, 704.952209472656, 0.0, 469.040008544922, 0.0, 523.081359863281, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 9.68179798126221, 0.0, 0.0, 0.444444447755814, 6.21954536437988, 0.0, 1.0, 0.0, 0.816496610641479, 0.0, 5.30497550964355, 0.0, 0.0, 4.25141477584839, 0.0, 3.46798777580261, 0.0, 6.74402570724487, 0.0, 0.0, 2.83077645301819, 4.0, 0.0, 0.310905694961548, 0.0, 0.0, 0.0, 0.0, -0.204846158623695, 0.0, 2.06282901763916, 0.0, 0.0, 0.0
InChI%3D1S%2FC22H32O2%2Fc1-17%289-7-10-18%282%2914-16-24-20%284%2923%2912-13-21-19%283%2911-8-15-22%2821%2C5%296%2Fh7%2C9-10%2C12-14H%2C8%2C11%2C15-16H2%2C1-6H3, 0.0, 3.59375286102295 3.59375286102295, 2.64973950386047, 0.0595415756106377, 4.0, 1.0, 0.0, 5.07159423828125 5.07159423828125, 1.09547412395477, -0.0149074355140328, 0.0, 0.0, 5.3940372467041 5.3940372467041, -0.0144465304911137, 0.0, 0.0, 0.875, 0.0, 0.0, 0.0, 112.0, 569.0, 2.29137563705444 2.29137563705444, 0.0, 0.0, 0.0, 0.0, 3.15134692192078 3.15134692192078, 0.0, 0.5, 0.0, 22.0416660308838, 0.0, 0.0, 3.1732976436615 3.1732976436615, 0.0, 10.87109375, 0.0, 1.0, 0.0, 0.0, 8.79238796234131, 0.0589255653321743, 0.0, 0.0, 0.0, 0.218443363904953, 16.1090259552002, 0.0441941730678082, 8.75565433502197, 0.158098042011261, , 1.97008371353149, 1.62271893024445, 0.0, 7.28530263900757, 0.0, 1.32402980327606, 0.0, 0.176776692271233, 0.0, 0.0, 4.46549701690674, 0.0, 0.225261896848679, 0.0, 2.9908652305603, 6.0, 0.0510310381650925, 0.0, 1.62169170379639, 0.0, 0.0, 0.0, 0.0, 1.20536088943481, 0.0, 26.2999992370605, 0.0, 0.37843519449234, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 25.5489387512207, 0.0, 0.0, 24.9962768554688, 0.0, 0.0, 1709.0, 2.0915675163269, 1637.86596679688, 5.0, 0.0, 33.7707443237305, 11.431601524353, 1798.31701660156, 1.0, 0.0, 31.6641845703125, 0.0, 0.0, 0.0, 0.0, 6.3576922416687, 2320.2080078125, 27.9962768554688, 5.58496236801147, 31.0, 2240.19482421875, 0.0, 2584.02001953125, 1.72758090496063, 1857.11157226562, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 7.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 3.0, 0.0, 18.1649265289307, 0.0, 0.0, 0.466666668653488, 11.2200508117676, 6.0, 0.0, 0.0, 2.38962864875793, 0.0, 10.5079345703125, 0.0, 0.20412415266037, 10.9012756347656, 0.0, 7.01395225524902, 0.367851138114929, 12.6900701522827, 0.0, 0.0, 5.15379476547241, 0.0, 0.0, 0.283362030982971, 0.0833333358168602, 2.61049914360046, 0.0, 1.0, -0.17776820063591, 0.0, 3.14590311050415, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H8O3%2Fc1-10-6-4-2-3-5%288%297%286%299%2Fh2-4%2C8-9H%2C1H3, 0.0, 1.68655955791473 1.68655955791473, 0.603098630905151, -0.141276434063911, 0.0, 1.0, 0.0, 2.18057656288147 2.18057656288147, 0.295712292194366, 0.0638414025306702, 0.0, 0.0, 2.49969673156738 2.49969673156738, 0.051572035998106, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 46.0, 78.0, 0.359543025493622 0.359543025493622, 0.0, 0.333333343267441, 0.0, 0.0, 0.377055794000626 0.377055794000626, 0.0, 0.577350258827209, 0.0, 8.10000038146973, 0.0, 0.0, 0.325748324394226 0.325748324394226, 0.0, 3.40828394889832, 0.0, 0.0, 0.0, 0.0, 1.75, 0.0680413842201233, 0.0, 2.0, 0.0, 0.184195280075073, 5.5347261428833, 0.0240562614053488, 2.80360293388367, 0.0313375033438206, , 2.38110160827637, 0.179376989603043, 0.0, 1.82800555229187, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.19762027263641, 0.0, 0.0276099145412445, 0.0, 0.675465404987335, 1.0, 0.0, 0.0, 0.355741649866104, 0.0, 0.0, 0.0, 0.0, 0.108111307024956, 0.0, 49.689998626709, 0.0, 0.0376292653381824, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.3234071731567, 0.0, 0.0, 11.3283681869507, 0.0, 0.0, 113.0, 0.0, 413.641296386719, 0.0, 0.0, 14.9925518035889, 0.766309440135956, 453.330810546875, 0.0, 0.0, 16.5414905548096, 0.0, 0.0, 0.0, 0.0, 1.04004192352295, 572.331970214844, 9.10283660888672, 4.32192802429199, 13.0, 497.330780029297, 0.0, 234.029998779297, 0.0, 226.780120849609, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 7.56047773361206, 0.0, 0.0, 0.400000005960464, 4.75321865081787, 0.0, 0.0, 0.0, 0.594819009304047, 0.0, 3.93563222885132, 0.0, 0.0, 2.38110160827637, 0.0, 3.39989686012268, 0.232307806611061, 4.58575630187988, 0.0, 0.0, 2.26832342147827, 3.0, 0.0, 0.352408558130264, 0.0, 0.0, 0.0, 0.0, -0.118148721754551, 0.0, 1.3860467672348, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H10N4O3S%2Fc1-12%282%2911-9-10-6%285-17-9%297-3-4-8%2816-7%2913%2814%2915%2Fh3-5H%2C1-2H3%2C%28H%2C10%2C11%29, 0.0, 2.53411293029785 2.53411293029785, 2.2708842754364, -0.0849646776914597, 0.0, 0.0, 0.0, 3.46912670135498 3.46912670135498, 1.42817711830139, 0.246934324502945, 0.0, 0.0, 3.8432080745697 3.8432080745697, -0.225437447428703, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 86.0, 270.0, 0.755916893482208 0.755916893482208, 0.0, 0.5, 0.0, 0.0, 1.11664545536041 1.11664545536041, 0.0, 0.666666686534882, 0.0, 13.4320983886719, 0.0, 0.0, 0.981002986431122 0.981002986431122, 0.125, 5.76000022888184, 0.235702261328697, 0.0, 0.0, 0.0, 3.48444437980652, 0.287457466125488, 0.113077633082867, 0.0, 0.0, 0.464041620492935, 10.0231809616089, 0.111281804740429, 5.58108901977539, 0.113859154284, , 2.52506470680237, 0.573985159397125, 0.0, 4.29722547531128, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.59458684921265, 0.0, 0.0239986199885607, 0.0, 1.97146368026733, 2.0, 0.0, 0.0, 1.03400409221649, 0.0, 0.0, 0.0, 0.0, 0.621705710887909, 0.0, 115.360000610352, 0.0, 0.378707021474838, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 26.89111328125, 0.0, 0.0, 24.4677867889404, 0.0, 0.0, 564.0, 0.5, 1015.96612548828, 0.0, 0.0, 35.2422065734863, 0.917132139205933, 1167.32690429688, 0.0, 0.0, 28.0728435516357, 0.0, 0.0, 0.0, 0.0, 1.54438960552216, 1578.62353515625, 30.5556964874268, 5.08746290206909, 20.0, 1215.4697265625, 0.0, 512.080017089844, 0.0, 1168.18774414062, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 1.24957597255707, 4.0, 0.0, 12.4138488769531, 0.0, 0.0, 0.5, 8.05855083465576, 0.0, 1.0, 0.0, 1.44570577144623, 0.0, 7.64593553543091, 0.0, 0.0, 1.31037068367004, 0.0, 5.50974941253662, 0.25, 5.69378614425659, 1.0, 0.0, 4.50890254974365, 3.0, 0.0, 0.438662737607956, 0.0, 0.0, 1.0, 2.0, -0.223808884620667, 1.0, 2.92683410644531, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H5N2O2.H3N%2Fc9-7-8%2810%296-4-2-1-3-5-6%3B%2Fh1-5H%3B1H3%2Fq-1%3B%2Fp%2B1, 0.0, 1.08925569057465 1.08925569057465, 0.569035589694977, -0.0306438617408276, 0.0, 0.0, 0.0, 1.33925569057465 1.33925569057465, 0.319035589694977, 0.00195426912978292, 0.0, 0.0, 1.37377345561981 1.37377345561981, -0.00597457773983479, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 44.0, -1474836480.0, 0.119399629533291 0.119399629533291, 0.0, 0.333333343267441, 0.0, 0.0, 0.126633897423744 0.126633897423744, 0.0, 0.0, 0.0, 11.0, 0.0, 0.0, 0.095313236117363 0.095313236117363, 0.0, 5.625, 0.0, 0.0, 0.0, 0.0, 3.26530623435974, 0.102062076330185, 0.0, 0.0, 0.0, 0.0589255653321743, 4.6894268989563, 0.0320750139653683, 2.51686453819275, 0.0143443830311298, , 0.0, 0.0745356008410454, 0.0, 1.51719880104065, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.912488460540771, 0.0, 0.0, 0.0, 0.54180121421814, 0.0, 0.0, 0.0, 0.307847052812576, 0.0, 0.0, 0.0, 0.0, 0.0666244700551033, 0.0, 55.7299995422363, 0.0, 0.0219021905213594, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 13.6289024353027, 0.0, 0.0, 11.6331052780151, 0.0, 0.0, 10000000000.0, 0.0, 392.000213623047, 0.0, 0.0, 13.9375801086426, 0.0, 416.682098388672, 0.0, 0.0, 13.4354858398438, 0.0, 0.0, 0.0, 0.0, 0.0, 493.84130859375, 8.82692337036133, 4.45943164825439, 11.0, 395.266448974609, 0.0, 251.050003051758, 0.0, 203.912612915039, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 6.0, 0.0, 7.39734125137329, 0.0, 0.0, 0.999000012874603, 4.8425350189209, 0.0, 0.0, 0.0, 0.402368932962418, 1.0, 3.78362226486206, 0.0, 0.0, 6.08364343643188, 0.0, 3.09851837158203, 0.117851130664349, 3.04182171821594, 0.0, 0.0, 2.03653573989868, 5.0, 0.0, 0.07416170835495, 0.0, 0.0, 0.0, 1.0, -0.00197435170412064, 1.0, 1.41711032390594, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H10%2Fc1-7-4-3-5-8%282%296-7%2Fh3-6H%2C1-2H3, 0.0, 0.741581618785858 0.741581618785858, 0.451184451580048, 0.0, 0.0, 0.0, 0.0, 1.09341299533844 1.09341299533844, 0.0, 0.0, 0.0, 0.0, 1.02022004127502 1.02022004127502, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 36.0, 54.0, 0.359116762876511 0.359116762876511, 0.0, 0.0, 0.0, 0.0, 0.470227867364883 0.470227867364883, 0.0, 0.0, 0.0, 6.125, 0.0, 0.0, 0.36655980348587 0.36655980348587, 0.0, 2.51999998092651, 0.0, 0.0, 0.0, 0.0, 1.79999995231628, 0.0833333358168602, 0.0, 0.0, 0.0, 0.16666667163372, 5.30940103530884, 0.0277777779847383, 2.82136726379395, 0.0555555559694767, , 0.5, 0.333333343267441, 0.0, 2.15815496444702, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.17357528209686, 0.0, 0.0, 0.0, 0.807015538215637, 2.0, 0.0, 0.0, 0.359116762876511, 0.0, 0.0, 0.0, 0.0, 0.159223631024361, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.0, 2.0, 0.0, 8.0, 0.0, 0.0, 61.0, 0.25, 394.688110351562, 0.0, 0.0, 10.0, 3.03934264183044, 416.343292236328, 0.0, 0.0, 7.0, 0.0, 0.0, 0.0, 0.0, 2.30940103530884, 495.549713134766, 3.0, 4.0, 7.0, 335.475036621094, 0.0, 268.0, 0.0, 118.412696838379, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 5.98312759399414, 0.0, 0.0, 0.25, 3.78769373893738, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 3.37694931030273, 0.0, 0.0, 3.53277564048767, 0.0, 2.19858479499817, 0.0, 5.11154460906982, 0.0, 0.0, 1.73736357688904, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.971404492855072, 0.0, 0.0, 0.0
InChI%3D1S%2F2C3H7NS2.Zn%2Fc2%2A1-4%282%293%285%296%3B%2Fh2%2A1-2H3%2C%28H%2C5%2C6%29%3B%2Fq%3B%3B%2B2%2Fp-2, 0.0, 2.66666674613953 2.66666674613953, , 0.0908485352993011, 0.0, 0.0, 0.0, 0.0 0.0, , -0.0233380682766438, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 999.0009765625, 2.0, 0.0, 0.0, 44.0, -1474836480.0, 2.19689416885376 2.19689416885376, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 18.7199993133545, 0.0, 0.0, 0.0 0.0, 9.99999971718069e-10, 10.0833330154419, 0.0, 0.0, 0.0, 0.0, 18.75, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, , 9.99999971718069e-10, 1.0327535867691, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.585540056228638, 0.0, , 4.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 70.6600036621094, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 66.8763885498047, 0.0, 0.0, 17.6762523651123, 0.0, 0.0, 48000000000.0, 4.76220293421648e-06, 812.826721191406, 2.0, 0.0, 32.7093620300293, 0.0, 772.231628417969, 0.0, 0.0, 21.3582820892334, 0.0, 0.0, 0.0, 0.0, 0.000178885442437604, 771.881774902344, 0.0, 4.70043992996216, 8.0, 405.362121582031, 0.0, 328.070007324219, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.999000012874603, , 0.0, 0.0, 0.0, 1.33333337306976, 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.666666686534882, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.177577093243599, 0.0, 0.0, 0.0, 0.0, -0.156299009919167, 2.0, , 0.0, 0.0, 0.0
InChI%3D1S%2FC13H28N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-13-15%282%2914-16%2Fh3-13H2%2C1-2H3, 0.0, 0.492799282073975 0.492799282073975, 0.915403425693512, 0.0339780114591122, 11.0, 0.0, 0.0, 0.348461717367172 0.348461717367172, 0.584787964820862, -0.0256960652768612, 0.0, 0.0, 0.246399641036987 0.246399641036987, -0.00233474373817444, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 60.0, 319.0, 0.157735019922256 0.157735019922256, 0.0, 0.0, 0.0, 0.0, 0.111535504460335 0.111535504460335, 0.0, 0.0, 0.0, 16.0, 0.0, 0.0, 0.0788675099611282 0.0788675099611282, 0.0, 13.0666666030884, 0.0, 0.0, 0.0, 0.0, 13.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.080849647522, 0.0, 6.85312223434448, 0.0, , 0.0, 0.141421362757683, 0.0, 4.6448860168457, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.97465872764587, 0.0, 0.0, 0.0, 1.8688896894455, 2.0, 0.0, 0.0, 1.19650459289551, 0.0, 0.0, 0.0, 0.0, 0.757668137550354, 0.0, 32.6699981689453, 0.0, 0.473252266645432, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.4944458007812, 0.0, 0.0, 16.2458248138428, 0.0, 0.0, 656.0, 0.0769230797886848, 732.109069824219, 0.0, 0.0, 16.0520210266113, 4.00271654129028, 717.381164550781, 0.0, 0.0, 14.9965543746948, 0.0, 0.0, 0.0, 0.0, 0.0, 705.705749511719, 12.6644620895386, 5.0, 14.0, 646.311584472656, 0.0, 1609.03002929688, 0.0, 574.810729980469, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 10.0, 0.0, 12.0626316070557, 0.0, 0.0, 0.5, 7.80806064605713, 0.0, 0.0, 0.0, 0.288675129413605, 1.0, 5.48407554626465, 0.0, 0.0, 17.1586456298828, 0.0, 3.74740028381348, 0.0, 0.0, 0.0, 0.0, 2.18436026573181, 0.0, 0.0, 0.0618683211505413, 0.0, 0.0, 0.0, 1.0, -0.0366798937320709, 1.0, 1.41957592964172, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H3N%2Fc1-2-3-4%2Fh2H%2C1H2, 0.0, 0.0 0.0, 0.0, -0.0208298843353987, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, -0.00327045749872923, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 10.0, 14.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 1.0, 0.0, 2.23167061805725, 0.0, 0.920530200004578, 0.0, , 0.0, 0.0, 0.0, 0.333223581314087, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0912870913743973, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 23.7900009155273, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.35998821258545, 0.0, 0.0, 3.16618514060974, 0.0, 0.0, 10.0, 0.0, 80.1797943115234, 0.0, 0.0, 2.16618514060974, 1.41421353816986, 62.993824005127, 0.0, 0.0, 1.16618525981903, 0.0, 1.0, 0.0, 0.0, 0.0, 38.3469696044922, 0.0, 3.0, 1.0, 15.285120010376, 0.0, 24.0100002288818, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 3.41421365737915, 0.0, 0.0, 0.333333343267441, 1.91421353816986, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.097551591694355, 0.0, 0.0, 0.0, 0.0, -0.0246754568070173, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC2H5N5O3%2Fc1-6%285-8%292%283%294-7%289%2910%2Fh1H3%2C%28H2%2C3%2C4%29, 0.0, 1.41222512722015 1.41222512722015, 0.19245009124279, 0.103301033377647, 0.0, 0.0, 0.0, 1.54151904582977 1.54151904582977, 0.0, -0.145895257592201, 0.0, 0.0, 1.48079812526703 1.48079812526703, 0.080022431910038, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 40.0, 81.0, 0.265360414981842 0.265360414981842, 0.0, 0.721124768257141, 0.0, 0.0, 0.147634759545326 0.147634759545326, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.0991049334406853 0.0991049334406853, 0.333333343267441, 4.76033067703247, 0.0, 0.0, 0.0, 0.0, 4.48000001907349, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0663857460022, 0.0, 2.14214968681335, 0.0, , 0.0, 0.193169504404068, 0.0, 1.32277643680573, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.643270075321198, 0.0, 0.025000000372529, 0.0, 0.199653878808022, 1.0, 0.0, 0.0, 0.0682109594345093, 0.0, 0.0, 0.0, 0.0, 0.00745355989784002, 0.0, 114.370002746582, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 0.0, 0.0, 0.816496610641479, 14.1233472824097, 0.0, 0.0, 12.0451154708862, 0.0, 0.0, 130.0, 0.0, 273.602447509766, 1.0, 0.0, 15.0133867263794, 0.0, 281.453369140625, 0.0, 0.0, 13.1006908416748, 0.0, 0.0, 0.0, 0.0, 0.5, 319.592895507812, 11.8469696044922, 4.32192802429199, 10.0, 262.471405029297, 0.0, 106.080001831055, 0.0, 163.687026977539, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 2.37841415405273, 0.0, 0.0, 8.14626407623291, 0.0, 0.0, 0.5, 4.57458591461182, 0.0, 1.0, 0.0, 0.879652798175812, 1.0, 3.99236512184143, 0.0, 0.0, 0.0, 0.0, 2.45854473114014, 0.16666667163372, 0.0, 0.0, 0.0, 1.37824678421021, 0.0, 0.0, 0.157858401536942, 0.0, 0.0, 0.0, 3.0, -0.0916610360145569, 1.0, 0.560840666294098, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H12N2OS2%2Fc1-4-8%287-9%295%282%2911-6%283%2910-4%2Fh4-6H%2C1-3H3, , 1.81169605255127 1.81169605255127, 0.993793487548828, 0.0874128341674805, 0.0, 0.0, 0.0, 3.20645904541016 3.20645904541016, 0.157134845852852, -0.0600733235478401, , 0.0, 3.24168944358826 3.24168944358826, 0.0164319053292274, , 0.0, 1.0, 0.0, 0.0, 0.0, 52.0, 91.0, 2.33698868751526 2.33698868751526, , 0.0, 0.0, 0.0, 4.39554738998413 4.39554738998413, 0.0, 0.0, 2.0, 9.09090900421143, 0.0, 0.0, 4.83120584487915 4.83120584487915, 0.0, 3.59999990463257, 0.0, 0.0, 0.0, 0.0, 1.9753086566925, 0.0555555559694767, 0.0, 0.0, 0.0, 0.205950379371643, 8.48421573638916, 0.129099443554878, 5.45944976806641, 0.445033371448517, , 1.5, 1.56514763832092, 0.0, 6.12146329879761, 0.0, 0.0, , 0.0, , 0.0, 4.26949596405029, 0.0, 0.163299322128296, , 4.23922872543335, 3.0, 0.0, 0.0, 2.20354986190796, , , , 0.0, 1.53787672519684, , 83.2699966430664, 0.0, 0.162610501050949, , 0.0, 0.0, 0.0, , 0.0, 24.7499504089355, 0.0, , 18.9249649047852, 0.0, , 146.0, 0.75, 931.032897949219, 0.0, 0.0, 33.2520294189453, 0.0, 1045.99731445312, 0.0, 0.0, 23.7292385101318, 0.0, 0.0, 0.0, , 4.32674884796143, 1350.36865234375, 20.4489231109619, 4.45943164825439, 15.0, 1178.23229980469, 0.0, 419.049987792969, 0.0, 626.098388671875, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 6.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 8.43072128295898, , , 0.5, 5.14706563949585, 0.0, 0.0, 0.0, 0.896162390708923, 1.0, 4.60324668884277, 3.0, 0.0, 0.0, , 3.48151588439941, 0.19245009124279, 0.0, 0.0, , 3.08074188232422, 0.0, 0.0, 0.105320245027542, 0.0, 0.0, 0.0, 1.0, -0.0814521536231041, 1.0, 1.3610360622406, 0.0, 0.0, 0.0
InChI%3D1S%2FC10H15N3O2%2Fc1-13%2812-15%297-3-5-10%2814%299-4-2-6-11-8-9%2Fh2%2C4%2C6%2C8%2C10%2C14H%2C3%2C5%2C7H2%2C1H3, 0.0, 1.513019323349 1.513019323349, 1.13496792316437, 0.033572468906641, 3.0, 0.0, 0.0, 1.67341959476471 1.67341959476471, 0.731604814529419, -0.062670610845089, 0.0, 0.0, 1.74270904064178 1.74270904064178, 0.0167278330773115, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 66.0, 231.0, 0.537357211112976 0.537357211112976, 0.0, 0.142857149243355, 0.0, 0.0, 0.529394805431366 0.529394805431366, 0.0, 0.0, 0.0, 13.0666666030884, 0.0, 0.0, 0.471258908510208 0.471258908510208, 0.0, 7.30246925354004, 0.0, 0.0, 0.0, 0.0, 5.03999996185303, 0.102062076330185, 0.0, 1.0, 0.0, 0.0589255653321743, 8.70517444610596, 0.0248451996594667, 4.86155271530151, 0.0143443830311298, , 1.0, 0.328933507204056, 0.0, 3.4072904586792, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.16785454750061, 0.0, 0.0304290316998959, 0.0, 1.29403209686279, 1.0, 0.0, 0.0, 0.763243794441223, 0.0, 0.0, 0.0, 0.0, 0.390224277973175, 0.0, 65.7900009155273, 0.0, 0.211878970265388, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.6289024353027, 1.0, 0.0, 16.9102878570557, 0.0, 0.0, 434.0, 0.0, 709.075988769531, 0.0, 0.0, 20.0485763549805, 1.38399720191956, 761.583435058594, 0.0, 0.0, 19.3252010345459, 0.0, 0.0, 0.0, 0.0, 0.365148365497589, 903.098937988281, 15.0482978820801, 4.90689039230347, 17.0, 817.435668945312, 0.0, 690.049987792969, 0.0, 620.254272460938, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.125, 0.0, 0.0, 0.755928933620453, 5.0, 0.0, 11.0960121154785, 0.0, 0.0, 0.5, 7.23638200759888, 0.0, 0.0, 0.0, 0.6910440325737, 1.0, 5.81969785690308, 1.0, 0.0, 7.29830408096313, 0.0, 4.50788068771362, 0.117851130664349, 6.55071020126343, 1.0, 0.0, 2.93131685256958, 4.0, 0.0, 0.203396216034889, 0.0, 0.0, 0.0, 1.0, -0.0900159850716591, 1.0, 2.04615592956543, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H7N3O4S%2Fc1-5%2813%2910-9-11-6%284-17-9%297-2-3-8%2816-7%2912%2814%2915%2Fh2-4H%2C1H3%2C%28H%2C10%2C11%2C13%29, 0.0, 2.53411293029785 2.53411293029785, 2.2708842754364, 0.0506628677248955, 0.0, 0.0, 0.0, 3.46912670135498 3.46912670135498, 1.42817711830139, 0.0501368045806885, 0.0, 0.0, 3.8432080745697 3.8432080745697, -0.079084500670433, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 86.0, 270.0, 0.678539156913757 0.678539156913757, 0.0, 0.512992799282074, 0.0, 0.0, 0.961624503135681 0.961624503135681, 0.0, 0.75394743680954, 0.0, 13.4320983886719, 0.0, 0.0, 0.836791634559631 0.836791634559631, 0.0, 5.76000022888184, 0.235702261328697, 0.0, 0.0, 0.0, 3.48444437980652, 0.287457466125488, 0.113077633082867, 1.0, 0.0, 0.464041620492935, 9.4703950881958, 0.107108667492867, 5.38387537002563, 0.111772589385509, , 3.38654565811157, 0.435922205448151, 0.0, 3.9058837890625, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.50821900367737, 0.0, 0.0239986199885607, 0.0, 1.85244131088257, 1.0, 0.0, 0.0, 0.960562527179718, 0.0, 0.0, 0.0, 0.0, 0.578781843185425, 0.0, 132.679992675781, 0.0, 0.337810784578323, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 27.3055934906006, 0.0, 0.0, 24.2737045288086, 0.0, 0.0, 564.0, 0.0, 964.811218261719, 1.0, 0.0, 35.7953948974609, 0.458566069602966, 1113.06127929688, 0.0, 0.0, 27.7674541473389, 0.0, 0.0, 0.0, 0.0, 1.34123075008392, 1510.98107910156, 31.497220993042, 5.08746290206909, 20.0, 1160.01904296875, 0.0, 353.079986572266, 0.0, 1108.84631347656, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.338061690330505, 4.0, 0.0, 12.4138488769531, 0.0, 0.0, 0.5, 8.05855083465576, 0.0, 0.0, 0.0, 1.44570577144623, 1.0, 7.64593553543091, 0.0, 0.0, 1.31037068367004, 0.0, 5.50974941253662, 0.25, 5.87101554870605, 1.0, 0.0, 4.50890254974365, 3.0, 0.0, 0.487411707639694, 0.0, 0.0, 1.0, 2.0, -0.289541035890579, 0.0, 2.92683410644531, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H8N2O%2Fc1-3-4-5%282%296%2Fh3H2%2C1-2H3, 0.0, , , -0.0542654879391193, 1.0, 0.0, 0.0, , , 0.00556299369782209, 0.0, 0.0, , 0.00158793828450143, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 20.0, 31.0, , 0.0, 0.0, 0.0, , , , 0.0, 0.0, 6.0, , 0.0, , 0.0, 3.20000004768372, , 0.0, 0.0, , 5.33333349227905, , , 0.0, 0.0, , , , , , , 0.0, , 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, , 0.0, , 2.0, , 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 41.1100006103516, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.49444532394409, 0.0, 0.0, 6.24582433700562, 0.0, 0.0, 32.0, 0.25, , 0.0, 0.0, 6.38411378860474, 1.15470051765442, , 0.0, 0.0, 3.49827718734741, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.33209204673767, 3.58496260643005, 3.0, , 0.0, 139.029998779297, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.5, , 0.0, 0.0, 0.0, , 1.0, , 0.0, , 0.0, 0.0, , , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.11819539219141, , 0.0, 0.0, 1.0, -0.0119831403717399, 0.0, , 0.0, 0.0, 0.0
InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H, , 3.64273452758789 3.64273452758789, 0.829344630241394, -0.170084491372108, 0.0, , , 4.97606754302979 4.97606754302979, 0.222222223877907, -0.0847692787647247, , , 7.01965713500977 7.01965713500977, -4.79899244965054e-06, , 0.0, 0.25, , , , 60.0, 102.0, 2.30384564399719 2.30384564399719, , 0.0, , 0.0, 2.87501883506775 2.87501883506775, 0.0, 0.0, , 10.0833330154419, 0.0, , 3.63859963417053 3.63859963417053, 0.0, 3.3950617313385, 0.0, 0.0, , 0.0, 1.5625, 0.0370370373129845, 0.0, , 0.0, 0.222222223877907, 9.11668109893799, 0.015625, 4.55834054946899, 0.0955731347203255, , 9.12546539306641, 0.764585077762604, 0.0, 3.80834031105042, 0.0, 0.0, , 0.0, , 0.0, 3.44343066215515, 0.0, 0.384815126657486, , 1.72171533107758, 0.0, 0.0, , 0.860857665538788, , , , 0.0, 0.383553832769394, , 20.2299995422363, 0.0, 0.0962037816643715, , 0.0, 0.0, 0.0, , 0.0, 51.3382377624512, 0.0, , 22.0907783508301, 0.0, , 174.0, 0.0, 991.575927734375, 0.0, 0.0, 38.1815567016602, 0.0, 1146.26867675781, 0.0, 0.0, 77.8965454101562, 0.0, , , , 0.0, 1599.27185058594, 58.8057632446289, 4.58496236801147, 21.0, 1551.85754394531, , 37.060001373291, 0.0, 752.326538085938, 6.0, , , 0.0, , 0.0, 0.0, , 0.0, , , 0.0, 0.0, , , 0.0, 0.0, , , 0.0, 0.0, , 0.0, 6.0, , 9.46410179138184, , , 0.200000002980232, 5.46410179138184, 0.0, , , 1.15470051765442, , 5.154700756073, 0.0, 0.0, 0.0, , 4.97606754302979, 0.666666686534882, 0.0, , , 2.87293410301208, 0.0, , 0.343975722789764, 0.0, 0.0, , , -0.00172899139579386, , 1.65868926048279, , , 0.0
InChI%3D1S%2FC10H13N5O3S%2Fc11-10-13-8-7%289%2819%2914-10%2912-3-15%288%296-1-4%2817%295%282-16%2918-6%2Fh3-6%2C16-17H%2C1-2H2%2C%28H3%2C11%2C13%2C14%2C19%29%2Ft4-%2C5%3F%2C6%2B%2Fm0%2Fs1, 0.0, 3.59046268463135 3.59046268463135, 3.52473711967468, 0.119103193283081, 2.0, 1.0, 0.0, 6.02878427505493 6.02878427505493, 2.28035736083984, -0.21305239200592, 0.0, 0.0, 7.78564262390137 7.78564262390137, 0.263420313596725, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 104.0, 292.0, 1.46010899543762 1.46010899543762, 0.0, 0.25, 0.0, 0.0, 1.99121499061584 1.99121499061584, 0.0, 0.666666686534882, 0.0, 13.9591836929321, 0.0, 0.0, 2.13348245620728 2.13348245620728, 0.0, 5.41311120986938, 0.19245009124279, 0.0, 0.0, 0.0, 2.49215793609619, 0.454530030488968, 0.0844230726361275, 2.0, 0.0, 0.808083415031433, 10.8397083282471, 0.154783397912979, 6.42766666412354, 0.222736716270447, , 7.26615476608276, 0.727306067943573, 0.0, 5.0637674331665, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.67353582382202, 0.0, 0.128314524888992, 0.0, 2.65042018890381, 0.0, 0.0, 0.0, 1.56382727622986, 0.0, 0.0, 0.0, 0.0, 0.982081174850464, 0.0, 154.220001220703, 0.0, 0.529296457767487, 0.0, 1.10520946979523, 0.0, 0.0, 0.0, 0.25, 29.2511005401611, 0.0, 0.0, 25.660005569458, 0.0, 0.0, 671.0, 0.0, 1259.44665527344, 1.0, 0.0, 40.1263198852539, 0.0, 1512.41455078125, 0.0, 0.0, 41.2104454040527, 0.0, 0.0, 0.0, 0.0, 0.0, 2206.89453125, 40.1584091186523, 5.24792766571045, 30.0, 2022.69958496094, 1.0, 954.090026855469, 0.0, 1721.22998046875, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 1.14471423625946, 0.0, 2.0, 1.19055080413818, 4.0, 0.0, 13.568549156189, 0.0, 0.0, 0.444444447755814, 9.09655570983887, 0.0, 2.0, 0.0, 1.50166130065918, 0.0, 8.49987030029297, 4.0, 0.0, 0.843432664871216, 0.0, 7.32745742797852, 0.393228679895401, 7.08457851409912, 2.0, 0.0, 6.4482626914978, 1.0, 1.0, 0.653517544269562, 0.0, 0.0, 0.0, 0.0, -0.380833715200424, 0.0, 4.59021759033203, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H7N3O%2Fc1-9%288-10%296-4-2-3-5-7-6%2Fh2-5H%2C1H3, 0.0, 1.08925569057465 1.08925569057465, 0.569035589694977, 0.0687755942344666, 0.0, 0.0, 0.0, 1.33925569057465 1.33925569057465, 0.319035589694977, -0.0674891173839569, 0.0, 0.0, 1.37377345561981 1.37377345561981, 0.0335234068334103, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 44.0, 90.0, 0.293502807617188 0.293502807617188, 0.0, 0.0, 0.0, 0.0, 0.26573771238327 0.26573771238327, 0.0, 0.0, 0.0, 8.10000038146973, 0.0, 0.0, 0.210975825786591 0.210975825786591, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 2.28571438789368, 0.102062076330185, 0.0, 0.0, 0.0, 0.0589255653321743, 5.55928993225098, 0.0248451996594667, 2.82387542724609, 0.0111111113801599, , 0.0, 0.157735019922256, 0.0, 1.79319286346436, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.1033102273941, 0.0, 0.0258198883384466, 0.0, 0.586996495723724, 1.0, 0.0, 0.0, 0.327829211950302, 0.0, 0.0, 0.0, 0.0, 0.0999727174639702, 0.0, 45.560001373291, 0.0, 0.0402100346982479, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.8544330596924, 0.0, 0.0, 11.5781946182251, 0.0, 0.0, 121.0, 0.0, 412.525329589844, 0.0, 0.0, 13.7443799972534, 1.01626551151276, 443.564331054688, 0.0, 0.0, 12.8550987243652, 0.0, 0.0, 0.0, 0.0, 0.5, 529.376586914062, 8.38411331176758, 4.32192802429199, 11.0, 435.026336669922, 0.0, 199.039993286133, 0.0, 233.989822387695, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 1.41421353816986, 3.0, 0.0, 7.39734125137329, 0.0, 0.0, 0.5, 4.8425350189209, 0.0, 0.0, 0.0, 0.402368932962418, 1.0, 3.78362226486206, 0.0, 0.0, 3.96540641784668, 0.0, 3.09851837158203, 0.117851130664349, 2.14913988113403, 1.0, 0.0, 2.03653573989868, 4.0, 0.0, 0.122604943811893, 0.0, 0.0, 0.0, 1.0, -0.0842245668172836, 1.0, 1.41711032390594, 0.0, 0.0, 0.0
InChI%3D1S%2FC19H30O5%2Fc1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18%2823-15-24-19%2912-16%2817%296-4-2%2Fh12-13H%2C3-11%2C14-15H2%2C1-2H3, 0.0, 1.79911375045776 1.79911375045776, 3.17443227767944, -0.0886074230074883, 11.0, 5.0, 0.0, 2.95090103149414 2.95090103149414, 2.29109382629395, 0.368712812662125, 0.0, 0.0, 3.88759779930115 3.88759779930115, -0.262058645486832, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 110.0, 644.0, 0.736499011516571 0.736499011516571, 0.0, 0.0, 0.0, 0.0, 1.02304577827454 1.02304577827454, 0.0, 0.0, 0.0, 20.3136005401611, 0.0, 0.0, 1.18211340904236 1.18211340904236, 0.0, 12.3688888549805, 0.117851130664349, 0.0, 0.0, 0.0, 7.42439746856689, 0.222222223877907, 0.0294627826660872, 0.0, 0.0, 0.312285453081131, 14.9741163253784, 0.0548540242016315, 8.99367046356201, 0.0733043998479843, , 3.30192732810974, 0.321975260972977, 0.0, 5.85506391525269, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.85796165466309, 0.0, 0.0555555559694767, 0.0, 2.53094530105591, 2.0, 0.0, 0.0, 1.64000129699707, 0.0, 0.0, 0.0, 0.0, 0.97466778755188, 0.0, 46.1500015258789, 0.0, 0.5744309425354, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 27.8723449707031, 2.0, 0.0, 28.3209190368652, 1.78301441669464, 0.0, 1767.0, 0.0625, 1229.59497070312, 0.0, 0.0, 34.0953903198242, 3.93795084953308, 1352.02099609375, 0.0, 0.0, 32.8735809326172, 0.0, 0.0, 0.0, 0.0, 1.04504311084747, 1695.08544921875, 30.9851036071777, 5.58496236801147, 29.0, 1634.99267578125, 0.0, 2473.05004882812, 0.0, 1428.64172363281, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.0, 0.0, 17.0373229980469, 0.0, 0.0, 0.5, 11.846866607666, 0.0, 0.0, 0.0, 0.666666686534882, 0.0, 9.20195770263672, 0.0, 0.0, 14.9108333587646, 0.0, 7.28209543228149, 0.16666667163372, 11.9529457092285, 0.0, 0.0, 5.86873388290405, 2.0, 0.0, 0.876128256320953, 0.0, 0.0, 0.0, 0.0, -0.528389751911163, 0.0, 4.37867212295532, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H8N2O2%2Fc7-4-1-2-6%283-4%295-8%2Fh4%2C7H%2C1-3H2, , 0.837103664875031 0.837103664875031, 0.284517794847488, -0.00952873099595308, 3.0, 0.0, 0.0, 1.10144436359406 1.10144436359406, 0.0, -0.0157069284468889, , 0.0, 0.819035589694977 0.819035589694977, -0.0360031388700008, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 36.0, 59.0, 0.318292647600174 0.318292647600174, 0.0, 0.200000002980232, 0.0, 0.0, 0.349026501178741 0.349026501178741, 0.0, 0.0, 0.0, 6.125, 0.0, 0.0, 0.14570227265358 0.14570227265358, 0.0, 2.51999998092651, 0.117851130664349, 0.0, 0.0, 0.0, 1.48760330677032, 0.201184466481209, 0.0912870913743973, 1.0, 0.0, 0.16666667163372, 4.44855976104736, 0.0816496610641479, 2.58972525596619, 0.0349240861833096, , 0.0, 0.229099437594414, 0.0, 1.93677878379822, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.2574051618576, 0.0, 0.0, , 0.798048555850983, 0.0, 0.0, 0.0, 0.251166790723801, , , , 0.0, 0.0438742600381374, 0.0, 52.9000015258789, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 10.2689142227173, 0.0, 0.0, 9.57791614532471, 0.0, , 63.0, 0.0, 277.965454101562, 0.0, 0.0, 11.8823909759521, 0.0, 303.031890869141, 0.0, 0.0, 7.88211250305176, 0.0, 0.0, 0.0, , 0.0, 369.900695800781, 4.21764993667603, 4.0, 6.0, 167.328231811523, 0.0, 200.039993286133, 0.0, 64.0921096801758, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 2.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 2.0, 0.0, 5.98312759399414, , , 0.400000005960464, 3.82569861412048, 0.0, 0.0, 0.0, 0.492799282073975, 1.0, 3.19249796867371, 1.0, 0.0, 1.88988161087036, , 2.38076686859131, 0.0, 2.38110160827637, 0.0, 0.0, 1.69574868679047, 0.0, 0.0, 0.146878257393837, 0.0, 0.0, 0.0, 1.0, -0.0410769283771515, 1.0, 0.922589004039764, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H9AsO%2Fc1-4%282%2C3%295%2Fh1-3H3, 0.0, 0.0 0.0, 0.0, 240.964004516602, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 20.0, 12.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 5.7320384979248, 0.0, 7.92005348205566, 0.0, , 0.0, 5.16983985900879, 0.0, 9.81742000579834, 0.0, 0.0, 0.0, 0.948683321475983, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 43.6856842041016, 0.0, 0.0, 27.0230941772461, 0.0, 0.0, 16.0, 1.5, 88.0734100341797, 0.0, 0.0, 6.99627590179443, 0.0, 82.1173858642578, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 86.4123382568359, 0.0, 3.32192802429199, 0.0, 0.0, 0.0, 149.020004272461, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.5, 0.0, 0.0, 0.5, 2.0, 0.0, 0.0, 0.0, 2.0, 0.0, 3.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 808.001525878906, 0.0, 0.0, 0.0, 1.0, -644.964782714844, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC15H11NO2%2Fc1-9%2817%2916-10-6-7-12-11-4-2-3-5-13%2811%2915%2818%2914%2812%298-10%2Fh2-8H%2C1H3%2C%28H%2C16%2C17%29, 0.0, 2.95542764663696 2.95542764663696, 3.41338419914246, -0.000929970003198832, 0.0, 0.0, 0.0, 5.34781932830811 5.34781932830811, 2.67926692962646, -0.00964879710227251, 0.0, 0.0, 7.73912763595581 7.73912763595581, -0.0532918348908424, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 98.0, 274.0, 1.0362104177475 1.0362104177475, 0.0, 0.142857149243355, 0.0, 0.0, 1.56660902500153 1.56660902500153, 0.0, 0.0, 0.0, 13.0050001144409, 0.0, 0.0, 1.84317934513092 1.84317934513092, 0.0, 5.17479181289673, 0.0641500279307365, 0.0, 0.0, 0.0, 2.40000009536743, 0.396968424320221, 0.03125, 1.0, 0.0, 0.71921294927597, 9.8441276550293, 0.136760577559471, 5.69032859802246, 0.194826200604439, , 8.90736103057861, 0.514241755008698, 0.0, 4.26361179351807, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.00054216384888, 0.0, 0.0919627845287323, 0.0, 2.27241086959839, 1.0, 0.0, 0.0, 1.55821192264557, 0.0, 0.0, 0.0, 0.0, 0.882829666137695, 0.0, 49.6599998474121, 0.0, 0.563910663127899, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.9089260101318, 4.0, 0.0, 20.9965553283691, 0.0, 0.0, 581.0, 0.0, 1200.4599609375, 2.0, 0.0, 31.0482978820801, 1.10296475887299, 1445.34655761719, 0.0, 0.0, 30.9928302764893, 0.0, 0.0, 0.0, 0.0, 1.63417851924896, 2117.51586914062, 27.3249225616455, 5.16992521286011, 29.0, 2029.86047363281, 0.0, 655.030029296875, 0.0, 1577.84594726562, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 8.0, 0.0, 12.6983060836792, 0.0, 0.0, 0.444444447755814, 8.66470336914062, 0.0, 0.0, 0.0, 1.34915363788605, 1.0, 8.1076192855835, 0.0, 0.0, 7.31527996063232, 0.0, 6.64392232894897, 0.323801517486572, 17.4995098114014, 0.0, 0.0, 6.02679395675659, 7.0, 0.0, 0.266360938549042, 0.0, 0.0, 0.0, 1.0, -0.107495881617069, 0.0, 4.98770570755005, 0.0, 0.0, 0.0
InChI%3D1S%2FC10H14N2O2%2Fc1-8%2812%282%2911-14%2910%2813%299-6-4-3-5-7-9%2Fh3-8%2C10%2C13H%2C1-2H3, , 2.3139021396637 2.3139021396637, 0.896182656288147, -0.0120166819542646, 0.0, 0.0, 0.0, 2.98285889625549 2.98285889625549, 0.550363481044769, 0.0197955016046762, , 0.0, 3.63384199142456 3.63384199142456, -0.0537903718650341, , 0.0, 1.0, 0.0, 0.0, 0.0, 64.0, 168.0, 0.989852368831635 0.989852368831635, 0.0, 0.200000002980232, 0.0, 0.0, 0.968090653419495 0.968090653419495, 0.0, 0.0, 0.0, 12.0714282989502, 0.0, 0.0, 0.976773977279663 0.976773977279663, 0.0, 5.77777767181396, 0.0, 0.0, 0.0, 0.0, 3.27272725105286, 0.102062076330185, 0.0, 1.0, 0.0, 0.0589255653321743, 8.29134082794189, 0.0320750139653683, 4.45622777938843, 0.0185185186564922, , 2.38110160827637, 0.435301899909973, 0.0, 3.25144290924072, 0.0, 0.0, , 0.0, 0.0, 0.0, 2.31623077392578, 0.0, 0.124845199286938, , 1.20743954181671, 2.0, 0.0, 0.0, 0.681578278541565, 0.0, , , 0.0, 0.283227741718292, 0.0, 52.9000015258789, 0.0, 0.14213827252388, , 0.0, 0.0, 0.0, , 0.0, 16.268913269043, 1.0, 0.0, 15.5779161453247, 0.0, , 311.0, 0.333333343267441, 723.63330078125, 0.0, 0.0, 19.8823909759521, 1.91445350646973, 799.903076171875, 0.0, 0.0, 21.7124824523926, 0.0, 0.0, 0.0, , 2.62074136734009, 1012.77600097656, 17.7124824523926, 4.80735492706299, 19.0, 967.39306640625, 0.0, 602.039978027344, 0.0, 710.018310546875, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 1.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 7.0, 0.0, 10.5520420074463, , , 0.5, 6.66390228271484, 0.0, 0.0, 0.0, 0.787269115447998, 1.0, 5.50185585021973, 2.0, 0.0, 6.08364343643188, , 4.76426362991333, 0.343418926000595, 5.88526725769043, 0.0, 0.0, 2.97924709320068, 5.0, 0.0, 0.143476977944374, 0.0, 0.0, 0.0, 1.0, -0.0505203567445278, 1.0, 1.93728148937225, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H4F3N3O4S%2Fc10-9%2811%2C12%297%2816%2914-8-13-4%283-20-8%295-1-2-6%2819-5%2915%2817%2918%2Fh1-3H%2C%28H%2C13%2C14%2C16%29, 0.0, 4.50703191757202 4.50703191757202, 2.4961793422699, -0.133136212825775, 0.0, 0.0, 0.0, 4.44344043731689 4.44344043731689, 1.60859644412994, 0.298081129789352, 0.0, 0.0, 5.24973821640015 5.24973821640015, -0.279452115297318, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 1.0, 104.0, 353.0, 0.806065320968628 0.806065320968628, 0.0, 0.512992799282074, 0.0, 0.0, 0.953585743904114 0.953585743904114, 0.0, 0.75394743680954, 0.0, 16.3718814849854, 0.0, 0.0, 0.902746856212616 0.902746856212616, 0.0, 6.40582704544067, 0.235702261328697, 0.0, 0.0, 0.0, 4.25, 0.287457466125488, 0.113077633082867, 1.0, 0.0, 0.464041620492935, 10.1042881011963, 0.107108667492867, 5.70082187652588, 0.111772589385509, , 3.38654565811157, 0.520062506198883, 0.0, 4.18003606796265, 0.0, 1.34123075008392, 0.0, 0.0134987309575081, 0.0, 0.0, 2.70586347579956, 0.0, 0.0454271920025349, 0.0, 1.82236266136169, 0.0, 0.00269974628463387, 0.0, 1.01451373100281, 0.0, 0.0, 0.0, 0.0, 0.604545474052429, 0.0, 132.679992675781, 0.0, 0.34177154302597, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 34.8117256164551, 0.0, 0.0, 29.0190601348877, 0.0, 0.0, 894.0, 0.0, 990.612731933594, 1.0, 0.0, 48.0468826293945, 0.0, 1159.65246582031, 1.0, 0.0, 39.6226654052734, 0.0, 0.0, 0.0, 0.0, 0.0, 1606.17761230469, 36.2425765991211, 5.32192802429199, 26.0, 1282.30590820312, 0.0, 245.110000610352, 0.0, 1200.443359375, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.338061690330505, 4.0, 0.0, 14.9138488769531, 0.0, 0.0, 0.454545468091965, 9.26987552642822, 0.0, 0.0, 0.0, 2.60760712623596, 1.0, 9.51916122436523, 0.0, 0.288675129413605, 1.31037068367004, 0.0, 6.87029600143433, 0.86237245798111, 5.87101554870605, 1.0, 0.0, 4.6957893371582, 3.0, 0.0, 0.809455096721649, 0.20412415266037, 0.458566069602966, 1.0, 2.0, -0.431308269500732, 0.0, 3.31979608535767, 0.0, 3.0, 0.0
InChI%3D1S%2FC23H31NO2.ClH%2Fc1-6-22%2826-19%283%2925%2923%2817-18%282%2924%284%295%2C20-13-9-7-10-14-20%2921-15-11-8-12-16-21%3B%2Fh7-16%2C18%2C22H%2C6%2C17H2%2C1-5H3%3B1H%2Ft18-%2C22-%3B%2Fm0.%2Fs1, 0.0, 4.4484715461731 4.4484715461731, 3.75096321105957, 0.0500005595386028, 2.0, 1.0, 0.0, 7.1388635635376 7.1388635635376, 2.57867336273193, -0.00401347875595093, 0.0, 0.0, 11.5645866394043 11.5645866394043, -0.0454943031072617, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 128.0, -1834574848.0, 2.78597950935364 2.78597950935364, 0.0, 0.0, 0.0, 0.0, 3.80039072036743 3.80039072036743, 0.0, 0.5, 0.0, 25.037036895752, 0.0, 0.0, 5.31056833267212 5.31056833267212, 0.0, 11.8699779510498, 0.0, 1.0, 0.0, 0.0, 6.23740100860596, 0.20412415266037, 0.0, 0.0, 0.0, 0.102062076330185, 17.8308715820312, 0.0641500279307365, 9.36112594604492, 0.0320750139653683, , 3.51675915718079, 1.13878762722015, 0.0, 7.22648334503174, 0.0, 3.49413561820984, 0.0, 0.0510310381650925, 0.0, 0.0, 5.30542707443237, 0.0, 0.437412559986115, 0.0, 3.75798892974854, 5.0, 0.0487520806491375, 0.0, 2.87208461761475, 0.0, 0.0, 0.0, 0.0, 1.61739206314087, 0.0, 29.5400009155273, 0.0, 0.896752774715424, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 36.6216812133789, 2.0, 0.0, 28.4948310852051, 0.0, 0.0, 26000001024.0, 1.96161246299744, 2048.3642578125, 1.0, 0.0, 39.4352073669434, 10.4634714126587, 2404.97509765625, 1.0, 0.0, 44.8266448974609, 0.0, 0.0, 0.0, 0.0, 6.55764675140381, 3439.95874023438, 53.8232002258301, 5.75488758087158, 43.0, 4062.88598632812, 0.0, 2779.0400390625, 1.40244388580322, 4307.9072265625, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.0, 0.0, 19.1564903259277, 0.0, 0.0, 0.999000012874603, 12.4127569198608, 0.0, 0.0, 0.0, 1.86007499694824, 0.0, 10.9423856735229, 2.0, 0.0680413842201233, 18.9434337615967, 0.0, 8.55290412902832, 0.733593225479126, 17.9223556518555, 0.0, 0.0, 6.90863037109375, 10.0, 0.0, 0.359086334705353, 0.102062076330185, 4.94730091094971, 0.0, 1.0, -0.217395901679993, 1.0, 6.07832908630371, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H6FN3O2%2Fc4-1-2-7%286-9%293%285%298%2Fh1-2H2%2C%28H2%2C5%2C8%29, , 1.08925569057465 1.08925569057465, 0.0, 0.0543853454291821, 2.0, 0.0, 0.0, 1.20710682868958 1.20710682868958, 0.0, -0.0157875139266253, , 0.0, 0.804737865924835 0.804737865924835, -0.126832947134972, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 34.0, 63.0, 0.203561648726463 0.203561648726463, 0.0, 0.25, 0.0, 0.0, 0.148143723607063 0.148143723607063, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.0527002476155758 0.0527002476155758, 0.0, 4.83950614929199, 0.0, 0.0, 0.0, 0.0, 3.55555558204651, 0.0, 0.0, 1.0, 0.0, 0.0, 4.54206705093384, 0.0, 2.16327667236328, 0.0, , 0.0, 0.120710678398609, 0.0, 1.21738076210022, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.639367640018463, 0.0, 0.0158113874495029, , 0.26545050740242, 0.0, 0.0, 0.0, 0.0554574131965637, 0.0, 0.0, , 0.0, 0.0, 0.0, 76.75, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.5, 13.1309461593628, 0.0, 0.0, 10.3258867263794, 0.0, , 96.0, 0.0, 241.743118286133, 1.0, 0.0, 12.1007270812988, 0.0, 245.457412719727, 0.0, 0.0, 12.0867547988892, 0.0, 0.0, 0.0, , 0.0, 265.988586425781, 10.5847434997559, 4.16992521286011, 9.0, 222.952270507812, 0.0, 124.059997558594, 0.0, 127.536903381348, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, , , 2.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 7.27602100372314, , , 0.400000005960464, 4.21874380111694, 0.0, 0.0, 0.0, 0.5, 1.0, 3.20102000236511, 0.0, 0.0, 1.0, 0.0, 2.12665247917175, 0.16666667163372, 0.816496610641479, 0.0, 0.0, 1.37965285778046, 0.0, 0.0, 0.266876935958862, 0.0, 0.0, 0.0, 1.0, -0.13503660261631, 1.0, 0.537457466125488, 0.0, 1.0, 0.0
InChI%3D1S%2FC2H3F%2Fc1-2-3%2Fh2H%2C1H2, 0.0, 0.0 0.0, 0.0, -0.00705485558137298, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 6.0, 6.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.66242146492004, 0.0, 0.626466155052185, 0.0, , 0.0, 0.0, 0.0, 0.154303357005119, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.50204420089722, 0.0, 0.0, 2.58178520202637, 0.0, 0.0, 4.0, 0.0, 36.8776245117188, 0.0, 0.0, 1.58178508281708, 1.0, 25.1212348937988, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.5563592910767, 0.0, 2.58496260643005, 0.0, 0.0, 0.0, 19.0100002288818, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.70710682868958, 0.0, 0.0, 0.5, 1.41421353816986, 1.0, 0.0, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0702685862779617, 0.0, 0.0, 0.0, 0.0, -0.0280794370919466, 0.0, 0.0, 0.0, 1.0, 0.0
InChI%3D1S%2FC17H19N3O3S%2Fc1-10-8-18-15%2811%282%2916%2810%2923-4%299-24%2821%2917-19-13-6-5-12%2822-3%297-14%2813%2920-17%2Fh5-8H%2C9H2%2C1-4H3%2C%28H%2C19%2C20%29, 0.0, 4.33941173553467 4.33941173553467, 3.82479858398438, -0.0552581325173378, 1.0, 2.0, 0.0, 6.55996513366699 6.55996513366699, 2.61286687850952, -0.0315533727407455, 0.0, 0.0, 8.71617889404297 8.71617889404297, 0.103092484176159, 0.0, 0.0, 0.857142865657806, 0.0, 0.0, 0.0, 126.0, 513.0, 1.65997159481049 1.65997159481049, 0.0, 0.0, 0.0, 0.0, 2.23488616943359 2.23488616943359, 0.0, 0.308606714010239, 0.0, 18.7810649871826, 0.0, 0.0, 2.46319174766541 2.46319174766541, 0.0, 8.13148307800293, 0.0962250456213951, 0.0, 0.0, 0.0, 4.06559991836548, 0.315235257148743, 0.025000000372529, 0.0, 0.0, 0.642931520938873, 14.4500036239624, 0.0907389521598816, 8.13193035125732, 0.154704570770264, , 7.65446805953979, 0.808433890342712, 0.0, 6.15263938903809, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.46849966049194, 2.0, 0.136204749345779, 0.0, 3.15320205688477, 4.0, 0.0, 0.0, 2.00326490402222, 0.0, 0.0, 0.0, 0.0, 1.20991802215576, 0.0, 93.4100036621094, 0.0, 0.719515800476074, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 33.5311241149902, 2.0, 0.0, 34.2214508056641, 0.0909090936183929, 0.0, 1419.0, 0.855542063713074, 1749.53820800781, 0.0, 0.0, 46.4125518798828, 3.27204895019531, 2051.87377929688, 0.0, 0.0, 51.0500640869141, 0.0, 0.0, 0.0, 0.0, 6.7122049331665, 2905.24584960938, 45.5007095336914, 5.58496236801147, 39.0, 2874.70043945312, 0.0, 1384.06994628906, 0.0, 2395.35083007812, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.814325273036957, 0.0, 2.0, 0.0, 8.0, 0.0, 17.267219543457, 0.0, 0.0, 0.461538463830948, 11.5284070968628, 0.0, 0.0, 0.0, 1.67072820663452, 0.0, 10.2978897094727, 0.0, 0.0, 2.40337419509888, 0.0, 9.13009738922119, 0.472201973199844, 11.2818155288696, 3.0, 0.0, 7.33065891265869, 4.0, 0.0, 0.635148584842682, 0.0, 0.0, 0.0, 1.0, -0.306336343288422, 0.0, 5.54295110702515, 1.0, 0.0, 0.0
InChI%3D1S%2FC2H2F4%2Fc3-1-2%284%2C5%296%2Fh1H2, 0.0, 1.06066012382507 1.06066012382507, 0.0, -0.161664739251137, 1.0, 0.0, 0.0, 0.353553384542465 0.353553384542465, 0.0, 0.112854935228825, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 24.0, 24.0, 0.0572702661156654 0.0572702661156654, 0.0, 0.0, 0.0, 0.0, 0.00721537554636598 0.00721537554636598, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.63265311717987, 0.0, 0.0, 0.0, 0.0, 5.33333349227905, 0.0, 0.0, 0.0, 0.0, 0.0, 2.71896457672119, 0.0, 1.1877613067627, 0.0, , 0.0, 0.178520336747169, 0.0, 0.748808205127716, 0.0, 0.0, 0.0, 0.0190900880843401, 0.0, 0.0, 0.151522874832153, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0081768035889, 0.0, 0.0, 7.32714033126831, 0.0, 0.0, 28.0, 0.0, 50.2172050476074, 0.0, 0.0, 13.83327293396, 0.0, 48.1998252868652, 1.0, 0.0, 7.50613260269165, 0.0, 0.0, 0.0, 0.0, 0.0, 53.7982864379883, 0.0, 3.58496260643005, 3.0, 18.4236164093018, 0.0, 19.0400009155273, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.207106590271, 0.0, 0.0, 0.333333343267441, 2.56066012382507, 0.0, 0.0, 0.0, 1.56066012382507, 0.0, 2.91421365737915, 0.0, 0.353553384542465, 0.0, 0.0, 1.06066012382507, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.407212108373642, 0.0, 1.0, 0.0, 0.0, -0.154796242713928, 0.0, 0.0, 0.0, 4.0, 0.0
InChI%3D1S%2FC9H8O4%2Fc10-7-3-1-6%285-8%287%2911%292-4-9%2812%2913%2Fh1-5%2C10-11H%2C%28H%2C12%2C13%29%2Fb4-2%2B, 0.0, 1.8026887178421 1.8026887178421, 1.142218708992, -0.0722370445728302, 0.0, 0.0, 0.0, 1.80753147602081 1.80753147602081, 0.638022303581238, 0.0472131818532944, 0.0, 0.0, 2.51422595977783 2.51422595977783, 0.0136766033247113, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 60.0, 157.0, 0.391465961933136 0.391465961933136, 0.0, 1.16340255737305, 0.0, 0.0, 0.371276557445526 0.371276557445526, 0.0, 0.0, 0.0, 11.0769233703613, 0.0, 0.0, 0.387579053640366 0.387579053640366, 0.0, 5.02422142028809, 0.0, 0.0, 0.0, 0.0, 3.70370364189148, 0.0680413842201233, 0.0, 3.0, 0.0, 0.184195280075073, 6.63664054870605, 0.0240562614053488, 3.52366209030151, 0.0354054644703865, , 2.10257887840271, 0.27802911400795, 0.0, 2.41972279548645, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.4178307056427, 0.0, 0.0166666675359011, 0.0, 0.811644434928894, 0.0, 0.0, 0.0, 0.520403027534485, 0.0, 0.0, 0.0, 0.0, 0.213545233011246, 0.0, 77.7600021362305, 0.0, 0.0839137211441994, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 16.0978755950928, 1.0, 0.0, 14.3283681869507, 0.0, 0.0, 270.0, 0.0, 593.827270507812, 1.0, 0.0, 19.7670211791992, 0.0, 652.186828613281, 0.0, 0.0, 17.7670211791992, 0.0, 0.0, 0.0, 0.0, 0.0, 816.09326171875, 11.6604595184326, 4.70043992996216, 15.0, 706.653442382812, 0.0, 285.040008544922, 0.0, 450.573394775391, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 5.0, 0.0, 9.84493541717529, 0.0, 0.0, 0.5, 6.09222412109375, 2.0, 0.0, 0.0, 1.08377695083618, 0.0, 5.60484266281128, 0.0, 0.0, 4.55655384063721, 0.0, 3.85904479026794, 0.16666667163372, 9.3907413482666, 0.0, 0.0, 2.49027848243713, 3.0, 0.0, 0.364778965711594, 0.0, 0.0, 0.0, 1.0, -0.14227195084095, 0.0, 2.07856464385986, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H18N3OP%2Fc1-7-4-10%287%2914%2813%2C11-5-8%2811%292%2912-6-9%2812%293%2Fh7-9H%2C4-6H2%2C1-3H3, 0.0, 3.12415623664856 3.12415623664856, 1.49578189849854, 0.432383269071579, 3.0, 0.0, 0.0, 5.51616716384888 5.51616716384888, 0.569035589694977, -0.347378015518188, 0.0, 0.0, 7.33290529251099 7.33290529251099, 0.0576184168457985, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 86.0, 145.0, 1.86773252487183 1.86773252487183, 0.0, 0.0, 0.0, 0.70710676908493, 2.75216841697693 2.75216841697693, 0.547722578048706, 0.0, 0.0, 9.2421875, 1.06066012382507, 0.0, 3.69058609008789 3.69058609008789, 1.5, 2.56790113449097, 0.353553384542465, 0.0, 1.0, 0.915329873561859, 1.22222220897675, 1.28617906570435, 0.367607325315475, 0.0, 0.0, 2.73115706443787, 9.27441596984863, 0.90119993686676, 5.8545241355896, 1.61390435695648, , 0.75, 1.13975882530212, 0.0, 5.5693998336792, 0.0, 0.0, 0.0, 0.0245071537792683, 0.0, 0.0, 3.85719609260559, 0.0, 0.207752674818039, 0.0, 2.66695809364319, 3.0, 0.0300150103867054, 0.0, 1.92078721523285, 0.0, 0.0, 0.0, 0.0, 1.20468366146088, 0.0, 35.9099998474121, 0.0, 0.458294034004211, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 21.504846572876, 0.0, 0.0, 25.4545764923096, 0.0, 0.0, 277.0, 0.5, 658.260437011719, 0.0, 0.0, 30.7119560241699, 2.44297575950623, 830.572814941406, 0.0, 0.0, 29.7232933044434, 0.0, 0.0, 0.0, 0.0, 3.07795667648315, 897.658264160156, 22.99338722229, 4.80735492706299, 21.0, 981.677673339844, 0.0, 974.049987792969, 0.0, 901.077575683594, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 10.0854215621948, 0.0, 0.0, 0.5, 6.54756593704224, 0.0, 0.0, 0.0, 1.65688526630402, 0.0, 6.824462890625, 3.0, 0.0962250456213951, 0.75, 0.0, 5.01814985275269, 0.526099443435669, 3.57165241241455, 0.0, 0.0, 3.77942204475403, 0.0, 0.0, 0.323306083679199, 0.117851130664349, 0.0, 0.0, 1.0, -0.326708167791367, 3.0, 2.55213809013367, 0.0, 0.0, 0.0
InChI%3D1S%2FC12Br10O%2Fc13-1-3%2815%297%2819%2911%288%2820%294%281%2916%2923-12-9%2821%295%2817%292%2814%296%2818%2910%2812%2922, 0.0, 6.86149024963379 6.86149024963379, 3.18065547943115, -0.298488467931747, 0.0, 1.0, 0.0, 9.97192478179932 9.97192478179932, 1.79964232444763, -0.028505040332675, 0.0, 0.0, 14.8875532150269 14.8875532150269, 0.123528055846691, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 122.0, 368.0, 11.1241140365601 11.1241140365601, 0.0, 0.0, 0.0, 0.0, 17.7992458343506 17.7992458343506, 0.0, 0.0, 0.0, 19.3263893127441, 0.0, 0.0, 25.9881248474121 25.9881248474121, 0.0, 7.08692455291748, 0.0, 0.0, 0.0, 0.0, 3.2544379234314, 0.0740740746259689, 0.0, 0.0, 0.0, 0.422748655080795, 26.0478591918945, 0.03125, 13.2280530929565, 0.319626659154892, , 22.3797340393066, 2.55701327323914, 0.0, 11.8301153182983, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.5842199325562, 0.0, 2.12901735305786, 0.0, 7.79506397247314, 0.0, 0.0, 0.0, 4.34945487976074, 0.0, 0.0, 0.0, 0.0, 2.70060682296753, 0.0, 9.22999954223633, 0.0, 1.34049153327942, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 456.355377197266, 0.0, 0.0, 81.1909408569336, 0.0, 0.0, 1096.0, 0.0, 3610.58837890625, 0.0, 0.0, 151.381881713867, 0.0, 4289.15673828125, 0.0, 0.0, 537.89453125, 0.0, 0.0, 0.0, 0.0, 0.0, 6266.685546875, 493.314270019531, 5.52356195449829, 46.0, 6869.4404296875, 0.0, 70.1100006103516, 0.0, 5245.12451171875, 12.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0, 0.0, 17.6353092193604, 10.0, 0.0, 0.5, 10.5899991989136, 0.0, 0.0, 0.0, 2.19666647911072, 0.0, 10.1545791625977, 0.0, 0.0, 0.0, 0.0, 9.88047313690186, 1.20315861701965, 0.0, 0.0, 0.0, 6.56309461593628, 0.0, 0.0, 0.513111114501953, 0.0, 0.0, 0.0, 0.0, -0.0549830123782158, 0.0, 4.59918737411499, 0.0, 0.0, 0.0
InChI%3D1S%2FC13H14Cl2O3%2Fc1-12%282%2C11%2816%2917%2918-9-5-3-8%284-6-9%2910-7-13%2810%2C14%2915%2Fh3-6%2C10H%2C7H2%2C1-2H3%2C%28H%2C16%2C17%29, 0.0, 4.65575790405273 4.65575790405273, 1.79766476154327, -0.151079133152962, 1.0, 1.0, 2.0, 4.4578537940979 4.4578537940979, 1.38413953781128, 0.168724611401558, 0.0, 0.0, 5.38220500946045 5.38220500946045, -0.00566408131271601, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 98.0, 292.0, 2.33361291885376 2.33361291885376, 0.0, 0.5, 0.0, 0.20412415266037, 2.13516902923584 2.13516902923584, 0.20412415266037, 0.666666686534882, 0.0, 14.4099721908569, 0.526099443435669, 0.0, 2.20566248893738 2.20566248893738, 0.0, 4.83555555343628, 0.235702261328697, 0.0, 0.0, 0.564972102642059, 3.32179927825928, 0.534517824649811, 0.231455028057098, 1.0, 0.0, 0.611966192722321, 11.6253547668457, 0.363080412149429, 6.3803915977478, 0.332137167453766, , 1.77103018760681, 2.25885272026062, 0.0, 6.54668951034546, 0.0, 2.77290391921997, 0.0, 0.364507406949997, 0.0, 0.0, 3.6277871131897, 0.0, 0.248154699802399, 0.0, 1.9515814781189, 2.0, 0.0186339002102613, 0.0, 1.29303812980652, 0.0, 0.0, 0.0, 0.0, 0.654129087924957, 0.0, 46.5299987792969, 0.0, 0.438279777765274, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 35.7489128112793, 3.0, 0.0, 24.2318420410156, 0.0, 0.0, 660.0, 0.5, 1129.82739257812, 1.0, 0.0, 45.6188163757324, 1.99053585529327, 1334.72595214844, 2.0, 0.0, 31.4449653625488, 0.0, 0.0, 0.0, 0.0, 2.00788974761963, 1690.16064453125, 28.8032245635986, 5.16992521286011, 24.0, 1475.34790039062, 0.0, 783.049987792969, 1.41421353816986, 1248.18127441406, 2.0, 0.0, 0.0, 0.0, 0.0, 0.142857149243355, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.0, 0.0, 13.5520420074463, 0.0, 0.0, 0.5, 8.22198104858398, 0.0, 0.0, 0.0, 2.87827062606812, 0.0, 8.92741012573242, 1.0, 0.40824830532074, 4.25141477584839, 0.0, 6.22370290756226, 0.873700141906738, 8.66465663909912, 0.0, 0.0, 3.81488442420959, 4.0, 0.0, 0.444113552570343, 0.20412415266037, 3.04661583900452, 0.0, 1.0, -0.188906595110893, 0.0, 3.0507926940918, 0.0, 0.0, 0.0
InChI%3D1S%2FC5H11NO2%2Fc1-3-5%284-2%296%287%298%2Fh5H%2C3-4H2%2C1-2H3, 0.0, 1.13807117938995 1.13807117938995, 0.0, -0.0229397993534803, 2.0, 0.0, 0.0, 1.30473780632019 1.30473780632019, 0.0, -0.0154998060315847, 0.0, 0.0, 0.333333343267441 0.333333343267441, -0.00122026947792619, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 30.0, 43.0, 0.424466192722321 0.424466192722321, 0.0, 0.5, 0.0, 0.0, 0.400776028633118 0.400776028633118, 0.0, 0.0, 0.0, 8.0, 0.0, 0.0, 0.0430331490933895 0.0430331490933895, 0.0, 3.9375, 0.0, 0.0, 0.0, 0.0, 2.8125, 0.0, 0.0, 0.0, 0.0, 0.0, 5.25527381896973, 0.0, 2.85405731201172, 0.0, , 0.0, 0.172132596373558, 0.0, 1.75567424297333, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.24064099788666, 0.0, 0.0215165745466948, 0.0, 0.586817502975464, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 45.8199996948242, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.90892601013184, 0.0, 0.0, 8.27311706542969, 0.0, 0.0, 67.0, 0.25, 253.120635986328, 0.0, 0.0, 9.77102375030518, 2.30940103530884, 247.869186401367, 0.0, 0.0, 9.66073799133301, 0.0, 0.0, 0.0, 0.0, 1.0, 259.322479248047, 6.32836771011353, 4.0, 8.0, 219.282913208008, 0.0, 268.029998779297, 0.0, 100.646934509277, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 6.56891393661499, 0.0, 0.0, 0.5, 3.71874403953552, 0.0, 0.0, 0.0, 0.5, 0.0, 2.8205931186676, 1.0, 0.0, 0.5, 0.0, 1.99156379699707, 0.16666667163372, 2.0, 0.0, 0.0, 1.23148417472839, 0.0, 0.0, 0.0652778372168541, 0.0, 0.0, 0.0, 2.0, 0.00702095637097955, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H9N.ClH%2Fc1-6-3-2-4-7%288%295-6%3B%2Fh2-5H%2C8H2%2C1H3%3B1H, 0.0, 0.741581618785858 0.741581618785858, 0.451184451580048, -0.00447583990171552, 0.0, 0.0, 0.0, 1.09341299533844 1.09341299533844, 0.0, -0.000332690862705931, 0.0, 0.0, 1.02022004127502 1.02022004127502, -1.98103334696498e-05, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 36.0, -1179869184.0, 0.28322646021843 0.28322646021843, 0.0, 0.0, 0.0, 0.0, 0.335636228322983 0.335636228322983, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.258594483137131 0.258594483137131, 0.0, 3.92000007629395, 0.0, 0.0, 0.0, 0.0, 2.88000011444092, 0.0833333358168602, 0.0, 0.0, 0.0, 0.16666667163372, 6.11149644851685, 0.0277777779847383, 2.61004233360291, 0.0438152849674225, , 0.5, 0.262891709804535, 1.0, 1.91413795948029, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.04212951660156, 0.0, 0.0, 0.0, 0.670121014118195, 1.0, 0.0, 0.0, 0.318447262048721, 0.0, 0.0, 0.0, 0.0, 0.115408346056938, 0.0, 26.0200004577637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.0727424621582, 1.0, 0.0, 8.16618537902832, 0.0, 0.0, 8000000000.0, 0.0, 391.420532226562, 0.0, 0.0, 10.3323707580566, 1.51967132091522, 405.953918457031, 0.0, 0.0, 7.33237028121948, 0.0, 0.0, 0.0, 0.0, 1.15470051765442, 482.301971435547, 3.33237051963806, 4.16992521286011, 7.0, 325.175811767578, 0.0, 252.020004272461, 0.0, 112.933876037598, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 5.98312759399414, 0.0, 0.0, 0.999000012874603, 3.78769373893738, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 3.37694931030273, 0.0, 0.0, 3.53277564048767, 0.0, 2.19858479499817, 0.0, 5.11154460906982, 0.0, 0.0, 1.73736357688904, 4.0, 0.0, 0.0269771013408899, 0.0, 0.0, 0.0, 0.0, -0.00866020936518908, 0.0, 0.971404492855072, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2, 0.0, 0.577350258827209 0.577350258827209, 0.0, -0.0746820494532585, 2.0, 0.0, 3.0, 0.288675129413605 0.288675129413605, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0248940158635378, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 20.0, 29.0, 0.742307484149933 0.742307484149933, 0.0, 0.0, 0.0, 0.0, 0.420848786830902 0.420848786830902, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0 0.0, 0.0, 3.20000004768372, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.39324426651001, 0.0, 3.07471776008606, 0.0, , 0.0, 0.327326834201813, 0.0, 2.14031529426575, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.70443499088287, 0.0, 0.0, 0.0, 0.371153742074966, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 29.1382598876953, 0.0, 0.0, 10.8552122116089, 0.0, 0.0, 31.0, 0.0, 310.086273193359, 0.0, 0.0, 12.8069496154785, 0.0, 289.183959960938, 0.0, 0.0, 23.3289813995361, 0.0, 0.0, 0.0, 0.0, 0.0, 263.730133056641, 8.71275329589844, 3.58496260643005, 4.0, 160.229598999023, 0.0, 70.0299987792969, 0.0, 32.0823135375977, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 4.99156379699707, 0.0, 0.0, 0.5, 2.80806040763855, 0.0, 0.0, 0.0, 0.288675129413605, 0.0, 1.92166829109192, 1.0, 0.0, 0.5, 0.0, 1.39384686946869, 0.0, 2.0, 0.0, 0.0, 0.288675129413605, 0.0, 0.0, 0.149364098906517, 0.0, 0.0, 0.0, 0.0, -0.0248940158635378, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H6O%2Fc1-2-3-4-5%2Fh2-4H%2C1H3%2Fb3-2-, 0.0, 0.0 0.0, 0.0, -0.0156823098659515, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0135728493332863, 0.0, 0.0, 0.0 0.0, -0.00878595560789108, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 14.0, 24.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.14029908180237, 0.0, 1.4797191619873, 0.0, , 0.0, 0.0, 0.0, 0.661866188049316, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.271017521619797, 0.0, 0.0, 0.0, 0.0785674229264259, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.77446889877319, 0.0, 0.0, 4.33209180831909, 0.0, 0.0, 20.0, 0.0, 131.091705322266, 0.0, 0.0, 3.33209204673767, 1.65096366405487, 110.655799865723, 0.0, 0.0, 2.33209204673767, 0.0, 0.0, 0.0, 0.0, 0.0, 79.1377639770508, 1.33209192752838, 3.32192802429199, 2.0, 44.8993453979492, 0.0, 80.0100021362305, 0.0, 17.0717945098877, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 4.12132024765015, 0.0, 0.0, 0.5, 2.41421365737915, 3.0, 0.0, 0.0, 0.0, 0.0, 1.35355341434479, 0.0, 0.0, 2.38110160827637, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.353553384542465, 0.0, 0.0, 0.138594746589661, 0.0, 0.0, 0.0, 1.0, -0.0584019608795643, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H6ClN.ClH%2Fc7-4-6-2-1-3-8-5-6%3B%2Fh1-3%2C5H%2C4H2%3B1H, 0.0, 0.492799282073975 0.492799282073975, 0.348461717367172, 0.00274968962185085, 1.0, 0.0, 1.0, 0.594861328601837 0.594861328601837, 0.144337564706802, -0.0377670302987099, 0.0, 0.0, 0.492799282073975 0.492799282073975, 0.0438475050032139, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 34.0, -1179869184.0, 0.254376620054245 0.254376620054245, 0.0, 0.0, 0.0, 0.0, 0.237054884433746 0.237054884433746, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.149319648742676 0.149319648742676, 0.0, 4.83950614929199, 0.0, 0.0, 0.0, 0.0, 2.88000011444092, 0.102062076330185, 0.0, 0.0, 0.0, 0.0721687823534012, 6.32235956192017, 0.0248451996594667, 2.91575193405151, 0.0175682101398706, , 0.0, 0.117851130664349, 0.0, 1.76216542720795, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.18570220470428, 0.0, 0.0, 0.0, 0.635264992713928, 0.0, 0.0, 0.0, 0.346842378377914, 0.0, 0.0, 0.0, 0.0, 0.104142971336842, 0.0, 12.8900003433228, 0.0, 0.0398409552872181, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 24.7854957580566, 1.0, 0.0, 10.2841081619263, 0.0, 0.0, 8000000000.0, 0.0, 389.760406494141, 0.0, 0.0, 11.2841081619263, 0.0, 397.193206787109, 0.0, 0.0, 11.2358455657959, 0.0, 0.0, 0.0, 0.0, 0.0, 444.167877197266, 7.39401006698608, 4.16992521286011, 7.0, 321.633178710938, 0.0, 153.029998779297, 0.0, 118.685508728027, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 5.81999111175537, 0.0, 0.0, 0.999000012874603, 3.9318516254425, 0.0, 0.0, 0.0, 0.20412415266037, 0.0, 2.91228413581848, 0.0, 0.0, 4.94145393371582, 0.0, 2.30209517478943, 0.0, 3.49413561820984, 1.0, 0.0, 1.59538793563843, 4.0, 0.0, 0.109555825591087, 0.0, 0.0, 0.0, 0.0, -0.0494030229747295, 0.0, 1.10517168045044, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H8N2S4.Zn%2Fc7-3%288%295-1-2-6-4%289%2910%3B%2Fh1-2H2%2C%28H2%2C5%2C7%2C8%29%28H2%2C6%2C9%2C10%29%3B%2Fq%3B%2B2%2Fp-2, 0.0, 0.577350258827209 0.577350258827209, , -0.00831829290837049, 2.0, 0.0, 0.0, 0.40824830532074 0.40824830532074, , 0.0959764569997787, 0.0, 0.0, 0.288675129413605 0.288675129413605, -0.0892288982868195, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 38.0, 820130816.0, 0.465306580066681 0.465306580066681, 0.0, 0.0, 0.0, 0.0, 0.329021424055099 0.329021424055099, 0.0, 0.0, 0.0, 13.580246925354, 0.0, 0.0, 0.147142857313156 0.147142857313156, 0.0, 8.10000038146973, 0.0, 0.0, 0.0, 0.0, 13.061224937439, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, , 0.200000002980232, 0.658042848110199, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 102.319999694824, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 64.8763885498047, 0.0, 0.0, 16.3438816070557, 0.0, 0.0, 10000000000.0, 0.0, 749.761352539062, 2.0, 0.0, 31.0417327880859, 0.0, 722.580505371094, 0.0, 0.0, 14.0391292572021, 0.0, 0.0, 0.0, 0.0, 0.0, 708.25146484375, 13.011510848999, 4.45943164825439, 7.0, 508.383331298828, 2.0, 115.069999694824, 0.0, 440.237365722656, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.999000012874603, , 0.0, 0.0, 0.0, 0.816496610641479, 2.0, , 0.0, 0.0, 1.0, 0.0, , 0.0, 1.63299322128296, 0.0, 0.0, , 0.0, 0.0, 0.222194135189056, 0.0, 0.0, 0.0, 0.0, -0.143250644207001, 0.0, , 0.0, 0.0, 0.0
InChI%3D1S%2FC18H16N2O7S2.2Na%2Fc1-10-7-11%282%2916%2828%2822%2C23%2924%298-14%2810%2919-20-15-9-17%2829%2825%2C26%2927%2912-5-3-4-6-13%2812%2918%2815%2921%3B%3B%2Fh3-9%2C21H%2C1-2H3%2C%28H%2C22%2C23%2C24%29%28H%2C25%2C26%2C27%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb20-19%2B%3B%3B, 0.0, 6.72638320922852 6.72638320922852, 5.13764667510986, -0.0386981777846813, 0.0, 0.0, 0.0, 10.4341831207275 10.4341831207275, 3.03216218948364, 0.0176983363926411, 0.0, 0.0, 14.8453550338745 14.8453550338745, -0.220536336302757, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 158.0, 1870457856.0, 2.18026781082153 2.18026781082153, 0.0, 3.48670125007629, 2.0, 0.0, 2.75587177276611 2.75587177276611, 0.0, 0.0, 0.0, 29.0322589874268, 0.0, 0.0, 3.25568318367004 3.25568318367004, 0.0, 10.9505205154419, 0.0, 0.0, 0.0, 0.0, 6.53333330154419, 0.184249803423882, 0.0, 1.0, 0.0, 0.438664078712463, 15.2503061294556, 0.0666533038020134, 9.12749290466309, 0.141372799873352, , 10.5928373336792, 1.1798859834671, 0.0, 7.17050361633301, 0.0, 0.0, 0.0, 0.0323152802884579, 0.0, 0.0, 4.89069652557373, 2.0, 0.253909438848495, 0.0, 3.36727428436279, 2.0, 0.00932861771434546, 0.0, 2.19462656974792, 0.0, 0.0, 0.0, 0.0, 1.19027280807495, 0.0, 176.110000610352, 0.0, 0.58619487285614, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 54.7243347167969, 4.0, 0.0, 50.7024192810059, 0.0, 0.0, 59000000512.0, 0.25, 2292.65795898438, 0.0, 0.0, 62.9798011779785, 2.21480870246887, 2716.92016601562, 0.0, 0.0, 68.0492248535156, 0.0, 0.0, 0.0, 0.0, 4.14073944091797, 4018.8955078125, 68.7629470825195, 5.95419645309448, 51.0, 4151.03271484375, 0.0, 1095.13000488281, 0.0, 3642.16870117188, 7.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 12.0, 0.0, 21.5601139068604, 0.0, 0.0, 0.999000012874603, 13.3918838500977, 0.0, 0.0, 0.0, 4.23710632324219, 2.0, 14.1755037307739, 0.0, 0.577350258827209, 5.14318466186523, 0.0, 10.2921543121338, 1.18675184249878, 16.8899765014648, 0.0, 0.0, 8.5538911819458, 7.0, 0.0, 0.722997784614563, 0.235702261328697, 0.0, 0.0, 4.0, -0.250396460294724, 0.0, 6.80223226547241, 0.0, 0.0, 0.0
InChI%3D1S%2FC15H10O7%2Fc16-7-4-10%2819%2912-11%285-7%2922-15%2814%2821%2913%2812%2920%296-1-2-8%2817%299%2818%293-6%2Fh1-5%2C16-19%2C21H, 0.0, 4.74640226364136 4.74640226364136, 4.11344289779663, -0.251307457685471, 0.0, 1.0, 0.0, 7.5570855140686 7.5570855140686, 2.80223941802979, -0.146527543663979, 0.0, 0.0, 11.1309700012207 11.1309700012207, 0.230812728404999, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 120.0, 368.0, 1.31305491924286 1.31305491924286, 0.0, 2.4663667678833, 0.0, 0.0, 1.70420050621033 1.70420050621033, 0.0, 1.41714465618134, 0.0, 16.84375, 0.0, 0.0, 2.05662989616394 2.05662989616394, 0.0, 6.48148155212402, 0.0, 0.0, 0.0, 0.0, 3.16534781455994, 0.168957859277725, 0.0, 5.0, 0.0, 0.533011436462402, 11.0940160751343, 0.0618999414145947, 6.34999465942383, 0.11434417963028, , 15.1241436004639, 0.687337934970856, 0.0, 4.93372344970703, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.44985365867615, 0.0, 0.115376368165016, 0.0, 2.38159418106079, 0.0, 0.0, 0.0, 1.62139940261841, 0.0, 0.0, 0.0, 0.0, 0.926616668701172, 0.0, 127.449996948242, 0.0, 0.529114484786987, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 27.4212837219238, 2.0, 0.0, 26.6567363739014, 0.0, 0.0, 986.0, 0.0, 1322.07177734375, 1.0, 0.0, 41.3134727478027, 0.0, 1593.6826171875, 0.0, 0.0, 48.6331558227539, 0.0, 0.0, 0.0, 0.0, 0.0, 2329.41552734375, 44.1858177185059, 5.45943164825439, 40.0, 2463.5390625, 0.0, 834.070007324219, 0.0, 2039.6943359375, 7.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 12.0, 0.0, 16.0161437988281, 0.0, 0.0, 0.5, 10.3799180984497, 0.0, 0.0, 0.0, 1.96120929718018, 0.0, 10.0367803573608, 2.0, 0.0, 2.60102272033691, 0.0, 8.61163425445557, 0.62265956401825, 15.9185342788696, 0.0, 0.0, 7.13195848464966, 5.0, 0.0, 0.730861186981201, 0.0, 0.0, 0.0, 1.0, -0.126953318715096, 0.0, 5.547278881073, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H8N2O2%2Fc1-10%289-12%298%2811%297-5-3-2-4-6-7%2Fh2-6H%2C1H3, 0.0, 1.70677959918976 1.70677959918976, 0.749133408069611, 0.0551848858594894, 0.0, 0.0, 0.0, 2.14343500137329 2.14343500137329, 0.446383982896805, -0.0864850506186485, 0.0, 0.0, 2.48146510124207 2.48146510124207, 0.0287821013480425, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 54.0, 127.0, 0.417923778295517 0.417923778295517, 0.0, 0.25, 0.0, 0.0, 0.42943599820137 0.42943599820137, 0.0, 0.0, 0.0, 10.0833330154419, 0.0, 0.0, 0.397046655416489 0.397046655416489, 0.0, 4.88888883590698, 0.0, 0.0, 0.0, 0.0, 2.77777767181396, 0.102062076330185, 0.0, 0.0, 0.0, 0.0589255653321743, 6.59767532348633, 0.0320750139653683, 3.41820240020752, 0.0160375069826841, , 1.0, 0.228976875543594, 0.0, 2.27643442153931, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.43712949752808, 0.0, 0.0356269292533398, 0.0, 0.804643392562866, 1.0, 0.0, 0.0, 0.461761653423309, 0.0, 0.0, 0.0, 0.0, 0.155487105250359, 0.0, 49.7400016784668, 0.0, 0.0712520033121109, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.2689142227173, 1.0, 0.0, 13.5779161453247, 0.0, 0.0, 202.0, 0.0, 535.942077636719, 1.0, 0.0, 16.9375801086426, 1.05421149730682, 586.662292480469, 0.0, 0.0, 17.7124824523926, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 722.033752441406, 13.4354858398438, 4.58496236801147, 15.0, 644.07080078125, 0.0, 268.040008544922, 0.0, 426.329650878906, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 5.0, 0.0, 8.97469139099121, 0.0, 0.0, 0.428571432828903, 5.75321865081787, 0.0, 0.0, 0.0, 0.594819009304047, 1.0, 4.64273881912231, 0.0, 0.0, 6.08364343643188, 0.0, 3.93491888046265, 0.232307806611061, 4.74510288238525, 0.0, 0.0, 2.49635076522827, 5.0, 0.0, 0.179676458239555, 0.0, 0.0, 0.0, 2.0, -0.0850052237510681, 1.0, 1.67180705070496, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H14O4%2Fc1-5-4-8%2811-6%282%299%2912-7%283%2910-5%2Fh5%2C7-8H%2C4H2%2C1-3H3, 0.0, 1.25592231750488 1.25592231750488, 1.33633148670197, 0.249255999922752, 1.0, 3.0, 0.0, 2.40841889381409 2.40841889381409, 0.291257828474045, -0.252439826726913, 0.0, 0.0, 2.43677186965942 2.43677186965942, 0.194190248847008, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 56.0, 114.0, 0.464261829853058 0.464261829853058, 0.0, 0.0, 0.0, 0.0, 0.732688903808594 0.732688903808594, 0.0, 0.825481832027435, 0.0, 10.0833330154419, 0.0, 0.0, 0.645101487636566 0.645101487636566, 0.0, 4.296875, 0.0, 0.0, 0.0, 0.0, 3.515625, 0.0680413842201233, 0.0, 0.0, 0.0, 0.184195280075073, 7.57215070724487, 0.0226804614067078, 4.05795669555664, 0.0546201802790165, , 2.38110160827637, 0.414266437292099, 0.0, 2.92510581016541, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.58915197849274, 0.0, 0.0, 0.0, 1.2160941362381, 3.0, 0.0, 0.0, 0.584344267845154, 0.0, 0.0, 0.0, 0.0, 0.368961304426193, 0.0, 44.7599983215332, 0.0, 0.0523368380963802, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 15.0978765487671, 0.0, 0.0, 14.3246440887451, 1.19055080413818, 0.0, 202.0, 0.57235711812973, 479.616424560547, 1.0, 0.0, 20.9801425933838, 0.944940805435181, 520.124084472656, 0.0, 0.0, 14.9925518035889, 0.0, 0.0, 0.0, 0.0, 4.44007921218872, 660.572082519531, 15.2093982696533, 4.58496236801147, 13.0, 558.152465820312, 0.0, 544.039978027344, 0.0, 429.277130126953, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 9.13782787322998, 0.0, 0.0, 0.5, 5.57538747787476, 0.0, 0.0, 0.0, 1.18972265720367, 0.0, 5.41302490234375, 3.0, 0.0, 0.0, 0.0, 3.0808801651001, 0.0, 2.30940103530884, 0.0, 0.0, 2.97274971008301, 0.0, 0.0, 0.582213878631592, 0.0, 0.0, 0.0, 1.0, -0.398548871278763, 0.0, 1.64266431331635, 0.0, 0.0, 0.0
InChI%3D1S%2FC14H14ClN3O2S%2Fc1-8-4-3-5-10%289%288%292%2916-12-6-11%2815%2917-14%2818-12%2921-7-13%2819%2920%2Fh3-6H%2C7H2%2C1-2H3%2C%28H%2C19%2C20%29%28H%2C16%2C17%2C18%29, 0.0, 2.97171974182129 2.97171974182129, 2.72409915924072, 0.106676645576954, 2.0, 0.0, 1.0, 4.24176168441772 4.24176168441772, 1.88826680183411, -0.156487852334976, 0.0, 0.0, 5.58577871322632 5.58577871322632, 0.0368215441703796, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 0.0, 104.0, 372.0, 1.56612730026245 1.56612730026245, 0.0, 0.5, 0.0, 0.0, 2.05324554443359 2.05324554443359, 0.0, 0.0, 1.0, 17.3553714752197, 0.0, 0.0, 2.3294997215271 2.3294997215271, 0.0, 8.0222225189209, 0.0, 0.0, 0.0, 0.0, 5.28979587554932, 0.136082768440247, 0.0, 1.0, 0.0, 0.348461717367172, 13.4622783660889, 0.0535190440714359, 8.07812786102295, 0.141539007425308, , 6.06963872909546, 0.885725677013397, 0.0, 6.46521902084351, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.48858690261841, 0.0, 0.104443646967411, 0.0, 3.10524916648865, 2.0, 0.0, 0.0, 2.03520154953003, 0.0, 0.0, 0.0, 0.0, 1.23654365539551, 0.0, 99.0199966430664, 0.0, 0.73370498418808, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 37.469409942627, 2.0, 0.0, 28.9526023864746, 0.0, 0.0, 996.0, 0.333333343267441, 1548.83410644531, 2.0, 0.0, 43.2802772521973, 2.35995244979858, 1760.39465332031, 0.0, 0.0, 43.0176963806152, 0.0, 0.0, 0.0, 0.0, 3.82938742637634, 2330.14379882812, 42.5695838928223, 5.39231729507446, 29.0, 2270.53857421875, 0.0, 1180.06994628906, 0.0, 1917.17565917969, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 1.19055080413818, 0.0, 0.0, 0.0, 5.0, 0.0, 15.4054126739502, 0.0, 0.0, 0.454545468091965, 9.95239734649658, 0.0, 2.0, 0.0, 1.69999074935913, 1.0, 9.27861309051514, 2.0, 0.0, 2.64142823219299, 0.0, 6.80193853378296, 0.232307806611061, 10.0409135818481, 0.0, 0.0, 5.34840679168701, 3.0, 0.0, 0.476993411779404, 0.0, 0.0, 0.0, 1.0, -0.276039630174637, 0.0, 4.09283113479614, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H14O%2Fc1-7-4-8%2810%296-9%282%2C3%295-7%2Fh4H%2C5-6H2%2C1-3H3, 0.0, 1.60760700702667 1.60760700702667, 0.888071179389954, -0.0288949124515057, 2.0, 0.0, 0.0, 3.65504050254822 3.65504050254822, 0.0, 0.0151210743933916, 0.0, 0.0, 3.25038290023804 3.25038290023804, -0.0129277408123016, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 50.0, 70.0, 1.14101088047028 1.14101088047028, 0.0, 0.0, 0.0, 0.0, 2.11472511291504 2.11472511291504, 0.0, 0.0, 0.0, 8.10000038146973, 0.0, 0.0, 1.65225005149841 1.65225005149841, 0.0, 2.55999994277954, 0.0, 1.0, 0.0, 0.0, 2.28571438789368, 0.0589255653321743, 0.0, 0.0, 0.0, 0.235702261328697, 6.8998122215271, 0.0360843911767006, 3.69568800926208, 0.122984565794468, , 0.5, 1.49456429481506, 0.0, 3.97477006912231, 0.0, 1.0, 0.0, 0.25, 0.0, 0.0, 1.81756365299225, 0.0, 0.0, 0.0, 1.66589295864105, 3.0, 0.0, 0.0, 0.580510377883911, 0.0, 0.0, 0.0, 0.0, 0.415213376283646, 0.0, 17.0699996948242, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 10.7744693756104, 0.0, 0.0, 10.3320922851562, 0.0, 0.0, 109.0, 0.944940805435181, 578.768005371094, 2.0, 0.0, 15.6641836166382, 3.57165241241455, 642.936950683594, 1.0, 0.0, 11.6641836166382, 0.0, 0.0, 0.0, 0.0, 2.40187382698059, 873.716613769531, 10.3283681869507, 4.32192802429199, 11.0, 624.490844726562, 0.0, 486.010009765625, 2.0800838470459, 376.789611816406, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 2.0, 0.0, 7.77602100372314, 0.0, 0.0, 0.25, 4.49480056762695, 1.0, 0.0, 0.0, 1.78445708751678, 0.0, 5.01850748062134, 0.0, 0.25, 1.5, 0.0, 2.60683298110962, 0.0, 4.1601676940918, 0.0, 0.0, 2.82353281974792, 0.0, 0.0, 0.124263778328896, 0.0, 2.0800838470459, 0.0, 1.0, -0.0354303121566772, 0.0, 1.02022004127502, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H6O3%2Fc8-5-1-2-6-7%283-5%2910-4-9-6%2Fh1-3%2C8H%2C4H2, 0.0, 1.29197371006012 1.29197371006012, 1.23621129989624, 0.0918945372104645, 1.0, 2.0, 0.0, 1.95425176620483 1.95425176620483, 0.668470025062561, -0.0764918774366379, 0.0, 0.0, 2.23966002464294 2.23966002464294, 0.0343445725739002, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 52.0, 86.0, 0.343271672725677 0.343271672725677, 0.0, 0.0, 0.0, 0.0, 0.418364018201828 0.418364018201828, 0.0, 0.447213590145111, 0.0, 6.69421482086182, 0.0, 0.0, 0.357420712709427 0.357420712709427, 0.0, 2.55999994277954, 0.117851130664349, 0.0, 0.0, 0.0, 1.24099719524384, 0.234708055853844, 0.0294627826660872, 1.0, 0.0, 0.330230087041855, 5.20286798477173, 0.0580769516527653, 2.94723916053772, 0.058547168970108, , 1.65096366405487, 0.192386731505394, 0.0, 2.03756427764893, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.35615253448486, 0.0, 0.0138888889923692, 0.0, 0.885225236415863, 0.0, 0.0, 0.0, 0.499630033969879, 0.0, 0.0, 0.0, 0.0, 0.21403905749321, 0.0, 38.689998626709, 0.0, 0.0907282754778862, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.3234071731567, 0.0, 0.0, 12.6604595184326, 0.5, 0.0, 108.0, 0.0, 427.274810791016, 0.0, 0.0, 17.7670211791992, 0.0, 490.998901367188, 0.0, 0.0, 12.9925518035889, 0.0, 0.0, 0.0, 0.0, 0.0, 658.041564941406, 7.77074480056763, 4.32192802429199, 11.0, 461.595001220703, 0.0, 199.029998779297, 0.0, 220.76725769043, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 6.97469139099121, 0.0, 0.0, 0.400000005960464, 4.86017322540283, 0.0, 0.0, 0.0, 0.622008442878723, 0.0, 4.36928701400757, 0.0, 0.0, 2.44948983192444, 0.0, 3.55187177658081, 0.0833333358168602, 6.89817905426025, 0.0, 0.0, 2.93724489212036, 3.0, 0.0, 0.423450261354446, 0.0, 0.0, 0.0, 0.0, -0.268928557634354, 0.0, 2.07214522361755, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H15N3O%2Fc1-6-4-10%288-11%295-7%282%299%286%293%2Fh6-7H%2C4-5H2%2C1-3H3, , 2.11262774467468 2.11262774467468, 0.922798097133636, -0.0320557951927185, 2.0, 0.0, 0.0, 2.67232036590576 2.67232036590576, 0.300789654254913, 0.0512915141880512, , 0.0, 3.43565249443054 3.43565249443054, -0.0342541374266148, , 0.0, 0.5, 0.0, 0.0, 0.0, 52.0, 99.0, 1.40452194213867 1.40452194213867, 0.0, 0.0, 0.0, 0.0, 1.58225953578949 1.58225953578949, 0.0, 0.0, 0.0, 9.09090900421143, 0.0, 0.0, 1.71770644187927 1.71770644187927, 0.333333343267441, 3.59999990463257, 0.0, 0.0, 0.0, 0.0, 1.9753086566925, 0.0555555559694767, 0.0, 0.0, 0.0, 0.205950379371643, 7.31880331039429, 0.0333333350718021, 3.94983816146851, 0.114907123148441, , 0.5, 0.614219546318054, 0.0, 3.31675934791565, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.45592308044434, 0.0, 0.210818514227867, , 1.44320571422577, 3.0, 0.0, 0.0, 0.770496428012848, 0.0, , , 0.0, 0.393541038036346, 0.0, 35.9099998474121, 0.0, 0.0960515365004539, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.8544330596924, 0.0, 0.0, 12.7443799972534, 0.0, , 148.0, 0.908560276031494, 572.942687988281, 0.0, 0.0, 16.8829479217529, 2.0800838470459, 638.022399902344, 0.0, 0.0, 16.6889133453369, 0.0, 0.0, 0.0, , 3.30192732810974, 841.944946289062, 10.5227279663086, 4.45943164825439, 15.0, 739.411865234375, 0.0, 566.039978027344, 0.0, 361.030700683594, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 2.0, 0.0, 8.43072128295898, , , 0.333333343267441, 5.14706563949585, 0.0, 0.0, 0.0, 0.867978751659393, 1.0, 4.55936288833618, 2.0, 0.0, 0.5, 0.0, 3.78272390365601, 0.272165536880493, 2.30940103530884, 0.0, 0.0, 2.47126626968384, 0.0, 0.0, 0.157453954219818, 0.0, 0.0, 0.0, 1.0, -0.0850270092487335, 2.0, 1.70471298694611, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H7NO3%2Fc1-11-7-5-3-2-4-6%287%298%289%2910%2Fh2-5H%2C1H3, 0.0, 1.48758697509766 1.48758697509766, 0.702221035957336, -0.0701965540647507, 0.0, 1.0, 0.0, 2.22699189186096 2.22699189186096, 0.34432190656662, -0.0283223837614059, 0.0, 0.0, 2.58764219284058 2.58764219284058, 0.0949089005589485, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 50.0, 89.0, 0.347062289714813 0.347062289714813, 0.0, 0.5, 0.0, 0.0, 0.409329682588577 0.409329682588577, 0.0, 0.5, 0.0, 9.09090900421143, 0.0, 0.0, 0.345112711191177 0.345112711191177, 0.0, 4.13265323638916, 0.0, 0.0, 0.0, 0.0, 2.21453285217285, 0.0833333358168602, 0.0, 0.0, 0.0, 0.107038088142872, 5.98135948181152, 0.0277777779847383, 3.02847790718079, 0.0237628296017647, , 1.0, 0.160743087530136, 0.0, 1.92895865440369, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.28186655044556, 0.0, 0.0259728021919727, 0.0, 0.780607521533966, 1.0, 0.0, 0.0, 0.431488394737244, 0.0, 0.0, 0.0, 0.0, 0.127702206373215, 0.0, 55.0499992370605, 0.0, 0.0480379872024059, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 13.6833953857422, 0.0, 0.0, 12.9373016357422, 0.0, 0.0, 150.0, 0.0, 433.404205322266, 0.0, 0.0, 16.4352073669434, 1.01626551151276, 477.553131103516, 0.0, 0.0, 16.8783874511719, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 597.202575683594, 14.5417680740356, 4.45943164825439, 14.0, 534.106994628906, 0.0, 214.039993286133, 0.0, 316.810821533203, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 8.26758480072021, 0.0, 0.0, 0.400000005960464, 5.25321865081787, 0.0, 0.0, 0.0, 0.636082768440247, 0.0, 4.36065673828125, 0.0, 0.0, 3.96540641784668, 0.0, 3.34855341911316, 0.20412415266037, 4.29827976226807, 0.0, 0.0, 2.62088251113892, 4.0, 0.0, 0.249770432710648, 0.0, 0.0, 0.0, 2.0, -0.0751471146941185, 0.0, 1.79927670955658, 0.0, 0.0, 0.0
InChI%3D1S%2FC6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299, 0.0, 3.64273452758789 3.64273452758789, 0.829344630241394, -0.149364098906517, 0.0, 0.0, 6.0, 4.97606754302979 4.97606754302979, 0.222222223877907, -0.0746820494532585, 0.0, 0.0, 7.01965713500977 7.01965713500977, 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 60.0, 102.0, 2.77899146080017 2.77899146080017, 0.0, 0.0, 0.0, 0.0, 3.65978360176086 3.65978360176086, 0.0, 0.0, 0.0, 10.0833330154419, 0.0, 0.0, 4.78164720535278 4.78164720535278, 0.0, 3.3950617313385, 0.0, 0.0, 0.0, 0.0, 1.5625, 0.0370370373129845, 0.0, 0.0, 0.0, 0.222222223877907, 9.80336093902588, 0.015625, 4.90168046951294, 0.106302507221699, , 9.12546539306641, 0.85042005777359, 0.0, 4.15168046951294, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0044116973877, 0.0, 0.482142865657806, 0.0, 2.00220584869385, 0.0, 0.0, 0.0, 1.00110292434692, 0.0, 0.0, 0.0, 0.0, 0.45367643237114, 0.0, 0.0, 0.0, 0.120535716414452, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 58.2765197753906, 0.0, 0.0, 23.7104244232178, 0.0, 0.0, 174.0, 0.0, 1112.02917480469, 0.0, 0.0, 41.4208488464355, 0.0, 1287.06384277344, 0.0, 0.0, 90.6973724365234, 0.0, 0.0, 0.0, 0.0, 0.0, 1797.39135742188, 69.986946105957, 4.58496236801147, 21.0, 1744.31628417969, 0.0, 12.0600004196167, 0.0, 845.620544433594, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 9.46410179138184, 0.0, 0.0, 0.200000002980232, 5.46410179138184, 0.0, 0.0, 0.0, 1.15470051765442, 0.0, 5.154700756073, 0.0, 0.0, 0.0, 0.0, 4.97606754302979, 0.666666686534882, 0.0, 0.0, 0.0, 2.87293410301208, 0.0, 0.0, 0.298728197813034, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.65868926048279, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H11NO2%2Fc1-13-12%2814%2915-11-8-4-6-9-5-2-3-7-10%289%2911%2Fh2-8H%2C1H3%2C%28H%2C13%2C14%29, , 1.81439781188965 1.81439781188965, 2.09264492988586, 0.212136849761009, 0.0, 1.0, , 2.83498930931091 2.83498930931091, 1.38631558418274, -0.097599595785141, , , 3.97108125686646 3.97108125686646, 0.000479903683299199, , 0.0, 1.0, , 0.0, , 74.0, 194.0, 0.570337891578674 0.570337891578674, , 0.0, , 0.0, 0.765579283237457 0.765579283237457, 0.0, 0.5, , 11.484375, 0.0, , 0.857429087162018 0.857429087162018, 0.0, 5.36507940292358, 0.0, 0.0, , 0.0, 2.76543211936951, 0.151374712586403, 0.0, 1.0, 0.0, 0.251375645399094, 8.3441276550293, 0.0518340393900871, 4.62404251098633, 0.0675251036882401, , 3.14734530448914, 0.255252510309219, 0.0, 3.08552765846252, 0.0, 0.0, , 0.0, , 0.0, 2.14216327667236, 2.0, 0.0410666055977345, , 1.42868208885193, 1.0, 0.0, 0.0, 0.969816863536835, , , , 0.0, 0.464180260896683, , 41.8199996948242, 0.0, 0.250395506620407, , 0.0, 0.0, 0.0, , 0.0, 16.9089260101318, 2.0, , 17.3286457061768, 0.0, , 362.0, 0.0, 846.215026855469, 1.0, 0.0, 23.5455856323242, 1.07576775550842, 968.264526367188, 0.0, 0.0, 23.1587371826172, 0.0, 0.0, , , 1.01626551151276, 1294.69812011719, 18.9928302764893, 4.90689039230347, 21.0, 1243.97448730469, , 519.030029296875, 0.0, 913.325561523438, 1.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 0.0, 0.0, , , 0.0, 0.0, 0.0, 0.0, 8.0, 0.0, 10.6733617782593, , , 0.5, 7.30886173248291, 0.0, 0.0, 0.0, 0.75809121131897, 1.0, 6.14849710464478, 0.0, 0.0, 8.73702907562256, , 5.12524175643921, 0.136082768440247, 11.1401453018188, 0.0, , 4.04780149459839, 7.0, 0.0, 0.29770827293396, 0.0, 0.0, 0.0, 0.0, -0.271495074033737, 0.0, 3.36411070823669, , 0.0, 0.0
InChI%3D1S%2FC5H11Cl2NO%2Fc1-8%289%2C4-2-6%295-3-7%2Fh2-5H2%2C1H3, 0.0, 1.20710682868958 1.20710682868958, 0.125, -0.143815115094185, 4.0, 0.0, 2.0, 1.81066012382507 1.81066012382507, 0.0, 0.106687560677528, 0.0, 0.0, 0.853553414344788 0.853553414344788, -0.00509306415915489, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 36.0, 68.0, 0.627901375293732 0.627901375293732, 0.0, 0.0, 0.0, 0.0, 0.998519659042358 0.998519659042358, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.503441095352173 0.503441095352173, 0.0, 3.92000007629395, 0.0, 0.0, 0.0, 0.0, 4.5, 0.0, 0.0, 0.0, 0.0, 0.0, 6.95167589187622, 0.0, 3.86581087112427, 0.0, , 0.0, 0.573092758655548, 0.0, 2.87794232368469, 0.0, 0.0, 0.0, 0.0912870913743973, 0.0, 0.0, 1.45310807228088, 0.0, 0.0, 0.0, 1.18448424339294, 1.0, 0.0, 0.0, 0.253546267747879, 0.0, 0.0, 0.0, 0.0, 0.143747225403786, 0.0, 17.0699996948242, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 25.559965133667, 0.0, 0.0, 12.9554967880249, 0.0, 0.0, 96.0, 0.0, 431.784210205078, 0.0, 0.0, 15.2321214675903, 1.63299322128296, 431.270568847656, 0.0, 0.0, 13.5487289428711, 0.0, 0.0, 0.0, 0.0, 0.0, 486.783660888672, 20.6709213256836, 4.16992521286011, 8.0, 376.700927734375, 0.0, 289.040008544922, 0.0, 261.512512207031, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.3284273147583, 0.0, 0.0, 0.5, 4.12132024765015, 0.0, 0.0, 0.0, 1.20710682868958, 0.0, 3.66421365737915, 0.0, 0.25, 2.94168281555176, 0.0, 1.85355341434479, 0.0, 0.0, 0.0, 0.0, 1.47855341434479, 0.0, 0.0, 0.259307950735092, 0.0, 0.0, 0.0, 1.0, -0.0622541680932045, 0.0, 0.25, 0.0, 0.0, 0.0
InChI%3D1S%2FC14H19Cl2NO2%2Fc15-8-10-17%2811-9-16%2913-6-4-12%285-7-13%292-1-3-14%2818%2919%2Fh4-7H%2C1-3%2C8-11H2%2C%28H%2C18%2C19%29, 0.0, 1.66449689865112 1.66449689865112, 2.05220913887024, -0.0983399823307991, 7.0, 0.0, 2.0, 2.31749081611633 2.31749081611633, 1.27523279190063, 0.13393446803093, 0.0, 0.0, 2.72201633453369 2.72201633453369, -0.0159243531525135, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 84.0, 343.0, 0.743748545646667 0.743748545646667, 0.0, 0.5, 0.0, 0.0, 1.05117642879486 1.05117642879486, 0.0, 0.0, 0.0, 17.0526313781738, 0.0, 0.0, 1.15451741218567 1.15451741218567, 0.0, 9.83364868164062, 0.0, 0.0, 0.0, 0.0, 6.81656789779663, 0.0833333358168602, 0.0, 1.0, 0.0, 0.107038088142872, 12.329610824585, 0.0277777779847383, 7.41583490371704, 0.0320644564926624, , 0.685006737709045, 0.36873984336853, 0.0, 5.03468084335327, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.20450973510742, 0.0, 0.0372678004205227, 0.0, 2.29928851127625, 0.0, 0.0, 0.0, 1.51010203361511, 0.0, 0.0, 0.0, 0.0, 0.877377927303314, 0.0, 40.5400009155273, 0.0, 0.436116397380829, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 36.3344345092773, 1.0, 0.0, 24.0662136077881, 0.0, 0.0, 846.0, 0.0, 1153.22277832031, 1.0, 0.0, 29.0068683624268, 0.0, 1251.40393066406, 0.0, 0.0, 28.8810997009277, 0.0, 0.0, 0.0, 0.0, 0.0, 1534.23889160156, 30.6373195648193, 5.24792766571045, 23.0, 1555.71618652344, 0.0, 1102.05004882812, 0.0, 1372.50964355469, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.0, 0.0, 14.0875759124756, 0.0, 0.0, 0.5, 9.16823387145996, 0.0, 0.0, 0.0, 0.945705771446228, 0.0, 7.44298601150513, 0.0, 0.0, 15.6577882766724, 0.0, 5.2708568572998, 0.0833333358168602, 10.6466913223267, 0.0, 0.0, 4.12040996551514, 4.0, 0.0, 0.383713841438293, 0.0, 0.0, 0.0, 1.0, -0.177990913391113, 1.0, 3.07757043838501, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H6N2O2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-2H%2C3-4H2, 0.0, 0.492799282073975 0.492799282073975, 0.348461717367172, -0.0484479926526546, 2.0, 1.0, 0.0, 0.594861328601837 0.594861328601837, 0.144337564706802, 0.0549362823367119, 0.0, 0.0, 0.492799282073975 0.492799282073975, -0.0238798297941685, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 34.0, 60.0, 0.0977283865213394 0.0977283865213394, 0.0, 0.0, 0.0, 0.0, 0.0966604053974152 0.0966604053974152, 0.0, 0.333333343267441, 0.0, 6.125, 0.0, 0.0, 0.0719123482704163 0.0719123482704163, 0.0, 3.11111116409302, 0.0, 0.0, 0.0, 0.0, 1.79999995231628, 0.102062076330185, 0.0, 0.0, 0.0, 0.0721687823534012, 4.27983808517456, 0.0304290316998959, 2.31988120079041, 0.0136082759127021, , 0.0, 0.0577350258827209, 0.0, 1.38356494903564, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.839112281799316, 0.0, 0.0, 0.0, 0.471429884433746, 0.0, 0.0, 0.0, 0.268005818128586, 0.0, 0.0, 0.0, 0.0, 0.0486815720796585, 0.0, 41.9000015258789, 0.0, 0.0111111113801599, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.2689142227173, 0.0, 0.0, 9.96519756317139, 0.0, 0.0, 64.0, 0.0, 265.990264892578, 0.0, 0.0, 11.2696714401245, 0.0, 278.521118164062, 0.0, 0.0, 8.9372091293335, 0.0, 0.0, 0.0, 0.0, 0.0, 310.947265625, 3.83036923408508, 4.0, 7.0, 212.722015380859, 0.0, 140.039993286133, 0.0, 67.0353469848633, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 1.0, 0.0, 0.0, 5.81999111175537, 0.0, 0.0, 0.400000005960464, 3.9318516254425, 2.0, 0.0, 0.0, 0.20412415266037, 1.0, 2.91228413581848, 0.0, 0.0, 3.96540641784668, 0.0, 2.30209517478943, 0.0, 0.0, 0.0, 0.0, 1.59538793563843, 0.0, 0.0, 0.147481873631477, 0.0, 0.0, 0.0, 1.0, -0.055682860314846, 1.0, 1.10517168045044, 0.0, 0.0, 0.0
InChI%3D1S%2FC15H10F3NO%2Fc16-15%2817%2C18%2914%2820%2919-11-5-6-13-10%288-11%297-9-3-1-2-4-12%289%2913%2Fh1-6%2C8H%2C7H2%2C%28H%2C19%2C20%29, 0.0, 4.35027503967285 4.35027503967285, 3.40921974182129, -0.212783128023148, 1.0, 0.0, 0.0, 5.26935577392578 5.26935577392578, 2.65972423553467, 0.232990235090256, 0.0, 0.0, 7.16660213470459 7.16660213470459, -0.0312727019190788, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 110.0, 342.0, 1.16830015182495 1.16830015182495, 0.0, 0.0, 0.0, 0.0, 1.61710619926453 1.61710619926453, 0.0, 0.0, 0.0, 14.9173555374146, 0.0, 0.0, 1.88057208061218 1.88057208061218, 0.0, 5.65289258956909, 0.0785674229264259, 0.0, 0.0, 0.0, 3.12244892120361, 0.37359693646431, 0.0441941730678082, 0.0, 0.0, 0.628175258636475, 10.2906999588013, 0.153896108269691, 6.0435619354248, 0.219937637448311, , 5.9316611289978, 0.616966426372528, 0.0, 4.65773344039917, 0.0, 1.4816472530365, 0.0, 0.0134987309575081, 0.0, 0.0, 3.30901336669922, 0.0, 0.101629339158535, 0.0, 2.42484259605408, 0.0, 0.00275541702285409, 0.0, 1.70747196674347, 0.0, 0.0, 0.0, 0.0, 1.0067013502121, 0.0, 29.1000003814697, 0.0, 0.651005148887634, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 25.640588760376, 4.0, 0.0, 24.409818649292, 0.0, 0.0, 828.0, 0.0, 1184.48718261719, 1.0, 0.0, 40.6356010437012, 0.0, 1427.49633789062, 1.0, 0.0, 37.5196762084961, 0.0, 0.0, 0.0, 0.0, 0.0, 2080.86767578125, 26.7419090270996, 5.32192802429199, 31.0, 1924.634765625, 0.0, 644.049987792969, 0.0, 1465.00964355469, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.0, 0.0, 14.3280630111694, 0.0, 0.0, 0.5, 9.44850826263428, 0.0, 1.0, 0.0, 2.37977266311646, 0.0, 9.54988098144531, 0.0, 0.288675129413605, 9.72837352752686, 0.0, 7.43842792510986, 0.80401074886322, 17.9952964782715, 0.0, 0.0, 5.76847648620605, 7.0, 0.0, 0.50397801399231, 0.20412415266037, 1.26940941810608, 0.0, 1.0, -0.222487777471542, 0.0, 4.91395950317383, 0.0, 3.0, 0.0
InChI%3D1S%2FC24H31FO6%2Fc1-20%282%2930-19-10-16-15-6-5-13-9-14%2827%297-8-21%2813%2C3%2923%2815%2C25%2917%2828%2911-22%2816%2C4%2924%2819%2C31-20%2918%2829%2912-26%2Fh7-9%2C15-17%2C19%2C26%2C28H%2C5-6%2C10-12H2%2C1-4H3%2Ft15-%2C16-%2C17-%2C19%2B%2C21-%2C22-%2C23%3F%2C24%3F%2Fm0%2Fs1, 0.0, 11.5722684860229 11.5722684860229, 8.07629299163818, -0.273775815963745, 5.0, 2.0, 0.0, 21.8226432800293 21.8226432800293, 6.16481304168701, 0.156922876834869, 0.0, 0.0, 35.8520851135254 35.8520851135254, 0.0805455148220062, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 192.0, 618.0, 6.66245937347412 6.66245937347412, 0.0, 0.858639419078827, 0.0, 0.0, 11.8097715377808 11.8097715377808, 0.0, 1.48225665092468, 0.0, 22.7755107879639, 0.0, 0.0, 17.4592800140381 17.4592800140381, 0.0, 6.78043556213379, 0.131094351410866, 2.0, 0.0, 0.0, 2.60609412193298, 0.659699559211731, 0.0829818248748779, 2.0, 0.0, 1.7623929977417, 18.4823703765869, 0.395528703927994, 11.189453125, 0.953006088733673, , 5.8510856628418, 2.83714151382446, 0.0, 10.9257574081421, 0.0, 12.2928695678711, 0.0, 0.31852400302887, 0.0, 0.0, 9.19174480438232, 0.0, 1.18914043903351, 0.0, 7.92617177963257, 4.0, 0.333761900663376, 0.0, 6.30659961700439, 0.0, 0.0, 0.0, 0.0, 4.51853799819946, 0.0, 93.0599975585938, 0.0, 3.31069803237915, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 37.1488571166992, 4.0, 0.0, 38.2385215759277, 0.5, 0.0, 2185.0, 1.11485111713409, 2802.47875976562, 3.0, 0.0, 68.8332977294922, 6.07425451278687, 3640.07934570312, 5.0, 0.0, 87.460205078125, 0.0, 0.0, 0.0, 0.0, 6.04885482788086, 6228.15283203125, 86.7638854980469, 5.95419645309448, 76.0, 7251.33837890625, 0.0, 3426.07006835938, 5.94326400756836, 6501.88916015625, 0.0, 0.0, 0.0, 0.0, 0.0, 3.32536125183105, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 5.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 7.0, 0.0, 22.6125202178955, 0.0, 0.0, 0.5, 14.3547916412354, 3.0, 0.0, 0.0, 4.62699222564697, 0.0, 15.4170093536377, 4.0, 0.596383035182953, 7.09832334518433, 0.0, 14.0214624404907, 2.37301301956177, 17.4951725006104, 0.0, 0.0, 12.443883895874, 0.0, 0.0, 0.85299164056778, 0.766801655292511, 11.4071226119995, 0.0, 2.0, -0.267113268375397, 0.0, 10.8698434829712, 0.0, 1.0, 0.0
InChI%3D1S%2FC21H27N5O2S.3ClH%2Fc1-15-4-5-16%2811-23-15%2910-17-12-24-21%2825-20%2817%2927%2922-8-9-29-14-19-7-6-18%2828-19%2913-26%282%293%3B%3B%3B%2Fh4-7%2C11-12H%2C8-10%2C13-14H2%2C1-3H3%2C%28H2%2C22%2C24%2C25%2C27%29%3B3%2A1H, 0.0, 3.21157932281494 3.21157932281494, 3.74561190605164, 0.0828775316476822, 6.0, 0.0, 0.0, 4.58599519729614 4.58599519729614, 2.55435180664062, 0.0455118231475353, 0.0, 0.0, 5.65650701522827 5.65650701522827, -0.07143484801054, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 144.0, 1870457856.0, 1.3934051990509 1.3934051990509, 0.0, 0.0, 0.0, 0.0, 1.69862961769104 1.69862961769104, 0.0, 0.100000001490116, 1.0, 32.0, 0.0, 0.0, 1.84919989109039 1.84919989109039, 0.0, 16.5972633361816, 0.117851130664349, 0.0, 0.0, 0.0, 11.328125, 0.318041384220123, 0.0340206921100616, 1.0, 0.0, 0.472488969564438, 21.8801746368408, 0.0990918800234795, 11.0935544967651, 0.141148149967194, , 3.83851146697998, 1.02694892883301, 0.0, 8.73599720001221, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.63245439529419, 0.0, 0.0372678004205227, 0.0, 3.86799645423889, 3.0, 0.0, 0.0, 2.688560962677, 0.0, 0.0, 0.0, 0.0, 1.61903190612793, 0.0, 111.220001220703, 0.0, 1.06072759628296, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 64.6148910522461, 2.0, 0.0, 37.1638832092285, 0.0, 0.0, 89999998976.0, 0.323165208101273, 1937.79455566406, 1.0, 0.0, 48.7967567443848, 3.9998881816864, 2135.68798828125, 0.0, 0.0, 46.7174301147461, 0.0, 0.0, 0.0, 0.0, 2.47352862358093, 2750.009765625, 41.9403228759766, 6.0, 37.0, 2518.13745117188, 0.0, 3233.11010742188, 0.0, 2221.39233398438, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 8.0, 0.0, 0.0, 0.0, 1.65096366405487, 0.0, 0.0, 0.342918395996094, 8.0, 0.0, 20.6396179199219, 0.0, 0.0, 0.999000012874603, 13.9912033081055, 0.0, 2.0, 0.0, 1.91578888893127, 1.0, 12.5907039642334, 2.0, 0.0, 9.64526176452637, 0.0, 9.40638542175293, 0.117851130664349, 15.9546661376953, 1.0, 0.0, 7.5399432182312, 5.0, 0.0, 0.626937747001648, 0.0, 0.0, 1.0, 0.0, -0.384052008390427, 1.0, 5.80818891525269, 0.0, 0.0, 0.0
InChI%3D1S%2FC14H8O5%2Fc15-8-5-9%2816%2914%2819%2911-10%288%2912%2817%296-3-1-2-4-7%286%2913%2811%2918%2Fh1-5%2C15-16%2C19H, 0.0, 4.3491005897522 4.3491005897522, 3.65047097206116, -0.0316865593194962, 0.0, 0.0, 0.0, 7.69994640350342 7.69994640350342, 2.53844237327576, -0.173805385828018, 0.0, 0.0, 12.7544097900391 12.7544097900391, -0.242836996912956, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 106.0, 250.0, 1.24713397026062 1.24713397026062, 0.0, 2.20988535881042, 0.0, 0.0, 1.77001464366913 1.77001464366913, 0.0, 0.0, 0.0, 13.9591836929321, 0.0, 0.0, 2.27784895896912 2.27784895896912, 0.0, 5.080078125, 0.0, 0.0, 0.0, 0.0, 2.08601188659668, 0.16573129594326, 0.0, 3.0, 0.0, 0.453905135393143, 9.54488849639893, 0.0614449754357338, 5.48376941680908, 0.116451077163219, , 17.2629127502441, 0.556400775909424, 0.0, 4.21725702285767, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.12944197654724, 0.0, 0.135983243584633, 0.0, 2.24394965171814, 0.0, 0.0, 0.0, 1.55480360984802, 0.0, 0.0, 0.0, 0.0, 0.855168044567108, 0.0, 94.8300018310547, 0.0, 0.491572797298431, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 22.8723449707031, 4.0, 0.0, 22.6604595184326, 0.0, 0.0, 592.0, 0.0, 1242.82580566406, 2.0, 0.0, 35.3209190368652, 0.0, 1529.08776855469, 0.0, 0.0, 44.0879402160645, 0.0, 0.0, 0.0, 0.0, 0.0, 2303.86108398438, 43.3010635375977, 5.24792766571045, 38.0, 2518.5166015625, 0.0, 499.049987792969, 0.0, 2031.42248535156, 7.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 8.0, 0.0, 13.7316865921021, 0.0, 0.0, 0.5, 9.01974487304688, 0.0, 0.0, 0.0, 1.54314255714417, 0.0, 8.53448677062988, 0.0, 0.0, 3.81983685493469, 0.0, 7.78956651687622, 0.656827688217163, 14.0497217178345, 0.0, 0.0, 6.83024263381958, 5.0, 0.0, 0.502191245555878, 0.0, 0.0, 0.0, 2.0, -0.0496892891824245, 0.0, 5.66599321365356, 0.0, 0.0, 0.0
InChI%3D1S%2FC17H12O6%2Fc1-20-10-6-11-14%288-4-5-21-17%288%2922-11%2915-13%2810%297-2-3-9%2818%2912%287%2916%2819%2923-15%2Fh4-6%2C8%2C17H%2C2-3H2%2C1H3, 0.0, 4.77183055877686 4.77183055877686, 6.33019351959229, 0.162557229399681, 2.0, 4.0, 0.0, 9.372727394104 9.372727394104, 5.1583833694458, -0.390155106782913, 0.0, 0.0, 13.8004693984985 13.8004693984985, 0.457783937454224, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 138.0, 371.0, 2.01895928382874 2.01895928382874, 0.0, 0.25, 0.0, 0.0, 3.26357293128967 3.26357293128967, 0.0, 1.44741547107697, 0.0, 15.2702331542969, 0.0, 0.0, 3.96599912643433 3.96599912643433, 0.0, 5.5, 0.29264360666275, 0.0, 0.0, 0.0, 2.08284020423889, 0.661460280418396, 0.162714943289757, 0.0, 0.0, 1.16455733776093, 12.4051551818848, 0.263788491487503, 7.66728591918945, 0.357752442359924, , 21.3672943115234, 0.797630667686462, 0.0, 6.22032785415649, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.1489052772522, 0.0, 0.200447961688042, 0.0, 4.142991065979, 1.0, 0.0, 0.0, 2.76151323318481, 0.0, 0.0, 0.0, 0.0, 1.88165390491486, 0.0, 71.0599975585938, 0.0, 1.29783916473389, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 27.6468143463135, 5.0, 0.0, 30.3209190368652, 1.51622176170349, 0.0, 999.0, 0.0, 1635.28662109375, 2.0, 0.0, 47.8661346435547, 0.908832609653473, 2078.9736328125, 0.0, 0.0, 50.6418380737305, 0.0, 0.0, 0.0, 0.0, 2.4911732673645, 3283.14013671875, 53.1858177185059, 5.52356195449829, 44.0, 3314.45043945312, 0.0, 1175.06005859375, 0.0, 3050.47338867188, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 6.0, 0.0, 15.7148141860962, 0.0, 0.0, 0.444444447755814, 11.1858720779419, 2.0, 0.0, 0.0, 1.71298611164093, 0.0, 10.5820302963257, 4.0, 0.0, 2.52726197242737, 0.0, 9.92727088928223, 0.563091933727264, 16.7302055358887, 0.0, 0.0, 9.53385257720947, 1.0, 0.0, 0.874386966228485, 0.0, 0.0, 0.0, 2.0, -0.426560372114182, 0.0, 7.65975141525269, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H14O4%2Fc1-2-9%2813-5-11-7-15-11%294-10%283-1%2914-6-12-8-16-12%2Fh1-4%2C11-12H%2C5-8H2, 0.0, 1.10172760486603 1.10172760486603, 1.79911375045776, -0.186141282320023, 4.0, 4.0, 0.0, 1.40824830532074 1.40824830532074, 1.19570577144623, 0.115607000887394, 0.0, 0.0, 1.83155286312103 1.83155286312103, 0.136561840772629, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 84.0, 280.0, 0.33905890583992 0.33905890583992, 0.0, 0.0, 0.0, 0.577350258827209, 0.359042286872864 0.359042286872864, 0.333333343267441, 0.0, 0.0, 11.1111106872559, 0.40824830532074, 0.0, 0.391287118196487 0.391287118196487, 0.0, 5.10416650772095, 0.0, 0.0, 0.0, 0.235702261328697, 3.76923084259033, 0.25, 0.0, 0.0, 0.0, 0.353553384542465, 8.92552185058594, 0.0758903026580811, 5.48871374130249, 0.0782360136508942, , 1.53261888027191, 0.371785014867783, 0.0, 4.00755071640015, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.14869022369385, 0.0, 0.0, 0.0, 1.22457730770111, 0.0, 0.0, 0.0, 0.797466158866882, 0.0, 0.0, 0.0, 0.0, 0.427195847034454, 0.0, 43.5200004577637, 0.0, 0.23789669573307, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.0978755950928, 0.0, 0.0, 20.6567363739014, 1.17598414421082, 0.0, 509.0, 0.0, 714.406616210938, 0.0, 0.0, 20.6567363739014, 0.0, 814.649597167969, 0.0, 0.0, 20.5414905548096, 0.0, 0.0, 0.0, 0.0, 0.0, 889.694152832031, 17.1028366088867, 5.0, 17.0, 830.741027832031, 0.0, 784.039978027344, 0.0, 705.812133789062, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.0, 0.0, 10.7946825027466, 0.0, 0.0, 0.5, 7.89897966384888, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 6.94010877609253, 2.0, 0.0, 7.43807697296143, 0.0, 4.67423439025879, 0.0, 10.8086843490601, 0.0, 0.0, 3.44684481620789, 4.0, 0.0, 0.707682549953461, 0.0, 0.0, 0.0, 0.0, -0.306539952754974, 0.0, 2.67354035377502, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H5Cl%2Fc7-6-4-2-1-3-5-6%2Fh1-5H, , 0.40824830532074 0.40824830532074, 0.20412415266037, -0.00663653016090393, 0.0, , , 0.433012694120407 0.433012694120407, 0.0, -0.000509866105858237, , , 0.40824830532074 0.40824830532074, -2.07226748898393e-05, , 0.0, 0.333333343267441, , , , 30.0, 45.0, 0.218217894434929 0.218217894434929, , 0.0, , 0.0, 0.188982233405113 0.188982233405113, 0.0, 0.0, , 5.14285707473755, 0.0, , 0.145478591322899 0.145478591322899, 0.0, 2.34375, 0.0, 0.0, , 0.0, 1.5, 0.102062076330185, 0.0, , 0.0, 0.102062076330185, 4.5206446647644, 0.0320750139653683, 2.4776303768158, 0.0363696478307247, , 0.0, 0.188982233405113, 0.0, 1.73200392723083, 0.0, 0.0, , 0.0, , 0.0, 0.985086858272552, 0.0, 0.0, , 0.560145676136017, 0.0, 0.0, , 0.31843826174736, , , , 0.0, 0.0727392956614494, , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 14.7127532958984, 0.0, , 8.95173740386963, 0.0, , 42.0, 0.0, 338.915740966797, 0.0, 0.0, 11.9034748077393, 0.0, 351.276214599609, 0.0, 0.0, 8.90347480773926, 0.0, , , , 0.0, 386.591156005859, 2.95173740386963, 3.80735492706299, 5.0, 229.686569213867, , 102.01000213623, 0.0, 38.188850402832, 1.0, , , 0.0, , 0.0, 0.0, , 0.0, , , 0.0, 0.0, , , 0.0, 0.0, , , 0.0, 0.0, 0.0, 0.0, 6.0, , 5.11288404464722, , , 0.25, 3.3938467502594, 0.0, 0.0, , 0.288675129413605, , 2.74318218231201, 0.0, 0.0, 6.08364343643188, , 1.89384686946869, 0.0, 3.04182171821594, , , 1.30671286582947, 5.0, , 0.0398882701992989, 0.0, 0.0, , , -0.0127770155668259, , 0.901047587394714, , , 0.0
InChI%3D1S%2FC12H8O4%2Fc1-14-12-10-8%284-5-15-10%296-7-2-3-9%2813%2916-11%287%2912%2Fh2-6H%2C1H3, 0.0, 2.62204074859619 2.62204074859619, 3.19207620620728, -0.0773428231477737, 2.0, 2.0, 0.0, 4.64096927642822 4.64096927642822, 2.23402881622314, 0.223542675375938, 0.0, 0.0, 6.89129686355591 6.89129686355591, -0.139264136552811, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 88.0, 192.0, 0.86837100982666 0.86837100982666, 0.0, 0.0, 0.0, 0.0, 1.26510524749756 1.26510524749756, 0.0, 0.766309440135956, 0.0, 11.1111106872559, 0.0, 0.0, 1.53904378414154 1.53904378414154, 0.0, 4.34911251068115, 0.117851130664349, 0.0, 0.0, 0.0, 1.86121261119843, 0.264777004718781, 0.0340206921100616, 0.0, 0.0, 0.499433964490891, 8.77925777435303, 0.0802099108695984, 5.07103681564331, 0.118268802762032, , 7.27411651611328, 0.397414088249207, 0.0, 3.71108555793762, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.74800634384155, 2.0, 0.0586770139634609, 0.0, 2.00415182113647, 1.0, 0.0, 0.0, 1.38874006271362, 0.0, 0.0, 0.0, 0.0, 0.789670526981354, 0.0, 48.6699981689453, 0.0, 0.462070286273956, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.0978755950928, 2.0, 0.0, 20.3246440887451, 0.908560276031494, 0.0, 387.0, 0.0, 897.082885742188, 1.0, 0.0, 29.7632961273193, 0.964192509651184, 1082.38208007812, 0.0, 0.0, 30.5377655029297, 0.0, 0.0, 0.0, 0.0, 1.78549027442932, 1581.59851074219, 27.4274806976318, 5.0, 26.0, 1523.81433105469, 0.0, 544.039978027344, 0.0, 1186.849609375, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.0, 0.0, 11.1209554672241, 0.0, 0.0, 0.428571432828903, 7.79202508926392, 0.0, 0.0, 0.0, 1.03025674819946, 0.0, 7.00480175018311, 0.0, 0.0, 3.68599390983582, 0.0, 6.20495128631592, 0.247193872928619, 11.7452392578125, 0.0, 0.0, 5.53831052780151, 3.0, 0.0, 0.618269681930542, 0.0, 0.0, 1.0, 1.0, -0.32693549990654, 0.0, 4.54519033432007, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H6N2O2%2Fc12-11%2813%298-5-1-3-7-4-2-6-10-9%287%298%2Fh1-6H, 0.0, 1.88458144664764 1.88458144664764, 1.70910620689392, -0.057154655456543, 0.0, 0.0, 0.0, 3.02254009246826 3.02254009246826, 1.1527236700058, -0.0277461837977171, 0.0, 0.0, 4.2090048789978 4.2090048789978, 0.0610087960958481, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 66.0, 130.0, 0.520524203777313 0.520524203777313, 0.0, 0.5, 0.0, 0.0, 0.691280603408813 0.691280603408813, 0.0, 0.0, 0.0, 9.55102062225342, 0.0, 0.0, 0.74322247505188 0.74322247505188, 0.0, 4.02216053009033, 0.0, 0.0, 0.0, 0.0, 1.91999995708466, 0.151374712586403, 0.0, 0.0, 0.0, 0.24254684150219, 6.67502546310425, 0.0455728359520435, 3.76991963386536, 0.0585863515734673, , 2.38110160827637, 0.241052553057671, 0.0, 2.60936951637268, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.8081157207489, 2.0, 0.0438259430229664, 0.0, 1.23543560504913, 0.0, 0.0, 0.0, 0.799857139587402, 0.0, 0.0, 0.0, 0.0, 0.350372791290283, 0.0, 58.7099990844727, 0.0, 0.180684030056, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 15.2689142227173, 1.0, 0.0, 15.6054878234863, 0.0, 0.0, 226.0, 0.0, 666.318420410156, 0.0, 0.0, 21.2695789337158, 0.0, 774.993591308594, 0.0, 0.0, 21.5192813873291, 0.0, 0.0, 0.0, 0.0, 0.0, 1048.83264160156, 18.100040435791, 4.70043992996216, 19.0, 976.756591796875, 0.0, 244.039993286133, 0.0, 624.944458007812, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 7.0, 0.0, 9.25914859771729, 0.0, 0.0, 0.5, 6.2876935005188, 0.0, 0.0, 0.0, 0.772165536880493, 0.0, 5.54716634750366, 0.0, 0.0, 6.28816270828247, 0.0, 4.48649168014526, 0.259679704904556, 8.30252838134766, 1.0, 0.0, 3.81595873832703, 6.0, 0.0, 0.136073976755142, 0.0, 0.0, 0.0, 2.0, -0.0160252097994089, 0.0, 3.07484126091003, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H15Br6O4P%2Fc10-1-7%2813%294-17-20%2816%2C18-5-8%2814%292-11%2919-6-9%2815%293-12%2Fh7-9H%2C1-6H2, 0.0, 2.914057970047 2.914057970047, 1.60339784622192, 0.415919959545135, 6.0, 3.0, 0.0, 2.76260256767273 2.76260256767273, 0.732962906360626, -0.225339785218239, 0.0, 0.0, 3.4160749912262 3.4160749912262, -0.120746485888958, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 86.0, 287.0, 4.32536792755127 4.32536792755127, 0.0, 0.0, 0.0, 0.0, 2.17406964302063 2.17406964302063, 0.0, 1.5, 0.0, 20.0, 0.0, 0.0, 2.11522603034973 2.11522603034973, 0.0, 10.6875, 0.0, 0.0, 1.0, 0.0, 9.5625, 0.0, 0.0, 0.0, 0.0, 0.0, 20.0626068115234, 0.0, 11.9793787002563, 0.0, , 0.5, 1.88350570201874, 0.0, 9.83447360992432, 0.0, 0.0, 0.0, 0.0186432246118784, 0.0, 0.0, 8.80783653259277, 0.0, 0.0, 0.0, 2.1695032119751, 0.0, 0.0, 0.0, 1.75757551193237, 0.0, 0.0, 0.0, 0.0, 1.14420306682587, 0.0, 54.5699996948242, 0.0, 0.567844867706299, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 288.296844482422, 0.0, 0.0, 63.6533355712891, 1.5, 0.0, 910.0, 0.0, 1392.84375, 0.0, 0.0, 85.2536849975586, 0.0, 1414.1875, 0.0, 0.0, 203.039840698242, 0.0, 0.0, 0.0, 0.0, 0.0, 1564.35595703125, 100.779823303223, 5.32192802429199, 24.0, 1445.25231933594, 0.0, 776.109985351562, 0.0, 1380.51721191406, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 15.5960121154785, 6.0, 0.0, 0.5, 9.36352062225342, 0.0, 0.0, 0.0, 1.79280209541321, 0.0, 7.96694564819336, 3.0, 0.176776692271233, 3.18856120109558, 0.0, 5.81284093856812, 0.0, 5.5027928352356, 0.0, 0.0, 2.77195644378662, 0.0, 0.0, 0.775110244750977, 0.0, 0.0, 0.0, 1.0, -0.584031879901886, 0.0, 2.52378296852112, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H8%2Fc1-2-8-6-4-3-5-7-8%2Fh2-7H%2C1H2, 0.0, 0.492799282073975 0.492799282073975, 0.348461717367172, -0.000279504369245842, 0.0, 0.0, 0.0, 0.594861328601837 0.594861328601837, 0.144337564706802, -4.66834135295358e-05, 0.0, 0.0, 0.492799282073975 0.492799282073975, -2.49632171289704e-06, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 34.0, 60.0, 0.179152488708496 0.179152488708496, 0.0, 0.0, 0.0, 0.0, 0.174792468547821 0.174792468547821, 0.0, 0.0, 0.0, 6.125, 0.0, 0.0, 0.119434997439384 0.119434997439384, 0.0, 3.11111116409302, 0.0, 0.0, 0.0, 0.0, 1.79999995231628, 0.102062076330185, 0.0, 0.0, 0.0, 0.0721687823534012, 4.67120838165283, 0.0320750139653683, 2.60760712623596, 0.0185185186564922, , 0.0, 0.0962250456213951, 0.0, 1.6148077249527, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.03527474403381, 0.0, 0.0, 0.0, 0.589121699333191, 0.0, 0.0, 0.0, 0.335167527198792, 0.0, 0.0, 0.0, 1.0, 0.0823979601264, 0.0, 0.0, 0.0, 0.0261891391128302, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.0, 1.0, 0.0, 8.0, 0.0, 0.0, 64.0, 0.0, 387.989349365234, 0.0, 0.0, 9.0, 2.00414514541626, 404.009490966797, 0.0, 0.0, 7.0, 0.0, 0.0, 0.0, 0.0, 0.5, 453.287109375, 3.0, 4.0, 7.0, 327.250152587891, 0.0, 200.0, 0.0, 119.919326782227, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 5.0, 0.0, 5.81999111175537, 0.0, 0.0, 0.400000005960464, 3.9318516254425, 1.0, 0.0, 0.0, 0.20412415266037, 0.0, 2.91228413581848, 0.0, 0.0, 7.73231601715088, 0.0, 2.30209517478943, 0.0, 3.96540641784668, 0.0, 0.0, 1.59538793563843, 5.0, 0.0, 0.00121217640116811, 0.0, 0.0, 0.0, 0.0, -0.00027736253105104, 0.0, 1.10517168045044, 0.0, 0.0, 0.0
InChI%3D1S%2FC32H40BrN5O5.CH4O3S%2Fc1-16%282%2912-24-29%2840%2937-11-7-10-25%2837%2932%2842%2938%2824%2930%2841%2931%2843-32%2C17%283%294%2935-28%2839%2918-13-20-19-8-6-9-22-26%2819%2921%2827%2833%2934-22%2914-23%2820%2936%285%2915-18%3B1-5%282%2C3%294%2Fh6%2C8-9%2C13%2C16-18%2C23-25%2C34%2C42H%2C7%2C10-12%2C14-15H2%2C1-5H3%2C%28H%2C35%2C39%29%3B1H3%2C%28H%2C2%2C3%2C4%29%2Ft18-%2C23-%2C24%2B%2C25%2B%2C31-%2C32%2B%3B%2Fm1.%2Fs1, 0.0, 11.4404754638672 11.4404754638672, 11.1564846038818, 0.144042983651161, 6.0, 1.0, 0.0, 20.5324516296387 20.5324516296387, 8.49704551696777, 0.146450534462929, 0.0, 0.0, 33.6445198059082 33.6445198059082, -0.369736641645432, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 276.0, -1374182528.0, 5.40634536743164 5.40634536743164, 0.0, 8.46791299409233e-05, 1.0, 0.0, 8.13856983184814 8.13856983184814, 0.0, 0.000490827951580286, 0.0, 37.747241973877, 0.0, 0.0, 11.3592596054077 11.3592596054077, 0.522757947444916, 13.7649822235107, 0.255344122648239, 0.0, 0.0, 0.0, 6.72410154342651, 0.824619114398956, 0.142059713602066, 3.0, 0.0, 1.92423570156097, 29.9661636352539, 0.361983865499496, 18.1416873931885, 0.68848043680191, , 21.7924346923828, 3.12521290779114, 0.0, 15.8689107894897, 0.0, 6.97863531112671, 0.0, 0.114553101360798, 0.0, 0.0, 10.7652025222778, 2.0, 0.681207358837128, 0.0, 8.57190132141113, 6.0, 0.04542126506567, 0.0, 6.51575469970703, 0.0, 0.0, 0.0, 0.0, 4.65621948242188, 0.0, 181.550003051758, 0.0, 3.11130166053772, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 105.381538391113, 6.0, 0.0, 72.1446228027344, 0.0, 0.0, 215000006656.0, 0.00427392683923244, 4077.99731445312, 4.0, 0.0, 109.97566986084, 0.351554155349731, 5061.6728515625, 2.0, 0.0, 121.302955627441, 0.0, 0.0, 0.0, 0.0, 0.615493953227997, 8009.5234375, 128.101608276367, 6.58496236801147, 92.0, 8698.0771484375, 0.0, 6960.14990234375, 0.110249325633049, 8566.5615234375, 3.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, , 8.0, 0.0, 0.0, 0.0, 0.125, 1.0, 1.0, 1.01408660411835, 12.0, 0.0, 35.0846939086914, 1.0, 0.0, 0.999000012874603, 22.3685703277588, 1.0, 0.0, 0.0, 6.4553074836731, 1.0, 23.5013065338135, 6.0, 0.701184451580048, 7.6308388710022, 0.0, 18.2210941314697, 1.82215714454651, 28.9527835845947, 1.0, 0.0, 16.7177753448486, 3.0, 0.0, 1.18217420578003, 0.218842089176178, 3.72748470306396, 0.0, 4.0, -0.716404020786285, 3.0, 14.5919456481934, 0.0, 0.0, 0.0
InChI%3D1S%2FC21H16%2Fc1-13-6-7-15-12-20-17-5-3-2-4-14%2817%298-9-18%2820%2919-11-10-16%2813%2921%2815%2919%2Fh2-9%2C12H%2C10-11H2%2C1H3, 0.0, 4.01954030990601 4.01954030990601, 5.74008941650391, 0.0, 2.0, 0.0, 0.0, 7.39984464645386 7.39984464645386, 4.6350245475769, 0.0, 0.0, 0.0, 11.6416597366333 11.6416597366333, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 126.0, 364.0, 1.97703003883362 1.97703003883362, 0.0, 0.0, 0.0, 0.0, 3.1658251285553 3.1658251285553, 0.0, 0.0, 0.0, 13.4399995803833, 0.0, 0.0, 4.2437629699707 4.2437629699707, 0.0, 5.0, 0.0962250456213951, 0.0, 0.0, 0.0, 1.92627823352814, 0.406472027301788, 0.0625, 0.0, 0.0, 0.912756025791168, 12.1103658676147, 0.181236639618874, 7.68317461013794, 0.351989060640335, , 14.6705207824707, 0.76678729057312, 0.0, 6.19606637954712, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.10177755355835, 6.0, 0.20729698240757, 0.0, 4.08301877975464, 1.0, 0.0, 0.0, 3.06801581382751, 0.0, 0.0, 0.0, 0.0, 2.0545871257782, 0.0, 0.0, 0.0, 1.42765092849731, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 21.0, 9.0, 0.0, 25.0, 0.0, 0.0, 804.0, 0.0, 1844.74450683594, 0.0, 0.0, 38.0, 2.06503129005432, 2306.74072265625, 0.0, 0.0, 41.0, 0.0, 0.0, 0.0, 0.0, 2.37477493286133, 3559.85278320312, 36.0, 5.39231729507446, 41.0, 3717.02465820312, 0.0, 1261.0, 0.0, 3124.2216796875, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.0, 0.0, 13.9743270874023, 0.0, 0.0, 0.5, 10.3264999389648, 0.0, 0.0, 0.0, 1.36056053638458, 0.0, 9.64627647399902, 0.0, 0.0, 14.7317943572998, 0.0, 9.15354824066162, 0.477210491895676, 31.6515140533447, 0.0, 0.0, 8.43563365936279, 9.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.48173332214355, 0.0, 0.0, 0.0
InChI%3D1S%2FC14H14N2.ClH%2Fc1-2-16-13-6-4-3-5-11%2813%2912-9-10%2815%297-8-14%2812%2916%3B%2Fh3-9H%2C2%2C15H2%2C1H3%3B1H, 0.0, 2.62204074859619 2.62204074859619, 3.37217712402344, -0.00872359797358513, 1.0, 0.0, 0.0, 4.89045429229736 4.89045429229736, 2.42337965965271, 0.00146107107866555, 0.0, 0.0, 7.40815782546997 7.40815782546997, -0.0230196751654148, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 88.0, 1640261632.0, 1.10366296768188 1.10366296768188, 0.0, 0.0, 0.0, 0.0, 1.78581929206848 1.78581929206848, 0.0, 0.0, 0.0, 13.4320983886719, 0.0, 0.0, 2.25187015533447 2.25187015533447, 0.0, 5.32544374465942, 0.0641500279307365, 0.0, 0.0, 0.0, 2.17174506187439, 0.378179311752319, 0.0279508493840694, 0.0, 0.0, 0.731359124183655, 10.4978675842285, 0.136147990822792, 5.57460737228394, 0.220315843820572, , 5.29611921310425, 0.448718994855881, 1.0, 4.03799438476562, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.11265015602112, 4.0, 0.103744678199291, 0.0, 2.41198134422302, 1.0, 0.0, 0.0, 1.72691679000854, 0.0, 0.0, 0.0, 0.0, 0.989876449108124, 0.0, 30.9500007629395, 0.0, 0.592015862464905, 0.0, 0.0, 0.0, 0.0, 0.0, 0.200000002980232, 25.4327297210693, 2.0, 0.0, 18.6647415161133, 0.0, 0.0, 16000000000.0, 0.0, 1200.56896972656, 0.0, 0.0, 27.1632976531982, 2.02218580245972, 1444.09790039062, 0.0, 0.0, 27.9971122741699, 0.0, 0.0, 0.0, 0.0, 1.29320466518402, 2139.73315429688, 23.6647415161133, 5.08746290206909, 27.0, 2088.39868164062, 0.0, 817.030029296875, 0.0, 1584.32751464844, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 10.0, 0.0, 11.1209554672241, 0.0, 0.0, 0.999000012874603, 7.80886173248291, 0.0, 0.0, 0.0, 0.969088971614838, 0.0, 6.93020248413086, 0.0, 0.0, 8.96037006378174, 0.0, 6.21336984634399, 0.277777791023254, 16.0852966308594, 1.0, 0.0, 5.64660453796387, 7.0, 1.0, 0.116144903004169, 0.0, 0.0, 0.0, 0.0, -0.0535043142735958, 0.0, 4.87830018997192, 0.0, 0.0, 0.0
InChI%3D1S%2FC10H10O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh2%2C4-6H%2C1%2C3%2C7H2, 0.0, 1.32770919799805 1.32770919799805, 1.60457706451416, 0.0878866985440254, 2.0, 2.0, 0.0, 2.12406396865845 2.12406396865845, 1.09054040908813, 0.000784293108154088, 0.0, 0.0, 2.34669089317322 2.34669089317322, -0.00987768638879061, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 60.0, 140.0, 0.457979053258896 0.457979053258896, 0.0, 0.0, 0.0, 0.0, 0.592117011547089 0.592117011547089, 0.0, 0.0, 0.0, 8.59171581268311, 0.0, 0.0, 0.54393869638443 0.54393869638443, 0.0, 3.80622839927673, 0.117851130664349, 0.0, 0.0, 0.0, 1.85950410366058, 0.234708055853844, 0.0294627826660872, 0.0, 0.0, 0.310301214456558, 6.74721813201904, 0.0580769516527653, 3.8936824798584, 0.0647992268204689, , 1.65096366405487, 0.235702261328697, 0.0, 2.68041300773621, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.81702029705048, 0.0, 0.0138888889923692, 0.0, 1.23458707332611, 0.0, 0.0, 0.0, 0.725934505462646, 0.0, 0.0, 0.0, 1.0, 0.385899424552917, 0.0, 18.4599990844727, 0.0, 0.20709490776062, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 13.5489377975464, 1.0, 0.0, 14.3283681869507, 0.5, 0.0, 197.0, 0.0, 621.01220703125, 0.0, 0.0, 19.1028366088867, 1.86186528205872, 700.18017578125, 0.0, 0.0, 15.3283681869507, 0.0, 0.0, 0.0, 0.0, 0.669432938098907, 916.058227539062, 10.9962759017944, 4.58496236801147, 14.0, 743.60791015625, 0.0, 397.019989013672, 0.0, 491.456451416016, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 6.0, 0.0, 8.38890552520752, 0.0, 0.0, 0.428571432828903, 5.89817810058594, 1.0, 0.0, 0.0, 0.537457466125488, 0.0, 4.91881608963013, 0.0, 0.0, 5.57554531097412, 0.0, 4.09520864486694, 0.0833333358168602, 8.83114051818848, 0.0, 0.0, 3.47019290924072, 3.0, 0.0, 0.345550060272217, 0.0, 0.0, 0.0, 0.0, -0.256507307291031, 0.0, 2.41545534133911, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H10ClNO%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C14H2, 0.0, 1.62954914569855 1.62954914569855, 1.65425360202789, -0.0193824786692858, 0.0, 1.0, 1.0, 1.96420383453369 1.96420383453369, 1.06531405448914, -0.012159657664597, 0.0, 0.0, 2.76322031021118 2.76322031021118, -0.0921676307916641, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 74.0, 240.0, 0.554505228996277 0.554505228996277, 0.0, 0.0, 0.0, 0.0, 0.540796756744385 0.540796756744385, 0.0, 0.0, 0.0, 11.484375, 0.0, 0.0, 0.602014720439911 0.602014720439911, 0.0, 5.36507940292358, 0.0, 0.0, 0.0, 0.0, 3.5, 0.16666667163372, 0.0, 0.0, 0.0, 0.284517794847488, 8.73829460144043, 0.0555555559694767, 4.9066047668457, 0.0702150091528893, , 1.53261888027191, 0.421290040016174, 1.0, 3.56145358085632, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.18141603469849, 0.0, 0.0, 0.0, 1.30057799816132, 0.0, 0.0, 0.0, 0.918176889419556, 0.0, 0.0, 0.0, 0.0, 0.361859768629074, 0.0, 35.25, 0.0, 0.180626302957535, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.8472099304199, 0.0, 0.0, 18.7821063995361, 0.0, 0.0, 404.0, 0.0, 867.363525390625, 0.0, 0.0, 26.5642127990723, 0.0, 963.750732421875, 0.0, 0.0, 23.5642127990723, 0.0, 0.0, 0.0, 0.0, 0.0, 1225.615234375, 14.7821063995361, 4.90689039230347, 18.0, 1046.67150878906, 0.0, 466.029998779297, 0.0, 718.500915527344, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0, 0.0, 10.6733617782593, 0.0, 0.0, 0.5, 7.23718357086182, 0.0, 0.0, 0.0, 0.985598564147949, 0.0, 6.48749780654907, 0.0, 0.0, 8.69190216064453, 0.0, 4.93752384185791, 0.0, 12.3619976043701, 0.0, 0.0, 3.60103964805603, 8.0, 0.0, 0.226807937026024, 0.0, 0.0, 0.0, 0.0, -0.0856026187539101, 0.0, 3.21497464179993, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H18N2O2%2Fc1-2-3-6-10%289-12%297-4-5-8-11%2Fh11H%2C2-8H2%2C1H3, , 0.492799282073975 0.492799282073975, 0.696923434734344, 0.0279550813138485, 7.0, 0.0, 0.0, 0.594861328601837 0.594861328601837, 0.297430664300919, -0.0127619644626975, , 0.0, 0.522692561149597 0.522692561149597, -0.047811146825552, , 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 44.0, 146.0, 0.182246178388596 0.182246178388596, 0.0, 0.142857149243355, 0.0, 0.0, 0.207735031843185 0.207735031843185, 0.0, 0.0, 0.0, 12.0, 0.0, 0.0, 0.196890845894814 0.196890845894814, 0.0, 9.09090900421143, 0.0, 0.0, 0.0, 0.0, 7.43801641464233, 0.0, 0.0, 1.0, 0.0, 0.0, 7.69963645935059, 0.0, 4.53836441040039, 0.0, , 0.0, 0.100000001490116, 0.0, 2.81957983970642, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.70959281921387, 0.0, 0.0, , 0.940201878547668, 1.0, 0.0, 0.0, 0.577419936656952, 0.0, 0.0, , 0.0, 0.29785630106926, 0.0, 52.9000015258789, 0.0, 0.129558876156807, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.2689142227173, 0.0, 0.0, 12.5779161453247, 0.0, , 246.0, 0.0, 479.172729492188, 0.0, 0.0, 12.5502986907959, 1.8757506608963, 474.752380371094, 0.0, 0.0, 12.6610174179077, 0.0, 0.0, 0.0, , 0.0, 480.580535888672, 11.6610174179077, 4.58496236801147, 11.0, 450.038970947266, 0.0, 709.039978027344, 0.0, 384.436340332031, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 4.0, 0.0, 9.23420429229736, , , 0.444444447755814, 5.84606504440308, 0.0, 0.0, 0.0, 0.20412415266037, 1.0, 3.91228413581848, 0.0, 0.0, 7.87963724136353, 0.0, 2.759202003479, 0.0, 0.0, 0.0, 0.0, 1.72839784622192, 0.0, 0.0, 0.142045959830284, 0.0, 0.0, 0.0, 1.0, -0.0646494701504707, 1.0, 1.12993609905243, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H10O.Na%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%3B%2Fh1-9%2C13H%3B%2Fq%3B%2B1%2Fp-1, 0.0, 1.44017744064331 1.44017744064331, 1.37313032150269, -0.0255547631531954, 0.0, 0.0, 0.0, 2.34362530708313 2.34362530708313, 0.885919213294983, -0.00313632539473474, 0.0, 0.0, 3.05891346931458 3.05891346931458, -0.000151859465404414, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 64.0, -2064771072.0, 0.352670907974243 0.352670907974243, 0.0, 0.0, 0.0, 0.0, 0.455341815948486 0.455341815948486, 0.0, 0.0, 0.0, 12.0714282989502, 0.0, 0.0, 0.463782012462616 0.463782012462616, 0.0, 5.77777767181396, 0.0, 0.0, 0.0, 0.0, 2.99432897567749, 0.185395404696465, 0.0, 0.0, 0.0, 0.190371423959732, 6.6961522102356, 0.0598527938127518, 3.98803377151489, 0.0299263969063759, , 2.38110160827637, 0.155502110719681, 0.0, 2.64227151870728, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.79385662078857, 0.0, 0.0240562614053488, 0.0, 1.19061005115509, 0.0, 0.0, 0.0, 0.777510583400726, 0.0, 0.0, 0.0, 0.0, 0.299263954162598, 0.0, 23.0599994659424, 0.0, 0.170299112796783, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.43825340271, 2.0, 0.0, 14.3320922851562, 0.0, 0.0, 13000000512.0, 0.0, 746.805786132812, 0.0, 0.0, 18.6641845703125, 0.0, 845.870971679688, 0.0, 0.0, 17.9962768554688, 0.0, 0.0, 0.0, 0.0, 0.0, 1091.72302246094, 13.9962759017944, 4.80735492706299, 17.0, 992.257080078125, 0.0, 347.019989013672, 0.0, 689.863037109375, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 9.09601211547852, 0.0, 0.0, 0.999000012874603, 6.37700986862183, 0.0, 0.0, 0.0, 0.538451671600342, 0.0, 5.32368564605713, 0.0, 0.0, 12.4071960449219, 0.0, 4.43315410614014, 0.164266422390938, 11.3998241424561, 0.0, 0.0, 3.60758376121521, 9.0, 0.0, 0.155057936906815, 0.0, 0.0, 0.0, 0.0, -0.0486859641969204, 0.0, 2.79330086708069, 0.0, 0.0, 0.0
InChI%3D1S%2FC2Cl2%2Fc3-1-2-4, 0.0, 0.0 0.0, 0.0, -0.00867658294737339, 0.0, 0.0, 2.0, 0.0 0.0, 0.0, 0.0043382914736867, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 10.0, 14.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 2.0, 0.0, 3.26778674125671, 0.0, 1.38389337062836, 0.0, , 0.0, 0.0, 0.0, 0.566946685314178, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.321428567171097, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.4255065917969, 0.0, 0.0, 6.90347480773926, 0.0, 0.0, 10.0, 0.0, 120.742179870605, 0.0, 0.0, 5.90347480773926, 0.0, 95.7451095581055, 0.0, 0.0, 8.71275329589844, 0.0, 0.0, 0.0, 0.0, 0.0, 58.8698501586914, 0.0, 3.0, 1.0, 23.4958324432373, 0.0, 3.01999998092651, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.41421365737915, 0.0, 0.0, 0.333333343267441, 1.91421353816986, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0173531658947468, 0.0, 0.0, 0.0, 0.0, -0.0043382914736867, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC5H7N3OS%2Fc1-4-2-10-5%287-4%298-6-3-9%2Fh2-3H%2C1H3%2C%28H%2C6%2C9%29%28H%2C7%2C8%29, 0.0, 0.777317047119141 0.777317047119141, 0.587764322757721, 0.023172764107585, 0.0, 0.0, 0.0, 1.12671315670013 1.12671315670013, 0.343443363904953, 0.104608587920666, 0.0, 0.0, 0.93434089422226 0.93434089422226, -0.140871405601501, 0.0, 0.0, 0.75, 0.0, 0.0, 1.0, 44.0, 106.0, 0.431423097848892 0.431423097848892, 0.0, 0.0, 0.0, 0.0, 0.557825744152069 0.557825744152069, 0.0, 0.0, 0.0, 8.10000038146973, 0.0, 0.0, 0.331951528787613 0.331951528787613, 0.0, 4.0, 0.117851130664349, 0.0, 0.0, 0.0, 2.65088748931885, 0.201184466481209, 0.079056940972805, 1.0, 0.0, 0.142258897423744, 6.22108602523804, 0.118585415184498, 3.5453724861145, 0.0572061389684677, , 0.5, 0.266030073165894, 0.0, 2.50851535797119, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.70173537731171, 0.0, 0.0, 0.0, 1.12640583515167, 1.0, 0.0, 0.0, 0.512863993644714, 0.0, 0.0, 0.0, 0.0, 0.147340059280396, 0.0, 85.75, 0.0, 0.0636221468448639, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.9821853637695, 0.0, 0.0, 14.6963911056519, 0.0, 0.0, 132.0, 0.0, 566.236938476562, 0.0, 0.0, 19.4749088287354, 0.577350258827209, 612.13623046875, 0.0, 0.0, 13.02907371521, 0.0, 0.0, 0.0, 0.0, 1.15470051765442, 742.5517578125, 8.66661834716797, 4.32192802429199, 8.0, 439.373596191406, 0.0, 199.050003051758, 0.0, 287.307037353516, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 1.65096366405487, 0.0, 0.0, 0.0, 1.0, 0.0, 7.39734125137329, 0.0, 0.0, 0.428571432828903, 4.8256983757019, 1.0, 1.0, 0.0, 0.492799282073975, 1.0, 3.92647814750671, 0.0, 0.0, 0.200000002980232, 0.0, 2.76934242248535, 0.0, 1.70914804935455, 1.0, 0.0, 2.0799458026886, 1.0, 0.0, 0.235454559326172, 0.0, 0.0, 0.0, 0.0, -0.169594138860703, 0.0, 1.27880835533142, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H, , 1.44017744064331 1.44017744064331, 1.37313032150269, -0.0120746847242117, 0.0, , , 2.34362530708313 2.34362530708313, 0.885919213294983, -0.00144939380697906, , , 3.05891346931458 3.05891346931458, -6.77500938763842e-05, , 0.0, 0.75, , , , 64.0, 151.0, 0.491756230592728 0.491756230592728, , 0.0, , 0.0, 0.650328814983368 0.650328814983368, 0.0, 0.0, , 9.55102062225342, 0.0, , 0.685604989528656 0.685604989528656, 0.0, 4.48148155212402, 0.0, 0.0, , 0.0, 2.26843094825745, 0.185395404696465, 0.0, , 0.0, 0.190371423959732, 7.14336585998535, 0.0598527938127518, 4.21164083480835, 0.0423489958047867, , 2.38110160827637, 0.220051839947701, 0.0, 2.88317441940308, 0.0, 0.0, , 0.0, , 0.0, 1.9888436794281, 0.0, 0.0426901616156101, , 1.3354606628418, 0.0, 0.0, , 0.861140131950378, , , , 0.0, 0.345625728368759, , 20.2299995422363, 0.0, 0.18893301486969, , 0.0, 0.0, 0.0, , 0.0, 13.7744693756104, 2.0, , 14.3320922851562, 0.0, , 240.0, 0.0, 761.106994628906, 0.0, 0.0, 18.6641845703125, 0.0, 861.534057617188, 0.0, 0.0, 17.9962768554688, 0.0, , , , 0.0, 1113.91076660156, 13.9962759017944, 4.70043992996216, 17.0, 1015.08331298828, , 420.010009765625, 0.0, 706.953125, 3.0, , , 0.0, , 0.0, 0.0, , 0.0, , , 0.0, 0.0, , , 0.0, 0.0, , , 0.0, 0.0, , 0.0, 10.0, , 9.09601211547852, , , 0.428571432828903, 6.37700986862183, 0.0, , , 0.538451671600342, , 5.32368564605713, 0.0, 0.0, 12.4071960449219, , 4.43315410614014, 0.164266422390938, 11.3998241424561, , , 3.60758376121521, 9.0, , 0.0752628296613693, 0.0, 0.0, , , -0.0240395702421665, , 2.79330086708069, , , 0.0
InChI%3D1S%2FC7H5NO3S.Na%2Fc9-7-5-3-1-2-4-6%285%2912%2810%2C11%298-7%3B%2Fh1-4H%2C%28H%2C8%2C9%29%3B%2Fq%3B%2B1%2Fp-1, 0.0, 2.80213809013367 2.80213809013367, 1.36740863323212, 0.158109411597252, 0.0, 0.0, 0.0, 4.93283939361572 4.93283939361572, 0.844240128993988, -0.26345083117485, 0.0, 0.0, 6.51542568206787 6.51542568206787, 0.1000015437603, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 66.0, 230196192.0, 0.90332168340683 0.90332168340683, 0.0, 0.944940805435181, 1.0, 0.0, 1.15263330936432 1.15263330936432, 0.0, 0.0, 0.0, 11.0769233703613, 0.0, 0.0, 1.02485811710358 1.02485811710358, 0.0, 3.63000011444092, 0.0680413842201233, 0.0, 0.0, 0.0, 1.77514791488647, 0.383682519197464, 0.048472922295332, 0.0, 0.0, 0.684640526771545, 5.94022130966187, 0.1233274564147, 3.83028769493103, 0.140227720141411, , 2.38110160827637, 0.492526948451996, 0.0, 3.05806183815002, 0.0, 0.0, 0.0, 0.0323152802884579, 0.0, 0.0, 2.15004897117615, 0.0, 0.10268971323967, 0.0, 1.48133385181427, 0.0, 0.00932861771434546, 0.0, 0.846729159355164, 0.0, 0.0, 0.0, 0.0, 0.380066752433777, 0.0, 77.9400024414062, 0.0, 0.191283673048019, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 24.4749336242676, 1.0, 0.0, 22.3943252563477, 0.0, 0.0, 12000000000.0, 0.0, 835.467224121094, 1.0, 0.0, 28.7728691101074, 0.0, 993.227416992188, 0.0, 0.0, 26.8850765228271, 0.0, 0.0, 0.0, 0.0, 0.0, 1483.70349121094, 17.5436458587646, 4.70043992996216, 18.0, 1180.51403808594, 0.0, 133.059997558594, 0.0, 633.00341796875, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 8.76758480072021, 0.0, 0.0, 0.999000012874603, 5.61099052429199, 0.0, 0.0, 0.0, 1.54011297225952, 1.0, 5.72479391098022, 0.0, 0.20412415266037, 3.96540641784668, 0.0, 4.40215826034546, 0.428855359554291, 5.55315780639648, 0.0, 0.0, 3.94350004196167, 4.0, 0.0, 0.342272698879242, 0.0833333358168602, 0.0, 0.0, 2.0, -0.165229082107544, 0.0, 2.81080460548401, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H12N2O%2Fc1-11%2810-12%298-7-9-5-3-2-4-6-9%2Fh2-6H%2C7-8H2%2C1H3, , 0.925812005996704 0.925812005996704, 0.857710719108582, 0.0339740552008152, 2.0, 0.0, 0.0, 0.91561895608902 0.91561895608902, 0.504431009292603, -0.0256839655339718, , 0.0, 0.977640509605408 0.977640509605408, -0.00234928331337869, , 0.0, 1.0, 0.0, 0.0, 0.0, 52.0, 148.0, 0.377151131629944 0.377151131629944, 0.0, 0.0, 0.0, 0.0, 0.342168807983398 0.342168807983398, 0.0, 0.0, 0.0, 10.0833330154419, 0.0, 0.0, 0.321392446756363 0.321392446756363, 0.0, 5.61224508285522, 0.0, 0.0, 0.0, 0.0, 4.0, 0.102062076330185, 0.0, 0.0, 0.0, 0.0721687823534012, 7.10364055633545, 0.0320750139653683, 3.91025257110596, 0.0226804614067078, , 0.0, 0.259272485971451, 0.0, 2.69850420951843, 0.0, 0.0, , 0.0, , 0.0, 1.70629465579987, 0.0, 0.0, , 0.976404905319214, 1.0, 0.0, 0.0, 0.649025022983551, , , , 0.0, 0.275388777256012, 0.0, 32.6699981689453, 0.0, 0.132806643843651, , 0.0, 0.0, 0.0, , 0.0, 13.4944448471069, 1.0, , 13.2458248138428, 0.0, , 226.0, 0.0, 561.208374023438, 0.0, 0.0, 15.0520219802856, 1.55299711227417, 596.182495117188, 0.0, 0.0, 12.9965543746948, 0.0, 0.0, 0.0, , 0.25, 691.960754394531, 8.83064746856689, 4.58496236801147, 12.0, 571.095458984375, 0.0, 444.029998779297, 0.0, 378.933258056641, 1.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 1.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 6.0, 0.0, 8.81155490875244, , , 0.5, 5.8256983757019, 0.0, 0.0, 0.0, 0.492799282073975, 1.0, 4.59480619430542, 0.0, 0.0, 9.56307411193848, , 3.48938250541687, 0.0, 4.44554471969604, 0.0, 0.0, 2.20015907287598, 5.0, 0.0, 0.0618681348860264, 0.0, 0.0, 0.0, 1.0, -0.0366808958351612, 1.0, 1.70750749111176, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H24N2O%2Fc15-13-14-11-9-7-5-3-1-2-4-6-8-10-12-14%2Fh1-12H2, 0.0, 0.492799282073975 0.492799282073975, 1.38397324085236, 0.0289573762565851, 12.0, 0.0, 0.0, 0.594861328601837 0.594861328601837, 0.967147946357727, -0.0211942940950394, 0.0, 0.0, 0.492799282073975 0.492799282073975, -0.00434269849210978, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 62.0, 196.0, 0.182246178388596 0.182246178388596, 0.0, 0.0, 0.0, 0.0, 0.207735031843185 0.207735031843185, 0.0, 0.0, 0.0, 13.0666666030884, 0.0, 0.0, 0.182246178388596 0.182246178388596, 0.0, 9.2421875, 0.0, 0.0, 0.0, 0.0, 6.97577857971191, 0.0, 0.0, 0.0, 0.0, 0.0, 9.78795719146729, 0.0, 6.51502990722656, 0.0, , 0.0, 0.100000001490116, 0.0, 4.57084655761719, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.19792556762695, 0.0, 0.0, 0.0, 2.19630146026611, 0.0, 0.0, 0.0, 1.5070766210556, 0.0, 0.0, 0.0, 0.0, 1.03317749500275, 0.0, 32.6699981689453, 0.0, 0.70759528875351, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 16.4944458007812, 0.0, 0.0, 16.2458248138428, 0.0, 0.0, 397.0, 0.0, 807.391662597656, 0.0, 0.0, 17.2182064056396, 0.0, 828.443725585938, 0.0, 0.0, 18.3289241790771, 0.0, 0.0, 0.0, 0.0, 0.0, 878.677368164062, 18.3289241790771, 4.90689039230347, 17.0, 903.368896484375, 0.0, 1311.03002929688, 0.0, 901.614990234375, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 10.0, 0.0, 10.7697381973267, 0.0, 0.0, 0.25, 7.43185186386108, 0.0, 0.0, 0.0, 0.20412415266037, 1.0, 5.38715791702271, 0.0, 0.0, 22.045597076416, 0.0, 4.05209493637085, 0.0, 0.0, 0.0, 0.0, 2.83282470703125, 0.0, 0.0, 0.0583857148885727, 0.0, 0.0, 0.0, 1.0, -0.0322742648422718, 1.0, 1.98017168045044, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H11N.ClH%2Fc13-12-8-6-11%287-9-12%2910-4-2-1-3-5-10%3B%2Fh1-9H%2C13H2%3B1H, 0.0, 1.35105729103088 1.35105729103088, 1.50921308994293, -0.00447222637012601, 0.0, 0.0, 0.0, 1.84945595264435 1.84945595264435, 0.93403172492981, -0.000343370775226504, 0.0, 0.0, 2.38298654556274 2.38298654556274, -1.36024173116311e-05, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 64.0, -2064771072.0, 0.496011286973953 0.496011286973953, 0.0, 0.0, 0.0, 0.0, 0.580187559127808 0.580187559127808, 0.0, 0.0, 0.0, 12.0714282989502, 0.0, 0.0, 0.61141961812973 0.61141961812973, 0.0, 5.77777767181396, 0.0, 0.0, 0.0, 0.0, 3.27272725105286, 0.185395404696465, 0.0, 0.0, 0.0, 0.190371423959732, 8.49824714660645, 0.0598527938127518, 4.2707257270813, 0.0459639020264149, , 1.31037068367004, 0.262891709804535, 1.0, 2.98803377151489, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.01780605316162, 0.0, 0.0277777779847383, 0.0, 1.30617260932922, 0.0, 0.0, 0.0, 0.884900152683258, 0.0, 0.0, 0.0, 0.0, 0.386894524097443, 0.0, 26.0200004577637, 0.0, 0.202374130487442, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 22.0727424621582, 2.0, 0.0, 14.1661853790283, 0.0, 0.0, 13000000512.0, 0.0, 792.214538574219, 0.0, 0.0, 18.3323707580566, 0.0, 881.181762695312, 0.0, 0.0, 16.3323707580566, 0.0, 0.0, 0.0, 0.0, 0.0, 1130.16564941406, 11.1661853790283, 4.80735492706299, 16.0, 993.270812988281, 0.0, 494.019989013672, 0.0, 656.499389648438, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 9.09601211547852, 0.0, 0.0, 0.999000012874603, 6.36017322540283, 0.0, 0.0, 0.0, 0.622008442878723, 0.0, 5.41804218292236, 0.0, 0.0, 12.7816572189331, 0.0, 4.37700986862183, 0.0833333358168602, 11.7084808349609, 0.0, 0.0, 3.36283898353577, 9.0, 0.0, 0.0269772820174694, 0.0, 0.0, 0.0, 0.0, -0.0086592398583889, 0.0, 2.78210639953613, 0.0, 0.0, 0.0
InChI%3D1S%2FC14H16N2O2.2ClH%2Fc1-17-13-7-9%283-5-11%2813%2915%2910-4-6-12%2816%2914%288-10%2918-2%3B%3B%2Fh3-8H%2C15-16H2%2C1-2H3%3B2%2A1H, 0.0, 2.99437594413757 2.99437594413757, 2.57619261741638, -0.0849936380982399, 0.0, 2.0, 0.0, 4.12112474441528 4.12112474441528, 1.61506271362305, 0.12272884696722, 0.0, 0.0, 5.2467827796936 5.2467827796936, -0.0299397744238377, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 90.0, -654705728.0, 0.945359408855438 0.945359408855438, 0.0, 0.0, 0.0, 0.0, 1.10783922672272 1.10783922672272, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 1.17347240447998 1.17347240447998, 0.0, 9.1065092086792, 0.0, 0.0, 0.0, 0.0, 4.76470565795898, 0.136082768440247, 0.0, 0.0, 0.0, 0.310875236988068, 12.8847885131836, 0.0481125228106976, 5.52816295623779, 0.0714758932590485, , 5.26933193206787, 0.451184451580048, 2.0, 3.91345882415771, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.800288438797, 0.0, 0.0670614913105965, 0.0, 1.78141415119171, 2.0, 0.0, 0.0, 1.17809188365936, 0.0, 0.0, 0.0, 0.0, 0.634576857089996, 0.0, 70.5, 0.111111111938953, 0.333140581846237, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 37.6944198608398, 2.0, 0.0, 20.660737991333, 0.142857149243355, 0.0, 36999999488.0, 0.111111111938953, 1128.38635253906, 0.0, 0.0, 27.9931087493896, 2.41317749023438, 1281.28930664062, 0.0, 0.0, 31.100040435791, 0.0, 0.0, 0.0, 0.0, 2.7623987197876, 1750.05871582031, 23.9931087493896, 5.32192802429199, 28.0, 1759.42346191406, 0.0, 989.059997558594, 0.0, 1331.70654296875, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 13.1209554672241, 0.0, 0.0, 0.999000012874603, 8.65139675140381, 0.0, 0.0, 0.0, 1.13807117938995, 0.0, 7.43748807907104, 0.0, 0.0, 5.46963167190552, 0.0, 6.52149343490601, 0.319035589694977, 15.0080585479736, 0.0, 0.0, 4.89777135848999, 6.0, 0.0, 0.408889412879944, 0.0, 0.0, 0.0, 0.0, -0.201886162161827, 0.0, 3.8245849609375, 0.0, 0.0, 0.0
InChI%3D1S%2FC19H29N5O2%2Fc1-23-19%2821-18%2815-25%2922-23%2920-9-6-12-26-17-8-5-7-16%2813-17%2914-24-10-3-2-4-11-24%2Fh5%2C7-8%2C13%2C25H%2C2-4%2C6%2C9-12%2C14-15H2%2C1H3%2C%28H%2C20%2C21%2C22%29, 0.0, 2.60092878341675 2.60092878341675, 3.19776630401611, 0.0120518133044243, 10.0, 1.0, 0.0, 3.91007947921753 3.91007947921753, 2.0722393989563, -0.0717909634113312, 0.0, 0.0, 4.62159204483032 4.62159204483032, 0.0587634518742561, 0.0, 0.0, 0.888888895511627, 0.0, 0.0, 0.0, 128.0, 736.0, 1.05574464797974 1.05574464797974, 0.0, 0.0, 0.0, 0.0, 1.45271718502045 1.45271718502045, 0.0, 0.111111111938953, 0.0, 20.7270412445068, 0.0, 0.0, 1.51280200481415 1.51280200481415, 0.0909090936183929, 11.1111106872559, 0.0962250456213951, 0.0, 0.0, 0.0, 6.84297513961792, 0.417703211307526, 0.0322748608887196, 1.0, 0.0, 0.490369111299515, 15.6549215316772, 0.176365107297897, 9.60249137878418, 0.154757931828499, , 1.20342600345612, 0.607871890068054, 0.0, 6.95916938781738, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.73915815353394, 0.0, 0.025000000372529, 0.0, 3.36687994003296, 1.0, 0.0, 0.0, 2.27283525466919, 0.0, 0.0, 0.0, 0.0, 1.10146379470825, 0.0, 72.3600006103516, 0.0, 0.64728307723999, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 29.3488788604736, 1.0, 0.0, 31.0181159973145, 0.0, 0.0, 2141.0, 0.0, 1564.6083984375, 1.0, 0.0, 40.263988494873, 1.55316507816315, 1754.20861816406, 0.0, 0.0, 37.1250495910645, 0.0, 0.0, 0.0, 0.0, 0.854574024677277, 2248.57763671875, 31.1003189086914, 5.70043992996216, 33.0, 2008.92224121094, 0.0, 2831.07006835938, 0.0, 1681.29248046875, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 7.0, 0.0, 0.0, 0.0, 1.31037068367004, 0.0, 0.0, 1.4633172750473, 9.0, 0.0, 18.192024230957, 0.0, 0.0, 0.470588237047195, 12.7415151596069, 0.0, 2.0, 0.0, 1.21886551380157, 1.0, 10.7594470977783, 1.0, 0.0, 19.8612461090088, 0.0, 8.69339942932129, 0.117851130664349, 11.4403142929077, 0.0, 0.0, 6.99975633621216, 4.0, 0.0, 0.579786002635956, 0.0, 0.0, 0.0, 0.0, -0.313562661409378, 2.0, 5.34483909606934, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H13N%2Fc1-6-4-8%283%299%2810%295-7%286%292%2Fh4-5H%2C10H2%2C1-3H3, 0.0, 2.15380668640137 2.15380668640137, 0.601579308509827, -0.00417235027998686, 0.0, 0.0, 0.0, 2.17273211479187 2.17273211479187, 0.111111111938953, -0.0005054249195382, 0.0, 0.0, 3.37359476089478 3.37359476089478, -1.71348910953384e-05, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 48.0, 80.0, 1.01162731647491 1.01162731647491, 0.0, 0.0, 0.0, 0.0, 0.882540822029114 0.882540822029114, 0.0, 0.0, 0.0, 8.10000038146973, 0.0, 0.0, 1.17420744895935 1.17420744895935, 0.0, 2.93877553939819, 0.0, 0.0, 0.0, 0.0, 1.75, 0.0555555559694767, 0.0, 0.0, 0.0, 0.222222223877907, 6.73205089569092, 0.020833333954215, 3.44337558746338, 0.0745281279087067, , 3.30192732810974, 0.516346037387848, 1.0, 2.79305505752563, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.88237142562866, 0.0, 0.131445854902267, 0.0, 0.982852399349213, 3.0, 0.0, 0.0, 0.630813658237457, 0.0, 0.0, 0.0, 0.0, 0.205973982810974, 0.0, 26.0200004577637, 0.0, 0.0328614637255669, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.3599882125854, 3.0, 0.0, 10.1661853790283, 0.0, 0.0, 111.0, 0.766309440135956, 575.280090332031, 0.0, 0.0, 14.3323707580566, 2.44948983192444, 632.276123046875, 0.0, 0.0, 13.498556137085, 0.0, 0.0, 0.0, 0.0, 5.42161178588867, 832.702697753906, 6.33237028121948, 4.32192802429199, 13.0, 699.80517578125, 0.0, 439.010009765625, 0.0, 288.913543701172, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 7.72361469268799, 0.0, 0.0, 0.400000005960464, 4.60906076431274, 0.0, 0.0, 0.0, 0.942809045314789, 0.0, 4.380539894104, 0.0, 0.0, 0.333333343267441, 0.0, 3.42994904518127, 0.333333343267441, 5.65685415267944, 0.0, 0.0, 2.10210156440735, 2.0, 0.0, 0.0269169583916664, 0.0, 0.0, 0.0, 0.0, -0.0087634464725852, 0.0, 1.57683420181274, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H14N4O4%2Fc1-11%2810-15%297%2814%299-4-2-3-5%288%296%2812%2913%2Fh5H%2C2-4%2C8H2%2C1H3%2C%28H%2C9%2C14%29%28H%2C12%2C13%29%2Ft5-%2Fm0%2Fs1, 0.0, 2.41421365737915 2.41421365737915, 0.655150592327118, 0.0969710946083069, 3.0, 0.0, 0.0, 1.70710682868958 1.70710682868958, 0.444619983434677, -0.0804552808403969, 0.0, 0.0, 1.49162459373474 1.49162459373474, 0.0449165627360344, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 62.0, 218.0, 0.478459000587463 0.478459000587463, 0.0, 0.984629690647125, 0.0, 0.0, 0.300994545221329 0.300994545221329, 0.0, 0.0, 0.0, 15.0, 0.0, 0.0, 0.222132593393326 0.222132593393326, 0.0, 8.18685150146484, 0.0, 0.0, 0.0, 0.0, 6.97577857971191, 0.0, 0.0, 2.0, 0.0, 0.0, 8.32858562469482, 0.0, 4.2748236656189, 0.0, , 0.965489387512207, 0.315277129411697, 1.0, 2.87393641471863, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.65558159351349, 0.0, 0.0415165759623051, 0.0, 0.75258082151413, 1.0, 0.0, 0.0, 0.387283235788345, 0.0, 0.0, 0.0, 0.0, 0.18934066593647, 0.0, 128.580001831055, 0.0, 0.0995018929243088, 0.0, 0.31622776389122, 0.0, 0.0, 0.0, 0.142857149243355, 19.5378284454346, 0.0, 0.0, 16.7406558990479, 0.0, 0.0, 460.0, 0.0, 575.878845214844, 2.0, 0.0, 21.2899646759033, 0.608220219612122, 595.547302246094, 0.0, 0.0, 21.6776790618896, 0.0, 0.0, 0.0, 0.0, 0.622369885444641, 673.410461425781, 14.9889516830444, 4.90689039230347, 17.0, 619.081665039062, 0.0, 574.080017089844, 0.0, 465.187927246094, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 1.41421353816986, 3.0, 0.0, 11.8449354171753, 0.0, 0.0, 0.5, 6.98526954650879, 0.0, 0.0, 0.0, 1.04044008255005, 2.0, 5.86857414245605, 1.0, 0.0, 2.38110160827637, 0.0, 4.32235813140869, 0.402368932962418, 3.63971734046936, 0.0, 0.0, 1.95284569263458, 0.0, 0.0, 0.45179757475853, 0.0, 0.0, 0.0, 2.0, -0.260185122489929, 1.0, 1.09341299533844, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H7FN2O%2Fc1-10%289-11%297-4-2-6%288%293-5-7%2Fh2-5H%2C1H3, 0.0, 1.49750399589539 1.49750399589539, 0.959815144538879, 0.0254335515201092, 0.0, 0.0, 0.0, 1.6887115240097 1.6887115240097, 0.396574229001999, -0.0256006047129631, 0.0, 0.0, 1.85322630405426 1.85322630405426, -0.0369738638401031, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 50.0, 113.0, 0.422969400882721 0.422969400882721, 0.0, 0.0, 0.0, 0.0, 0.37721773982048 0.37721773982048, 0.0, 0.0, 0.0, 9.09090900421143, 0.0, 0.0, 0.314856290817261 0.314856290817261, 0.0, 4.13265323638916, 0.0, 0.0, 0.0, 0.0, 2.5, 0.0833333358168602, 0.0, 0.0, 0.0, 0.131445854902267, 5.99004125595093, 0.0277777779847383, 3.06374406814575, 0.0229216124862432, , 0.333333343267441, 0.237529680132866, 0.0, 2.08167314529419, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.32276964187622, 0.0, 0.0333333350718021, 0.0, 0.703969180583954, 1.0, 0.0, 0.0, 0.409326761960983, 0.0, 0.0, 0.0, 0.0, 0.162500277161598, 0.0, 32.6699981689453, 0.0, 0.048956498503685, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 13.9964895248413, 0.0, 0.0, 12.8276100158691, 0.0, 0.0, 160.0, 0.0, 452.202880859375, 0.0, 0.0, 16.3817768096924, 1.15470051765442, 495.525665283203, 0.0, 0.0, 15.4924955368042, 0.0, 0.0, 0.0, 0.0, 0.63245552778244, 615.223083496094, 9.74452495574951, 4.45943164825439, 13.0, 517.897277832031, 0.0, 214.039993286133, 0.0, 277.186370849609, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 6.0, 0.0, 8.26758480072021, 0.0, 0.0, 0.428571432828903, 5.23638200759888, 0.0, 0.0, 0.0, 0.6910440325737, 1.0, 4.40548419952393, 0.0, 0.0, 3.30192732810974, 0.0, 3.509202003479, 0.117851130664349, 5.65685415267944, 0.0, 0.0, 2.18823194503784, 4.0, 0.0, 0.145099326968193, 0.0, 0.0, 0.0, 1.0, -0.0579651221632957, 1.0, 1.62847018241882, 0.0, 1.0, 0.0
InChI%3D1S%2FC5H10N2O3%2Fc1-3-7%286-9%295%288%2910-4-2%2Fh3-4H2%2C1-2H3, , 1.11785113811493 1.11785113811493, 0.235702261328697, 0.214348167181015, 2.0, 1.0, 0.0, 1.55473780632019 1.55473780632019, 0.0, -0.165701419115067, , 0.0, 1.04044008255005 1.04044008255005, 0.0661273673176765, , 0.0, 1.0, 0.0, 0.0, 0.0, 38.0, 81.0, 0.226684510707855 0.226684510707855, 0.0, 0.25, 0.0, 0.0, 0.220512956380844 0.220512956380844, 0.0, 0.70710676908493, 0.0, 10.0, 0.0, 0.0, 0.12795202434063 0.12795202434063, 0.0, 5.76000022888184, 0.0, 0.0, 0.0, 0.0, 3.70247936248779, 0.0, 0.0, 0.0, 0.0, 0.0, 6.03338575363159, 0.0, 3.03354573249817, 0.0, , 0.0, 0.107978478074074, 0.0, 1.49633288383484, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.876657068729401, 0.0, 0.0117851132526994, , 0.418154150247574, 2.0, 0.0, 0.0, 0.131939724087715, 0.0, , , 0.0, 0.0574286580085754, 0.0, 58.9700012207031, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 13.0433835983276, 0.0, 0.0, 11.2421007156372, 0.0, , 130.0, 0.16666667163372, 304.970703125, 1.0, 0.0, 13.2655143737793, 1.78885436058044, 304.520385742188, 0.0, 0.0, 14.0997619628906, 0.0, 0.0, 0.0, , 0.666666686534882, 329.330139160156, 12.2096767425537, 4.32192802429199, 11.0, 312.490753173828, 0.0, 271.049987792969, 0.0, 220.754776000977, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 7.98312759399414, , , 0.5, 4.75674867630005, 0.0, 0.0, 0.0, 0.402368932962418, 1.0, 3.34253525733948, 0.0, 0.0, 0.25, 0.0, 2.59750962257385, 0.117851130664349, 1.0, 0.0, 0.0, 1.78445708751678, 0.0, 0.0, 0.334340661764145, 0.0, 0.0, 0.0, 2.0, -0.266960173845291, 1.0, 0.471404522657394, 0.0, 0.0, 0.0
InChI%3D1S%2FC2H5N3O2%2Fc1-5%284-7%292%283%296%2Fh1H3%2C%28H2%2C3%2C6%29, 0.0, 1.27614235877991 1.27614235877991, 0.0, 0.099287636578083, 0.0, 0.0, 0.0, 0.70710676908493 0.70710676908493, 0.0, -0.0974544435739517, 0.0, 0.0, 0.235702261328697 0.235702261328697, 0.0330864191055298, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 26.0, 36.0, 0.207906872034073 0.207906872034073, 0.0, 0.25, 0.0, 0.0, 0.0477985441684723 0.0477985441684723, 0.0, 0.0, 0.0, 7.0, 0.0, 0.0, 0.00912870932370424 0.00912870932370424, 0.0, 3.06122446060181, 0.0, 0.0, 0.0, 0.0, 2.66666674613953, 0.0, 0.0, 1.0, 0.0, 0.0, 3.74988913536072, 0.0, 1.52700138092041, 0.0, , 0.0, 0.150000005960464, 0.0, 0.928863227367401, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.428999245166779, 0.0, 0.0223606806248426, 0.0, 0.0386698320508003, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 76.75, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.5, 9.62890243530273, 0.0, 0.0, 7.74410200119019, 0.0, 0.0, 46.0, 0.0, 173.517120361328, 1.0, 0.0, 9.35275650024414, 0.0, 168.463088989258, 0.0, 0.0, 8.07591533660889, 0.0, 0.0, 0.0, 0.0, 0.5, 178.251937866211, 3.32793498039246, 3.80735492706299, 6.0, 120.336395263672, 0.0, 79.0500030517578, 0.0, 26.9302577972412, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 5.86180734634399, 0.0, 0.0, 0.5, 3.18073916435242, 0.0, 0.0, 0.0, 0.569035589694977, 1.0, 2.62954902648926, 0.0, 0.0, 0.0, 0.0, 1.78202176094055, 0.235702261328697, 0.0, 0.0, 0.0, 0.471404522657394, 0.0, 0.0, 0.161995515227318, 0.0, 0.0, 0.0, 1.0, -0.115917377173901, 1.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC15H15N3O2%2Fc1-10-3-8-15%2820%2914%289-10%2918-17-13-6-4-12%285-7-13%2916-11%282%2919%2Fh3-9%2C20H%2C1-2H3%2C%28H%2C16%2C19%29%2Fb18-17%2B, 0.0, 2.44462609291077 2.44462609291077, 2.28259062767029, -0.0996695756912231, 0.0, 0.0, 0.0, 3.30553245544434 3.30553245544434, 1.55467653274536, -0.00962900463491678, 0.0, 0.0, 4.32414865493774 4.32414865493774, 0.0124601628631353, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 98.0, 391.0, 0.702972888946533 0.702972888946533, 0.0, 0.0909090936183929, 0.0, 0.0, 0.773073613643646 0.773073613643646, 0.0, 0.0, 0.0, 16.3718814849854, 0.0, 0.0, 0.804751873016357 0.804751873016357, 0.0, 7.85204076766968, 0.0, 0.0, 0.0, 0.0, 5.37890625, 0.151374712586403, 0.0, 2.0, 0.0, 0.302046418190002, 11.2775201797485, 0.0518340393900871, 6.10104179382324, 0.0704180374741554, , 3.53414916992188, 0.544837296009064, 0.0, 4.36758327484131, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.54473328590393, 0.0, 0.0166666675359011, 0.0, 1.60583508014679, 2.0, 0.0, 0.0, 1.03983378410339, 0.0, 0.0, 0.0, 0.0, 0.433617681264877, 0.0, 77.5400009155273, 0.0, 0.215633735060692, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 22.6289024353027, 1.0, 0.0, 22.6889133453369, 0.0, 0.0, 951.0, 0.0833333358168602, 1096.7685546875, 1.0, 0.0, 31.04541015625, 2.57361125946045, 1224.69714355469, 0.0, 0.0, 29.2115936279297, 0.0, 0.0, 0.0, 0.0, 2.53430151939392, 1583.99633789062, 23.8792247772217, 5.32192802429199, 26.0, 1457.84326171875, 0.0, 916.049987792969, 0.0, 1134.73034667969, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.965489387512207, 0.0, 0.0, 0.0, 11.0, 0.0, 14.5351696014404, 0.0, 0.0, 0.5, 9.54171371459961, 0.0, 0.0, 0.0, 1.50754058361053, 3.0, 8.74923896789551, 0.0, 0.0, 5.61419296264648, 0.0, 6.34143400192261, 0.117851130664349, 12.8350505828857, 0.0, 0.0, 4.92477178573608, 7.0, 0.0, 0.336488723754883, 0.0, 0.0, 0.0, 0.0, -0.094483345746994, 0.0, 4.02929449081421, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H10O3%2Fc5-1-3-7-4-2-6%2Fh5-6H%2C1-4H2, 0.0, 0.0 0.0, 0.176776692271233, -0.195368334650993, 4.0, 1.0, 0.0, 0.0 0.0, 0.0, 0.228310003876686, 0.0, 0.0, 0.0 0.0, -0.0316665060818195, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 22.0, 54.0, 0.0 0.0, 0.0, 0.16666667163372, 0.0, 0.0, 0.0 0.0, 0.0, 0.666666686534882, 0.0, 7.0, 0.0, 0.0, 0.0 0.0, 0.0, 6.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 2.0, 0.0, 0.0, 4.13110256195068, 0.0, 2.209805727005, 0.0, , 0.0, 0.0, 0.0, 1.05958604812622, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.471249312162399, 0.0, 0.0, 0.0, 0.231161519885063, 0.0, 0.0, 0.0, 0.0912870913743973, 0.0, 0.0, 0.0, 0.0, 0.020412415266037, 0.0, 49.689998626709, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.32340717315674, 0.0, 0.0, 7.32836771011353, 0.0, 0.0, 56.0, 0.0, 170.66926574707, 0.0, 0.0, 6.32836771011353, 0.0, 154.852432250977, 0.0, 0.0, 5.54893827438354, 0.0, 0.0, 0.0, 0.0, 0.0, 127.578620910645, 3.66418385505676, 3.80735492706299, 4.0, 96.8373794555664, 0.0, 214.029998779297, 0.0, 66.9539566040039, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.5355339050293, 0.0, 0.0, 0.5, 3.41421365737915, 0.0, 0.0, 0.0, 0.0, 0.0, 2.06066012382507, 0.0, 0.0, 2.94168281555176, 0.0, 1.20710682868958, 0.0, 0.0, 0.0, 0.0, 0.676776707172394, 0.0, 0.0, 0.371823161840439, 0.0, 0.0, 0.0, 0.0, -0.141223073005676, 0.0, 0.353553384542465, 0.0, 0.0, 0.0
InChI%3D1S%2FC11H11N5.ClH%2Fc12-10-7-6-9%2811%2813%2914-10%2916-15-8-4-2-1-3-5-8%3B%2Fh1-7H%2C%28H4%2C12%2C13%2C14%29%3B1H%2Fb16-15%2B%3B, 0.0, 1.79343962669373 1.79343962669373, 1.78118598461151, -0.0752060934901237, 2.0, 0.0, 0.0, 2.44252419471741 2.44252419471741, 0.973315417766571, -0.0189881194382906, 0.0, 0.0, 2.95225691795349 2.95225691795349, 0.0362180881202221, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 78.0, -359738400.0, 0.627356469631195 0.627356469631195, 0.0, 0.0, 0.0, 0.0, 0.695948123931885 0.695948123931885, 0.0, 0.0, 0.0, 15.0588235855103, 0.0, 0.0, 0.71141517162323 0.71141517162323, 0.0, 7.43801641464233, 0.0, 0.0, 0.0, 0.0, 4.63905334472656, 0.170103460550308, 0.0, 0.0, 0.0, 0.256364077329636, 10.1521873474121, 0.0737416818737984, 5.30963277816772, 0.0778678804636002, , 2.18224716186523, 0.36455824971199, 1.0, 3.80571627616882, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.52325201034546, 0.0, 0.0304290316998959, 0.0, 1.60636961460114, 0.0, 0.0, 0.0, 1.03550899028778, 0.0, 0.0, 0.0, 0.0, 0.420228838920593, 0.0, 86.620002746582, 0.25, 0.175596728920937, 0.0, 1.78549027442932, 0.0, 0.0, 0.0, 0.0, 26.5126934051514, 0.0, 0.0, 18.3570995330811, 0.0, 0.0, 16000000000.0, 0.0, 906.690979003906, 1.0, 0.0, 24.3818283081055, 0.0, 1001.50677490234, 0.0, 0.0, 22.7141990661621, 0.0, 0.0, 0.0, 0.0, 0.0, 1271.64916992188, 16.2432613372803, 5.08746290206909, 20.0, 1126.97546386719, 0.0, 817.059997558594, 0.0, 779.963806152344, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 1.31037068367004, 0.0, 0.0, 0.0, 9.0, 0.0, 11.3804693222046, 0.0, 0.0, 0.999000012874603, 7.75402021408081, 0.0, 1.0, 0.0, 0.89516818523407, 2.0, 6.73697376251221, 2.0, 0.0, 6.93297576904297, 0.0, 5.2795991897583, 0.117851130664349, 7.89757919311523, 0.0, 0.0, 4.08253812789917, 5.0, 0.0, 0.224849924445152, 0.0, 0.0, 0.0, 0.0, -0.0559251755475998, 0.0, 3.06923675537109, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H6N2S%2Fc1-6-3-2-5-4%286%297%2Fh2-3H%2C1H3%2C%28H%2C5%2C7%29, 0.0, 1.13807117938995 1.13807117938995, 0.117851130664349, 0.0878226011991501, 0.0, 0.0, 0.0, 1.04044008255005 1.04044008255005, 0.0, -0.0210218951106071, 0.0, 0.0, 0.471404522657394 0.471404522657394, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 32.0, 36.0, 0.594559133052826 0.594559133052826, 0.0, 0.0, 0.0, 0.0, 0.411623746156693 0.411623746156693, 0.0, 0.0, 0.0, 5.14285707473755, 0.0, 0.0, 0.178885444998741 0.178885444998741, 0.0, 1.85185182094574, 0.117851130664349, 0.0, 0.0, 0.0, 0.959999978542328, 0.235702261328697, 0.0333333350718021, 0.0, 0.0, 0.117851130664349, 4.89076852798462, 0.0780546963214874, 2.41497874259949, 0.0447213612496853, , 0.0, 0.263263523578644, 0.0, 1.73814702033997, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.22668921947479, 0.0, 0.0774596706032753, 0.0, 0.491068363189697, 1.0, 0.0, 0.0, 0.156109392642975, 0.0, 0.0, 0.0, 0.0, 0.0447213612496853, 0.0, 56.6199989318848, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 13.847728729248, 0.0, 0.0, 9.50071144104004, 0.0, 0.0, 40.0, 0.0, 345.608642578125, 0.0, 0.0, 13.9192867279053, 0.816496610641479, 367.143646240234, 0.0, 0.0, 10.1755409240723, 0.0, 0.0, 0.0, 0.0, 0.5, 446.153167724609, 0.0, 3.80735492706299, 5.0, 202.222763061523, 1.0, 127.029998779297, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.5, 0.0, 0.0, 5.27602100372314, 0.0, 0.0, 0.333333343267441, 3.30453038215637, 0.0, 0.0, 0.0, 0.471404522657394, 0.0, 2.88547134399414, 0.0, 0.0, 1.0, 0.0, 2.29033637046814, 0.16666667163372, 1.0, 2.0, 0.0, 1.33083724975586, 2.0, 1.0, 0.166126951575279, 0.0, 0.0, 0.0, 0.0, -0.149864181876183, 0.0, 0.471404522657394, 0.0, 0.0, 0.0
InChI%3D1S%2FH4N2%2Fc1-2%2Fh1-2H2, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 2.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.15470051765442, 0.0, 0.333333343267441, 0.0, , 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 52.0400009155273, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.71997618675232, 0.0, 0.0, 1.35998809337616, 0.0, 0.0, 1.0, 0.0, 22.4316024780273, 0.0, 0.0, 0.0, 0.0, 11.2158012390137, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 23.0200004577637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC2F4%2Fc3-1%284%292%285%296, 0.0, 1.33333337306976 1.33333337306976, 0.0, -0.1672533005476, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.111502200365067, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 22.0, 24.0, 0.0539949238300323 0.0539949238300323, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.22222232818604, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.5118579864502, 0.0, 1.0059289932251, 0.0, , 1.0, 0.0714285746216774, 0.0, 0.520821630954742, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.142857149243355, 0.0, 0.00510204071179032, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0081768035889, 0.0, 0.0, 7.32714033126831, 0.0, 0.0, 29.0, 0.0, 55.0831069946289, 2.0, 0.0, 11.3312282562256, 0.0, 52.2674255371094, 0.0, 0.0, 10.0081768035889, 0.0, 0.0, 0.0, 0.0, 0.0, 53.1347694396973, 0.0, 3.58496260643005, 4.0, 28.408899307251, 0.0, 5.03999996185303, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.154700756073, 0.0, 0.0, 0.333333343267441, 2.64273452758789, 0.0, 0.0, 0.0, 0.666666686534882, 0.0, 2.48803377151489, 0.0, 0.0, 0.0, 0.0, 1.33333337306976, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.3345066010952, 0.0, 0.0, 0.0, 0.0, -0.111502200365067, 0.0, 0.0, 0.0, 4.0, 0.0
InChI%3D1S%2FC14H15N3%2Fc1-17%282%2914-10-8-13%289-11-14%2916-15-12-6-4-3-5-7-12%2Fh3-11H%2C1-2H3%2Fb16-15%2B, 0.0, 1.90646553039551 1.90646553039551, 1.94663918018341, -0.0466382242739201, 0.0, 0.0, 0.0, 2.17398381233215 2.17398381233215, 1.24664199352264, -0.01195446588099, 0.0, 0.0, 2.34318876266479 2.34318876266479, -0.0282172840088606, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 0.0, 82.0, 305.0, 0.732135653495789 0.732135653495789, 0.0, 0.0, 0.0, 0.0, 0.641809463500977 0.641809463500977, 0.0, 0.0, 0.0, 13.4320983886719, 0.0, 0.0, 0.560363829135895 0.560363829135895, 0.0, 6.80529308319092, 0.0, 0.0, 0.0, 0.0, 4.30178308486938, 0.185395404696465, 0.0, 0.0, 0.0, 0.179206877946854, 10.0377931594849, 0.0598527938127518, 5.49729824066162, 0.0391895808279514, , 0.793700516223907, 0.447213590145111, 0.0, 3.94637417793274, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.40324068069458, 0.0, 0.0745356008410454, 0.0, 1.42757225036621, 2.0, 0.0, 0.0, 0.882434666156769, 0.0, 0.0, 0.0, 0.0, 0.400378197431564, 0.0, 27.9599990844727, 0.0, 0.195322379469872, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.079963684082, 0.0, 0.0, 19.1909141540527, 0.0, 0.0, 606.0, 0.5, 958.616821289062, 0.0, 0.0, 24.3294811248779, 2.92057275772095, 1057.57214355469, 0.0, 0.0, 22.6618518829346, 0.0, 0.0, 0.0, 0.0, 1.39247667789459, 1328.20788574219, 16.1632976531982, 5.08746290206909, 21.0, 1187.27197265625, 0.0, 817.030029296875, 0.0, 847.483947753906, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.365148365497589, 12.0, 0.0, 12.0875759124756, 0.0, 0.0, 0.454545468091965, 8.25401973724365, 0.0, 0.0, 0.0, 0.90824830532074, 2.0, 7.10620880126953, 0.0, 0.0, 10.268575668335, 0.0, 5.54212856292725, 0.16666667163372, 9.12838077545166, 0.0, 0.0, 4.09079313278198, 9.0, 0.0, 0.194113105535507, 0.0, 0.0, 0.0, 0.0, -0.0597707368433475, 1.0, 3.1776864528656, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H11N%2Fc1-9%282%298-6-4-3-5-7-8%2Fh3-7H%2C1-2H3, , 1.04044008255005 1.04044008255005, 0.451184451580048, 0.0101056341081858, 0.0, , , 1.05473780632019 1.05473780632019, 0.235702261328697, 0.00502008385956287, , , 1.04044008255005 1.04044008255005, 0.000470615632366389, , 0.0, 0.666666686534882, , , , 40.0, 69.0, 0.493336379528046 0.493336379528046, , 0.0, , 0.0, 0.395739376544952 0.395739376544952, 0.0, 0.0, , 7.11111116409302, 0.0, , 0.328890919685364 0.328890919685364, 0.0, 3.23966932296753, 0.0, 0.0, , 0.0, 2.0, 0.102062076330185, 0.0, , 0.0, 0.0589255653321743, 5.83396482467651, 0.0320750139653683, 3.02871751785278, 0.0143443830311298, , 0.0, 0.298142403364182, 0.0, 2.22997641563416, 0.0, 0.0, , 0.0, , 0.0, 1.27259135246277, 0.0, 0.0745356008410454, , 0.72613650560379, 2.0, 0.0, , 0.414273083209991, , , , 0.0, 0.128069564700127, , 3.24000000953674, 0.0, 0.0573775321245193, , 0.0, 0.0, 0.0, , 0.0, 9.35998821258545, 0.0, , 9.49855613708496, 0.0, , 88.0, 0.5, 452.774993896484, 0.0, 0.0, 11.3323707580566, 2.68246150016785, 480.069946289062, 0.0, 0.0, 9.33237075805664, 0.0, , , , 1.0, 570.351928710938, 5.16618537902832, 4.16992521286011, 9.0, 441.315216064453, , 328.010009765625, 0.0, 213.384414672852, 1.0, , , 0.0, , 0.0, 0.0, , 0.0, , , 0.0, 0.0, , , 0.0, 0.0, , , 0.0, 0.0, , 0.0, 6.0, , 6.69023466110229, , , 0.400000005960464, 4.30453062057495, 0.0, , , 0.5, , 3.6421070098877, 0.0, 0.0, 6.08364343643188, , 2.59263896942139, 0.16666667163372, 3.04182171821594, , , 1.80083346366882, 5.0, , 0.0936712920665741, 0.0, 0.0, , , -0.062448363751173, , 1.25044357776642, , , 0.0
InChI%3D1S%2FC6H3Cl3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H, , 2.00613451004028 2.00613451004028, 0.69780433177948, -0.0815110579133034, 0.0, , , 2.69851565361023 2.69851565361023, 0.111111111938953, -0.0452231466770172, , , 3.27736973762512 3.27736973762512, 0.00426270300522447, , 0.0, 0.666666686534882, , , , 48.0, 76.0, 0.854016959667206 0.854016959667206, , 0.0, , 0.0, 1.26715743541718 1.26715743541718, 0.0, 0.0, , 8.10000038146973, 0.0, , 1.17672204971313 1.17672204971313, 0.0, 2.93877553939819, 0.0, 0.0, , 0.0, 1.75, 0.0555555559694767, 0.0, , 0.0, 0.222222223877907, 7.00359439849854, 0.020833333954215, 3.57914757728577, 0.0801852867007256, , 3.53277564048767, 0.572210788726807, 0.0, 2.9688777923584, 0.0, 0.0, , 0.0, , 0.0, 1.77611458301544, 0.0, 0.0731925070285797, , 1.35156226158142, 0.0, 0.0, , 0.493614852428436, , , , 0.0, 0.306730449199677, , 20.2299995422363, 0.0, 0.0211288556456566, , 0.0, 0.0, 0.0, , 0.0, 33.9127311706543, 0.0, , 16.1873035430908, 0.0, , 110.0, 0.0, 646.325500488281, 0.0, 0.0, 26.3746089935303, 0.0, 719.2841796875, 0.0, 0.0, 31.2385787963867, 0.0, , , , 0.0, 932.21142578125, 36.3255653381348, 4.32192802429199, 13.0, 777.693481445312, , 79.0400009155273, 0.0, 346.188537597656, 4.0, , , 0.0, , 0.0, 0.0, , 0.0, , , 0.0, 0.0, , , 0.0, 0.0, , , 0.0, 0.0, , 0.0, 6.0, , 7.72361469268799, , , 0.400000005960464, 4.60906076431274, 0.0, 0.0, , 0.952529728412628, , 4.39026069641113, 0.0, 0.0, 0.5, , 3.34344482421875, 0.272165536880493, 5.11154460906982, , , 2.35571956634521, 2.0, , 0.224122390151024, 0.0, 0.0, , , -0.0252691581845284, , 1.30466866493225, , , 0.0
InChI%3D1S%2FC10H10O3%2Fc1-2-8%2811%297-3-4-9-10%285-7%2913-6-12-9%2Fh2-5%2C8%2C11H%2C1%2C6H2, 0.0, 1.98881256580353 1.98881256580353, 1.75920295715332, 0.0898971930146217, 1.0, 2.0, 0.0, 2.75419497489929 2.75419497489929, 1.22914946079254, 0.0134991547092795, 0.0, 0.0, 3.0659646987915 3.0659646987915, -0.0709564462304115, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 66.0, 151.0, 0.603998422622681 0.603998422622681, 0.0, 0.0, 0.0, 0.0, 0.697288453578949 0.697288453578949, 0.0, 0.365148365497589, 0.0, 9.55102062225342, 0.0, 0.0, 0.635595858097076 0.635595858097076, 0.0, 4.02216053009033, 0.117851130664349, 0.0, 0.0, 0.0, 1.91999995708466, 0.234708055853844, 0.0294627826660872, 1.0, 0.0, 0.301472395658493, 7.06467485427856, 0.0580769516527653, 4.01208829879761, 0.061677772551775, , 2.94168281555176, 0.288611769676208, 0.0, 2.79323816299438, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.96140730381012, 0.0, 0.0387340895831585, 0.0, 1.23318195343018, 0.0, 0.0, 0.0, 0.724303960800171, 0.0, 0.0, 0.0, 1.0, 0.392604529857635, 0.0, 38.689998626709, 0.0, 0.21534937620163, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 15.3234071731567, 1.0, 0.0, 15.6604595184326, 0.5, 0.0, 241.0, 0.0, 673.000671386719, 0.0, 0.0, 21.7670211791992, 1.41036784648895, 770.127380371094, 0.0, 0.0, 19.3246440887451, 0.0, 0.0, 0.0, 0.0, 1.09204828739166, 1032.09631347656, 13.6604595184326, 4.70043992996216, 17.0, 884.0751953125, 0.0, 420.029998779297, 0.0, 593.815002441406, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 6.0, 0.0, 9.25914859771729, 0.0, 0.0, 0.428571432828903, 6.30886173248291, 1.0, 0.0, 0.0, 0.735702276229858, 0.0, 5.40972709655762, 1.0, 0.0, 3.41278743743896, 0.0, 4.77893209457397, 0.201184466481209, 9.72190475463867, 0.0, 0.0, 3.5890052318573, 3.0, 0.0, 0.423907697200775, 0.0, 0.0, 0.0, 0.0, -0.284491837024689, 0.0, 2.52724933624268, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H12N2S%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2, 0.0, 1.62954914569855 1.62954914569855, 1.65425360202789, -0.00603343173861504, 0.0, 0.0, 0.0, 1.96420383453369 1.96420383453369, 1.06531405448914, -0.00597999105229974, 0.0, 0.0, 2.76322031021118 2.76322031021118, -0.0344064123928547, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 74.0, 240.0, 0.897750914096832 0.897750914096832, 0.0, 0.0, 0.0, 0.0, 1.01845073699951 1.01845073699951, 0.0, 0.0, 1.0, 11.484375, 0.0, 0.0, 1.23275125026703 1.23275125026703, 0.0, 5.36507940292358, 0.0, 0.0, 0.0, 0.0, 3.5, 0.16666667163372, 0.0, 0.0, 0.0, 0.284517794847488, 8.99824714660645, 0.0555555559694767, 5.44482946395874, 0.100116394460201, , 1.53261888027191, 0.600698351860046, 2.0, 4.38706636428833, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.01163721084595, 0.0, 0.0, 0.0, 2.02431726455688, 0.0, 0.0, 0.0, 1.59137761592865, 0.0, 0.0, 0.0, 0.0, 0.807720065116882, 0.0, 77.3399963378906, 0.100000001490116, 0.476289659738541, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 21.847728729248, 0.0, 0.0, 19.6719417572021, 0.0, 0.0, 404.0, 0.0, 1104.96435546875, 0.0, 0.0, 28.3438816070557, 0.0, 1239.86193847656, 0.0, 0.0, 25.3438816070557, 0.0, 0.0, 0.0, 0.0, 0.0, 1581.14050292969, 15.6719408035278, 4.90689039230347, 18.0, 1375.40869140625, 0.0, 574.030029296875, 0.0, 951.536987304688, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0, 0.0, 10.6733617782593, 0.0, 0.0, 0.5, 7.23718357086182, 0.0, 0.0, 0.0, 0.985598564147949, 0.0, 6.48749780654907, 0.0, 0.0, 8.69190216064453, 0.0, 4.93752384185791, 0.0, 12.3619976043701, 0.0, 0.0, 3.60103964805603, 8.0, 0.0, 0.0795257166028023, 0.0, 0.0, 0.0, 0.0, -0.0273062065243721, 0.0, 3.21497464179993, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H7N3O2%2Fc1-2-3-7%286-9%294%285%298%2Fh2H%2C1%2C3H2%2C%28H2%2C5%2C8%29, , 1.08925569057465 1.08925569057465, 0.0, 0.100237868726254, 1.0, 0.0, 0.0, 1.20710682868958 1.20710682868958, 0.0, -0.10156112164259, , 0.0, 0.804737865924835 0.804737865924835, 0.0342602729797363, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 34.0, 63.0, 0.19438648223877 0.19438648223877, 0.0, 0.25, 0.0, 0.0, 0.141088843345642 0.141088843345642, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.0691462531685829 0.0691462531685829, 0.0, 4.83950614929199, 0.0, 0.0, 0.0, 0.0, 3.55555558204651, 0.0, 0.0, 1.0, 0.0, 0.0, 4.74145269393921, 0.0, 2.21251201629639, 0.0, , 0.0, 0.120710678398609, 0.0, 1.27604103088379, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.645085036754608, 0.0, 0.0158113874495029, , 0.280756294727325, 0.0, 0.0, 0.0, 0.0847126021981239, 0.0, 0.0, , 1.0, 0.0, 0.0, 76.75, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.5, 11.6289024353027, 0.0, 0.0, 9.74410152435303, 0.0, , 96.0, 0.0, 299.018615722656, 1.0, 0.0, 11.5189418792725, 1.41421353816986, 298.062164306641, 0.0, 0.0, 11.4082860946655, 0.0, 0.0, 0.0, 0.0, 0.25, 318.690551757812, 9.32448959350586, 4.16992521286011, 9.0, 274.158325195312, 0.0, 153.050003051758, 0.0, 172.440216064453, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, , 1.0, 0.0, , 0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 7.27602100372314, , , 0.400000005960464, 4.21874380111694, 1.0, 0.0, 0.0, 0.5, 1.0, 3.20102000236511, 0.0, 0.0, 1.0, 0.0, 2.12665247917175, 0.16666667163372, 0.816496610641479, 0.0, 0.0, 1.37965285778046, 0.0, 0.0, 0.163310885429382, 0.0, 0.0, 0.0, 1.0, -0.115903973579407, 1.0, 0.537457466125488, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H7F3N2O%2Fc1-2-9%288-10%293-4%285%2C6%297%2Fh2-3H2%2C1H3, , 1.12268280982971 1.12268280982971, 0.0, -0.0284761376678944, 2.0, 0.0, 0.0, 1.78458404541016 1.78458404541016, 0.0, 0.0863198786973953, , 0.0, 2.07325911521912 2.07325911521912, -0.113425940275192, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 42.0, 72.0, 0.258587926626205 0.258587926626205, , 0.0, 0.0, 0.0, 0.254689574241638 0.254689574241638, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.171411111950874 0.171411111950874, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 5.53086423873901, 0.0, 0.0, 0.0, 0.0, 0.0, 5.35078239440918, 0.0, 2.64263653755188, 0.0, , 0.0, 0.278520345687866, 0.0, 1.67761838436127, 0.0, 0.0, , 0.0190900880843401, , 0.0, 0.842296600341797, 0.0, 0.0, , 0.405357450246811, 1.0, 0.0, 0.0, 0.159505814313889, , , , 0.0, 0.0, , 32.6699981689453, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 16.0005779266357, 0.0, , 11.9911794662476, 0.0, , 126.0, 0.0, 236.260955810547, 0.0, 0.0, 19.4696941375732, 1.15470051765442, 240.695129394531, 1.0, 0.0, 12.530517578125, 0.0, 0.0, 0.0, , 0.0, 275.309051513672, 13.9435024261475, 4.32192802429199, 9.0, 212.915939331055, 0.0, 166.059997558594, 0.25, 159.336212158203, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 8.19867038726807, , , 0.400000005960464, 4.49251174926758, 0.0, 0.0, 0.0, 1.76478433609009, 1.0, 4.44730615615845, 0.0, 0.353553384542465, 0.5, , 2.05574822425842, 0.0, 0.0, 0.0, 0.0, 1.44337570667267, 0.0, 0.0, 0.343220502138138, 0.0, 1.15470051765442, 0.0, 1.0, -0.170959129929543, 1.0, 0.866025388240814, 0.0, 3.0, 0.0
InChI%3D1S%2FC9H13N.ClH%2Fc1-6-4-8%283%299%2810%295-7%286%292%3B%2Fh4-5H%2C10H2%2C1-3H3%3B1H, 0.0, 2.15380668640137 2.15380668640137, 0.601579308509827, -0.00417235027998686, 0.0, 0.0, 0.0, 2.17273211479187 2.17273211479187, 0.111111111938953, -0.0005054249195382, 0.0, 0.0, 3.37359476089478 3.37359476089478, -1.71348910953384e-05, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 48.0, -1474836480.0, 1.01162731647491 1.01162731647491, 0.0, 0.0, 0.0, 0.0, 0.882540822029114 0.882540822029114, 0.0, 0.0, 0.0, 11.0, 0.0, 0.0, 1.17420744895935 1.17420744895935, 0.0, 4.13265323638916, 0.0, 0.0, 0.0, 0.0, 2.5, 0.0555555559694767, 0.0, 0.0, 0.0, 0.222222223877907, 7.95679569244385, 0.020833333954215, 3.44337558746338, 0.0745281279087067, , 3.30192732810974, 0.516346037387848, 1.0, 2.79305505752563, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.88237142562866, 0.0, 0.131445854902267, 0.0, 0.982852399349213, 3.0, 0.0, 0.0, 0.630813658237457, 0.0, 0.0, 0.0, 0.0, 0.205973982810974, 0.0, 26.0200004577637, 0.0, 0.0328614637255669, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.0727424621582, 3.0, 0.0, 10.1661853790283, 0.0, 0.0, 10000000000.0, 0.766309440135956, 582.732971191406, 0.0, 0.0, 14.3323707580566, 2.44948983192444, 632.276123046875, 0.0, 0.0, 13.498556137085, 0.0, 0.0, 0.0, 0.0, 5.42161178588867, 832.702697753906, 6.33237028121948, 4.45943164825439, 13.0, 699.80517578125, 0.0, 466.019989013672, 0.0, 288.913543701172, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 7.72361469268799, 0.0, 0.0, 0.999000012874603, 4.60906076431274, 0.0, 0.0, 0.0, 0.942809045314789, 0.0, 4.380539894104, 0.0, 0.0, 0.333333343267441, 0.0, 3.42994904518127, 0.333333343267441, 5.65685415267944, 0.0, 0.0, 2.10210156440735, 2.0, 0.0, 0.0269169583916664, 0.0, 0.0, 0.0, 0.0, -0.0087634464725852, 0.0, 1.57683420181274, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H10O2%2Fc1-2-4-8%285-3-1%2910-6-9-7-11-9%2Fh1-5%2C9H%2C6-7H2, 0.0, 0.577350258827209 0.577350258827209, 0.877930760383606, -0.0912750735878944, 2.0, 2.0, 0.0, 0.676977038383484 0.676977038383484, 0.518728733062744, 0.090378537774086, 0.0, 0.0, 0.786566078662872 0.786566078662872, -0.008987239561975, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 54.0, 134.0, 0.174792468547821 0.174792468547821, 0.0, 0.0, 0.0, 0.288675129413605, 0.175430983304977 0.175430983304977, 0.16666667163372, 0.0, 0.0, 7.63888883590698, 0.20412415266037, 0.0, 0.175288170576096 0.175288170576096, 0.0, 3.59999990463257, 0.0, 0.0, 0.0, 0.117851130664349, 2.5, 0.185395404696465, 0.0, 0.0, 0.0, 0.19001992046833, 6.19481182098389, 0.0561312772333622, 3.74435687065125, 0.0408723466098309, , 0.333333343267441, 0.185892507433891, 0.0, 2.57939863204956, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.41479992866516, 0.0, 0.0, 0.0, 0.802116632461548, 0.0, 0.0, 0.0, 0.504359722137451, 0.0, 0.0, 0.0, 0.0, 0.207858890295029, 0.0, 21.7600002288818, 0.0, 0.104887083172798, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.5489377975464, 0.0, 0.0, 13.3283681869507, 0.333333343267441, 0.0, 173.0, 0.0, 466.648834228516, 0.0, 0.0, 13.3283681869507, 0.0, 513.386840820312, 0.0, 0.0, 11.7707452774048, 0.0, 0.0, 0.0, 0.0, 0.0, 542.556518554688, 7.66418409347534, 4.45943164825439, 10.0, 442.55859375, 0.0, 374.019989013672, 0.0, 295.777954101562, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.0, 0.0, 7.51866149902344, 0.0, 0.0, 0.428571432828903, 5.44948959350586, 0.0, 0.0, 0.0, 0.40824830532074, 0.0, 4.52476167678833, 1.0, 0.0, 7.72895765304565, 0.0, 3.11615633964539, 0.0, 5.79553556442261, 0.0, 0.0, 2.23589444160461, 5.0, 0.0, 0.352454751729965, 0.0, 0.0, 0.0, 0.0, -0.156075268983841, 0.0, 1.68728744983673, 0.0, 0.0, 0.0
InChI%3D1S%2FC13H11NO2%2Fc1-15-13-6-9-8-4-2-3-5-11%288%2916-12%289%297-10%2813%2914%2Fh2-7H%2C14H2%2C1H3, 0.0, 2.76078176498413 2.76078176498413, 3.25279593467712, -0.0491402111947536, 0.0, 1.0, 0.0, 4.59651517868042 4.59651517868042, 2.38261365890503, 0.00765808112919331, 0.0, 0.0, 6.3794322013855 6.3794322013855, -0.0284973066300154, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 88.0, 213.0, 0.905117690563202 0.905117690563202, 0.0, 0.0, 0.0, 0.0, 1.25446748733521 1.25446748733521, 0.0, 0.0, 0.0, 11.1111106872559, 0.0, 0.0, 1.41781961917877 1.41781961917877, 0.0, 4.34911251068115, 0.0785674229264259, 0.0, 0.0, 0.0, 1.86121261119843, 0.361111104488373, 0.0255155190825462, 0.0, 0.0, 0.651655793190002, 8.85794830322266, 0.107536673545837, 5.04134654998779, 0.147457033395767, , 7.24288654327393, 0.404447585344315, 1.0, 3.6885392665863, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.72906351089478, 4.0, 0.0744958817958832, 0.0, 1.9439845085144, 1.0, 0.0, 0.0, 1.31831133365631, 0.0, 0.0, 0.0, 0.0, 0.753535509109497, 0.0, 48.3899993896484, 0.0, 0.449220389127731, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.9089260101318, 2.0, 0.0, 19.4945526123047, 0.200000002980232, 0.0, 401.0, 0.0, 1019.83160400391, 0.0, 0.0, 28.3249225616455, 1.08738040924072, 1224.87390136719, 0.0, 0.0, 28.8783874511719, 0.0, 0.0, 0.0, 0.0, 1.53261888027191, 1790.53271484375, 22.214204788208, 5.0, 26.0, 1682.60229492188, 0.0, 601.030029296875, 0.0, 1219.46826171875, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 11.1209554672241, 0.0, 0.0, 0.5, 7.79202508926392, 0.0, 0.0, 0.0, 1.00786781311035, 0.0, 6.98504400253296, 0.0, 0.0, 5.49776697158813, 0.0, 6.30737686157227, 0.309489458799362, 13.9315013885498, 0.0, 0.0, 5.46507549285889, 6.0, 0.0, 0.366346627473831, 0.0, 0.0, 1.0, 0.0, -0.161314725875854, 0.0, 4.4603009223938, 0.0, 0.0, 0.0
InChI%3D1S%2FC2H6N2O%2Fc1-4%282%293-5%2Fh1-2H3, , 0.40824830532074 0.40824830532074, 0.0, 0.0393256060779095, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, -0.0309791192412376, , 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 16.0, 19.0, 0.0816496610641479 0.0816496610641479, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.25, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.30267548561096, 0.0, 1.27700138092041, 0.0, , 0.0, 0.200000002980232, 0.0, 0.928863227367401, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.163299322128296, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 32.6699981689453, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.49444532394409, 0.0, 0.0, 5.24582433700562, 0.0, 0.0, 18.0, 0.5, 103.42862701416, 0.0, 0.0, 4.88583660125732, 0.0, 89.8000946044922, 0.0, 0.0, 2.66418385505676, 0.0, 0.0, 0.0, 0.0, 0.0, 79.2500381469727, 0.0, 3.32192802429199, 2.0, 27.2843933105469, 0.0, 80.0299987792969, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 4.28445720672607, 0.0, 0.0, 0.333333343267441, 2.27005553245544, 0.0, 0.0, 0.0, 0.40824830532074, 1.0, 1.80209517478943, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0653609186410904, 0.0, 0.0, 0.0, 1.0, -0.041026946157217, 1.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC18H18Cl2N2O3%2Fc1-24-15-7-6-11%288-16%2815%2925-12-4-2-3-5-12%2918%2823%2922-17-13%2819%299-21-10-14%2817%2920%2Fh6-10%2C12H%2C2-5H2%2C1H3%2C%28H%2C21%2C22%2C23%29, 0.0, 3.80492401123047 3.80492401123047, 3.62571668624878, -0.169169694185257, 6.0, 2.0, 2.0, 5.63974189758301 5.63974189758301, 2.42630624771118, 0.275999039411545, 0.0, 0.0, 7.31143283843994 7.31143283843994, -0.284305781126022, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 128.0, 506.0, 1.75221383571625 1.75221383571625, 0.0, 0.0, 0.0, 0.0, 2.43548846244812 2.43548846244812, 0.0, 0.365148365497589, 0.0, 19.7530860900879, 0.0, 0.0, 2.45727324485779 2.45727324485779, 0.0, 9.27392292022705, 0.144337564706802, 0.0, 0.0, 0.0, 5.04166650772095, 0.23814482986927, 0.144337564706802, 0.0, 0.0, 0.378629595041275, 15.6464872360229, 0.124648496508598, 9.41832828521729, 0.174257785081863, , 8.46354866027832, 0.902124762535095, 0.0, 7.37874698638916, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.28177499771118, 0.0, 0.148626267910004, 0.0, 3.83609008789062, 1.0, 0.0, 0.0, 1.99297702312469, 0.0, 0.0, 0.0, 0.0, 1.20165264606476, 0.0, 59.9199981689453, 0.0, 0.592748403549194, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 43.4688911437988, 1.0, 0.0, 33.2286758422852, 0.333333343267441, 0.0, 1567.0, 0.0, 1696.92907714844, 2.0, 0.0, 48.5159873962402, 1.52930331230164, 1962.47912597656, 0.0, 0.0, 55.266788482666, 0.0, 0.0, 0.0, 0.0, 1.52181828022003, 2656.654296875, 53.2008895874023, 5.64385604858398, 37.0, 2578.22412109375, 0.0, 1801.06994628906, 0.0, 2272.59008789062, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.25, 1.0, 0.0, 0.0, 12.0, 0.0, 17.8111896514893, 0.0, 0.0, 0.5, 12.0797185897827, 0.0, 1.0, 0.0, 1.54731369018555, 1.0, 10.6500368118286, 3.0, 0.0, 7.87924528121948, 0.0, 9.04504299163818, 0.393634557723999, 17.9404563903809, 0.0, 0.0, 7.21736097335815, 3.0, 0.0, 0.715682983398438, 0.0, 0.0, 0.0, 1.0, -0.315330684185028, 0.0, 5.20992040634155, 0.0, 0.0, 0.0
InChI%3D1S%2FC14H19N3S.ClH%2Fc1-16%282%299-10-17%2812-13-6-5-11-18-13%2914-7-3-4-8-15-14%3B%2Fh3-8%2C11H%2C9-10%2C12H2%2C1-2H3%3B1H, 0.0, 1.6163843870163 1.6163843870163, 2.00300645828247, 0.0282729715108871, 3.0, 0.0, 0.0, 2.26718401908875 2.26718401908875, 1.48198068141937, 0.108549885451794, 0.0, 0.0, 2.79239320755005 2.79239320755005, -0.159383028745651, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 1.0, 86.0, -654705728.0, 1.02191007137299 1.02191007137299, 0.0, 0.0, 0.0, 0.0, 1.19538700580597 1.19538700580597, 0.0, 0.0, 0.0, 17.0526313781738, 0.0, 0.0, 1.25268280506134 1.25268280506134, 0.333333343267441, 9.03125, 0.144337564706802, 0.0, 0.0, 0.0, 5.87755107879639, 0.20412415266037, 0.117851130664349, 0.0, 0.0, 0.117851130664349, 12.9539031982422, 0.108178533613682, 6.96557235717773, 0.04837891086936, , 0.333333343267441, 0.735766172409058, 0.0, 5.5243763923645, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.57835388183594, 0.0, 0.0288675129413605, 0.0, 2.44621133804321, 2.0, 0.0, 0.0, 1.49072480201721, 0.0, 0.0, 0.0, 0.0, 0.856203496456146, 0.0, 47.6100006103516, 0.0, 0.592931568622589, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 33.9204711914062, 0.0, 0.0, 23.6690521240234, 0.0, 0.0, 18000001024.0, 0.5, 1291.810546875, 0.0, 0.0, 30.366455078125, 3.55669260025024, 1432.28479003906, 0.0, 0.0, 23.4705638885498, 0.0, 0.0, 0.0, 0.0, 0.730296730995178, 1814.53527832031, 24.8352375030518, 5.24792766571045, 20.0, 1572.98400878906, 0.0, 1179.05004882812, 0.0, 1544.27368164062, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.63245552778244, 6.0, 0.0, 12.7946825027466, 0.0, 0.0, 0.999000012874603, 8.75401973724365, 0.0, 0.0, 0.0, 0.945705771446228, 0.0, 7.51555156707764, 0.0, 0.0, 12.4890584945679, 0.0, 5.54213190078735, 0.0833333358168602, 7.41553068161011, 1.0, 0.0, 4.37320184707642, 7.0, 0.0, 0.274166971445084, 0.0, 0.0, 0.0, 0.0, -0.192083209753036, 2.0, 3.15977072715759, 0.0, 0.0, 0.0
InChI%3D1S%2FC21H27NO7%2Fc1-6-15-11-13%282%2920%284%2C29-14%283%2923%2919%2825%2927-12-16-7-9-22%285%2910-8-17%2821%2816%2C22%2926%2928-18%2815%2924%2Fh6-7%2C11%2C13%2C17H%2C1%2C8-10%2C12H2%2C2-5H3%2Fb15-11%2B%2Ft13-%2C17%2B%2C20-%2C21%3F%2C22%3F%2Fm0%2Fs1, 0.0, 9.20196723937988 9.20196723937988, 4.53274059295654, 0.102633111178875, 4.0, 3.0, 0.0, 14.4231252670288 14.4231252670288, 3.33168292045593, 0.247858583927155, 0.0, 0.0, 18.808406829834 18.808406829834, -0.327147632837296, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 160.0, 495.0, 4.36658143997192 4.36658143997192, 0.0, 0.922707974910736, 0.0, 0.0, 6.39844417572021 6.39844417572021, 0.0, 2.91478443145752, 0.0, 23.6586894989014, 0.0, 0.0, 6.80949354171753 6.80949354171753, 0.0, 8.50145816802979, 0.144337564706802, 0.0, 0.0, 0.0, 3.97563529014587, 0.576132595539093, 0.174230858683586, 0.0, 0.0, 1.16483950614929, 17.0788822174072, 0.482826083898544, 10.1962642669678, 0.721423745155334, , 5.98578691482544, 2.15763068199158, 0.0, 9.17819595336914, 0.0, 5.16321229934692, 0.0, 0.235702261328697, 0.0, 0.0, 7.11840629577637, 0.0, 0.516669869422913, 0.0, 5.26131534576416, 4.0, 0.0948726534843445, 0.0, 3.35251474380493, 0.0, 0.0, 0.0, 1.0, 1.90811634063721, 0.0, 101.959999084473, 0.0, 1.30903339385986, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 34.7812728881836, 2.0, 0.0, 34.9856605529785, 0.669432938098907, 0.0, 1905.0, 1.61481022834778, 2179.0791015625, 5.0, 0.0, 57.1909027099609, 6.69383001327515, 2641.26123046875, 2.0, 0.0, 69.6811752319336, 0.0, 0.0, 0.0, 0.0, 8.29706192016602, 4037.46899414062, 64.7964172363281, 5.85798120498657, 59.0, 4392.2548828125, 0.0, 2552.080078125, 2.55403017997742, 3976.21752929688, 0.0, 0.0, 0.0, 0.0, 0.0, 0.200000002980232, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 3.0, 0.0, 21.6125202178955, 0.0, 0.0, 0.400000005960464, 13.4750347137451, 3.0, 0.0, 1.0, 3.46753525733948, 0.0, 13.4148006439209, 2.0, 0.326184451580048, 5.62172937393188, 0.0, 11.7752723693848, 1.91533637046814, 13.4212760925293, 0.0, 0.0, 9.08930015563965, 0.0, 0.0, 1.09231066703796, 0.595522046089172, 4.11093854904175, 0.0, 3.0, -0.659945249557495, 0.0, 6.56574964523315, 0.0, 0.0, 0.0
InChI%3D1S%2FCCl4%2Fc2-1%283%2C4%295, 0.0, 0.0 0.0, 0.0, 0.0526669770479202, 0.0, 0.0, 4.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 20.0, 12.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 5.03557348251343, 0.0, 2.26778674125671, 0.0, , 0.0, 2.91572594642639, 0.0, 3.85714292526245, 0.0, 0.0, 0.0, 0.826530635356903, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 35.8510131835938, 0.0, 0.0, 11.8069496154785, 0.0, 0.0, 16.0, 0.0, 300.538757324219, 0.0, 0.0, 52.2765197753906, 0.0, 288.931091308594, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 287.442962646484, 0.0, 3.32192802429199, 0.0, 0.0, 0.0, 4.03999996185303, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.5, 0.0, 0.0, 0.5, 2.0, 0.0, 0.0, 0.0, 2.0, 0.0, 3.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.175556600093842, 0.0, 0.0, 0.0, 0.0, -0.140445277094841, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H7NO2%2Fc1-2-6-3%284%295%2Fh2H2%2C1H3%2C%28H2%2C4%2C5%29, 0.0, 0.288675129413605 0.288675129413605, 0.0, 0.121631443500519, 1.0, 1.0, 0.0, 0.288675129413605 0.288675129413605, 0.0, -0.0234279092401266, 0.0, 0.0, 0.0 0.0, -0.00818125810474157, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 20.0, 31.0, 0.0322748608887196 0.0322748608887196, 0.0, 0.0, 0.0, 0.0, 0.0322748608887196 0.0322748608887196, 0.0, 0.5, 0.0, 6.0, 0.0, 0.0, 0.0 0.0, 0.0, 3.20000004768372, 0.0, 0.0, 0.0, 0.0, 5.33333349227905, 0.0, 0.0, 1.0, 0.0, 0.0, 3.56256866455078, 0.0, 1.67351281642914, 0.0, , 0.0, 0.0456435456871986, 0.0, 0.738165259361267, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.281056076288223, 0.0, 0.0, 0.0, 0.136718511581421, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 53.310001373291, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.90892601013184, 0.0, 0.0, 6.16246128082275, 0.0, 0.0, 32.0, 0.0, 139.028106689453, 1.0, 0.0, 7.21349287033081, 1.0, 124.140464782715, 0.0, 0.0, 3.49827718734741, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 112.48445892334, 2.49827718734741, 3.58496260643005, 3.0, 67.5381774902344, 0.0, 114.029998779297, 0.0, 37.2463722229004, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.99156379699707, 0.0, 0.0, 0.5, 2.77005553245544, 0.0, 0.0, 0.0, 0.40824830532074, 0.0, 2.18252205848694, 0.0, 0.0, 0.0, 0.0, 0.866025388240814, 0.0, 0.5, 0.0, 0.0, 0.577350258827209, 0.0, 0.0, 0.251423269510269, 0.0, 0.0, 0.0, 0.0, -0.215733915567398, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H8N2O%2Fc1-9%288-10%297-5-3-2-4-6-7%2Fh2-6H%2C1H3, 0.0, 1.08925569057465 1.08925569057465, 0.569035589694977, 0.0297068208456039, 0.0, 0.0, 0.0, 1.33925569057465 1.33925569057465, 0.319035589694977, -0.0211885459721088, 0.0, 0.0, 1.37377345561981 1.37377345561981, -0.00429599639028311, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 44.0, 90.0, 0.350230097770691 0.350230097770691, 0.0, 0.0, 0.0, 0.0, 0.326507300138474 0.326507300138474, 0.0, 0.0, 0.0, 8.10000038146973, 0.0, 0.0, 0.262808501720428 0.262808501720428, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 2.28571438789368, 0.102062076330185, 0.0, 0.0, 0.0, 0.0589255653321743, 5.6894268989563, 0.0320750139653683, 2.9640781879425, 0.0143443830311298, , 0.0, 0.174535602331161, 0.0, 1.94080567359924, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.25233697891235, 0.0, 0.0333333350718021, 0.0, 0.690872430801392, 1.0, 0.0, 0.0, 0.393913358449936, 0.0, 0.0, 0.0, 0.0, 0.116314873099327, 0.0, 32.6699981689453, 0.0, 0.050590954720974, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.4944448471069, 0.0, 0.0, 11.2458248138428, 0.0, 0.0, 121.0, 0.0, 439.830200195312, 0.0, 0.0, 13.218207359314, 1.34123075008392, 473.59814453125, 0.0, 0.0, 12.3289251327515, 0.0, 0.0, 0.0, 0.0, 0.5, 565.819396972656, 8.16273975372314, 4.32192802429199, 11.0, 463.092803955078, 0.0, 234.029998779297, 0.0, 245.802047729492, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 6.0, 0.0, 7.39734125137329, 0.0, 0.0, 0.5, 4.8425350189209, 0.0, 0.0, 0.0, 0.402368932962418, 1.0, 3.78362226486206, 0.0, 0.0, 6.08364343643188, 0.0, 3.09851837158203, 0.117851130664349, 3.04182171821594, 0.0, 0.0, 2.03653573989868, 5.0, 0.0, 0.0594926923513412, 0.0, 0.0, 0.0, 1.0, -0.0335793755948544, 1.0, 1.41711032390594, 0.0, 0.0, 0.0
InChI%3D1S%2FC21H28O5%2Fc1-19-7-5-13%2823%299-12%2819%293-4-14-15-6-8-21%2826%2C17%2825%2911-22%2920%2815%2C2%2910-16%2824%2918%2814%2919%2Fh5%2C7%2C9%2C14-16%2C18%2C22%2C24%2C26H%2C3-4%2C6%2C8%2C10-11H2%2C1-2H3%2Ft14%3F%2C15-%2C16-%2C18%2B%2C19-%2C20%3F%2C21-%2Fm0%2Fs1, 0.0, 8.85081577301025 8.85081577301025, 5.81146240234375, -0.193211480975151, 6.0, 0.0, 0.0, 15.5307750701904 15.5307750701904, 4.43084764480591, 0.0700110420584679, 0.0, 0.0, 23.1628379821777 23.1628379821777, 0.0207771603018045, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 154.0, 496.0, 5.72290229797363 5.72290229797363, 0.0, 1.6427845954895, 0.0, 0.0, 9.73078632354736 9.73078632354736, 0.0, 0.0, 0.0, 19.3222351074219, 0.0, 0.0, 13.3864507675171 13.3864507675171, 0.0, 6.25, 0.0721687823534012, 2.0, 0.0, 0.0, 2.48601984977722, 0.42502373456955, 0.0721687823534012, 3.0, 0.0, 1.11664521694183, 15.4422302246094, 0.33823236823082, 9.66062450408936, 0.772049725055695, , 6.86643552780151, 2.16621994972229, 0.0, 9.19195461273193, 0.0, 8.00386810302734, 0.0, 0.224923878908157, 0.0, 0.0, 8.25270652770996, 0.0, 1.0276038646698, 0.0, 6.91933345794678, 2.0, 0.272967100143433, 0.0, 5.22617816925049, 0.0, 0.0, 0.0, 0.0, 3.84146618843079, 0.0, 94.8300018310547, 0.0, 2.76368594169617, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 29.8723449707031, 4.0, 0.0, 30.6604595184326, 0.0, 0.0, 1425.0, 0.16666667163372, 2335.2333984375, 3.0, 0.0, 51.3209190368652, 4.4391918182373, 2967.90405273438, 3.0, 0.0, 64.8661346435547, 0.0, 0.0, 0.0, 0.0, 3.99719643592834, 4843.1376953125, 60.4200325012207, 5.70043992996216, 59.0, 5443.4951171875, 0.0, 2599.05004882812, 2.31898379325867, 4626.8662109375, 0.0, 0.0, 0.0, 0.0, 0.0, 1.10520946979523, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 6.0, 0.0, 18.9054126739502, 0.0, 0.0, 0.5, 12.1705045700073, 3.0, 0.0, 0.0, 3.17036509513855, 0.0, 12.3200855255127, 4.0, 0.321975260972977, 9.15236949920654, 0.0, 11.5402040481567, 1.78144609928131, 20.1967220306396, 0.0, 0.0, 9.71610736846924, 0.0, 0.0, 0.522666752338409, 0.55756676197052, 8.84229755401611, 0.0, 2.0, -0.116196513175964, 0.0, 7.81933259963989, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C8H%2C1H3, , 0.901047587394714 0.901047587394714, 0.686886727809906, 0.00146951584611088, 0.0, , , 0.937443673610687 0.937443673610687, 0.117851130664349, -0.00875858776271343, , , 1.06903564929962 1.06903564929962, -0.0671387538313866, , 0.0, 1.0, , , , 40.0, 77.0, 0.232675105333328 0.232675105333328, , 0.0, , 0.0, 0.208409935235977, 0.0, 0.200000002980232, , 7.11111116409302, 0.0, , 0.169471442699432, 0.0, 3.23966932296753, 0.0, 0.0, , 0.0, 2.0, 0.0833333358168602, 0.0, , 0.0, 0.142258897423744, 5.16486310958862, 0.0277777779847383, 2.65734648704529, 0.0237628296017647, , 0.333333343267441, 0.142576977610588, , 1.69802534580231, 0.0, 0.0, , 0.0, , 0.0, 1.0724231004715, 0.0, 0.0, , 0.58222097158432, 1.0, 0.0, , 0.347453951835632, , , , 0.0, 0.117238402366638, , 29.4599990844727, 0.0, 0.0226804614067078, , 0.0, 0.0, 0.0, , 0.0, 10.5489377975464, 0.0, , 9.99627590179443, 0.0, , 90.0, 0.0, 366.640869140625, 0.0, 0.0, 12.3283681869507, 1.15470051765442, 391.148651123047, 0.0, 0.0, 10.3283681869507, 0.0, , , , 0.63245552778244, 466.898284912109, 4.66418409347534, 4.16992521286011, 9.0, 352.550903320312, , 217.020004272461, 0.0, 137.953765869141, 2.0, , , 0.0, , 0.0, 0.0, , 0.0, , , 0.0, , , , 0.0, 0.0, , , 0.0, 0.0, , 0.0, 6.0, , 6.69023466110229, , , 0.5, 4.3256983757019, 0.0, , , 0.492799282073975, , 3.53414583206177, 0.0, 0.0, 3.30192732810974, , 2.7127788066864, 0.0, 5.65685415267944, , , 1.73736357688904, 4.0, , 0.246773108839989, 0.0, 0.0, , , -0.11570879817009, , 1.37377345561981, , , 
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, 0.0, 2.56341147422791 2.56341147422791, 2.23499155044556, -0.102529749274254, 0.0, 0.0, 0.0, 3.68636012077332 3.68636012077332, 1.18882620334625, 0.265766769647598, 0.0, 0.0, 4.55300283432007 4.55300283432007, -0.218448951840401, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 82.0, 212.0, 0.610212504863739 0.610212504863739, 0.0, 0.5, 0.0, 0.0, 0.813741445541382 0.813741445541382, 0.0, 0.666666686534882, 0.0, 12.4567470550537, 0.0, 0.0, 0.76761931180954 0.76761931180954, 0.0, 5.10416650772095, 0.117851130664349, 0.0, 0.0, 0.0, 3.02972650527954, 0.20412415266037, 0.0340206921100616, 0.0, 0.0, 0.446958005428314, 8.79843616485596, 0.0466586165130138, 4.62946462631226, 0.071328766644001, , 3.95055055618286, 0.457096874713898, 0.0, 3.36930751800537, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.97442638874054, 0.0, 0.0205692183226347, 0.0, 1.382115483284, 2.0, 0.0, 0.0, 0.705025732517242, 0.0, 0.0, 0.0, 0.0, 0.401874363422394, 0.0, 84.7399978637695, 0.0, 0.175146132707596, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.4033718109131, 0.0, 0.0, 19.6020431518555, 0.0, 0.0, 443.0, 0.25, 784.321105957031, 0.0, 0.0, 28.5116806030273, 1.53261888027191, 903.4619140625, 0.0, 0.0, 25.3171653747559, 0.0, 0.0, 0.0, 0.0, 3.41278743743896, 1234.48657226562, 22.1558494567871, 5.0, 21.0, 1062.43762207031, 0.0, 436.059997558594, 0.0, 900.896728515625, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.400000005960464, 6.0, 0.0, 11.7067422866821, 0.0, 0.0, 0.5, 7.55855083465576, 0.0, 0.0, 0.0, 1.41068363189697, 0.0, 7.25475883483887, 0.0, 0.0, 0.965489387512207, 0.0, 5.33819723129272, 0.25, 6.12046384811401, 2.0, 0.0, 4.48048782348633, 3.0, 0.0, 0.378622680902481, 0.0, 0.0, 1.0, 2.0, -0.181241571903229, 0.0, 3.06155180931091, 0.0, 0.0, 0.0
InChI%3D1S%2FC5H7N3O2%2Fc1-4-6-3-5%287%284%292%298%289%2910%2Fh3H%2C1-2H3, 0.0, 2.12537145614624 2.12537145614624, 0.566452920436859, -0.0161879099905491, 0.0, 0.0, 0.0, 2.80400538444519 2.80400538444519, 0.111111111938953, 0.0387089774012566, 0.0, 0.0, 2.82290863990784 2.82290863990784, -0.00497913500294089, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 48.0, 75.0, 0.681834280490875 0.681834280490875, 0.0, 0.5, 0.0, 0.0, 0.65086829662323 0.65086829662323, 0.0, 0.0, 0.0, 8.10000038146973, 0.0, 0.0, 0.472391486167908 0.472391486167908, 0.5, 2.93877553939819, 0.0962250456213951, 0.0, 0.0, 0.0, 1.55017304420471, 0.248005643486977, 0.0288675129413605, 0.0, 0.0, 0.318447262048721, 5.73548746109009, 0.0706449747085571, 2.7536633014679, 0.0652283281087875, , 0.5, 0.306806236505508, 0.0, 1.97973811626434, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.38297247886658, 0.0, 0.0884900167584419, 0.0, 0.65975022315979, 2.0, 0.0, 0.0, 0.252809941768646, 0.0, 0.0, 0.0, 0.0, 0.0864295363426208, 0.0, 63.6399993896484, 0.0, 0.0105409258976579, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.6289024353027, 0.0, 0.0, 12.1040439605713, 0.0, 0.0, 112.0, 0.333333343267441, 393.573913574219, 0.0, 0.0, 16.9895553588867, 0.666666686534882, 440.985931396484, 0.0, 0.0, 14.62965965271, 0.0, 0.0, 0.0, 0.0, 2.14913988113403, 589.127807617188, 9.60148525238037, 4.32192802429199, 12.0, 414.143920898438, 0.0, 199.050003051758, 0.0, 175.712432861328, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 0.0, 7.72361469268799, 0.0, 0.0, 0.400000005960464, 4.6258978843689, 0.0, 0.0, 0.0, 0.897568464279175, 0.0, 4.32162237167358, 0.0, 0.0, 0.0, 0.0, 3.38456106185913, 0.350732952356339, 1.41421353816986, 1.0, 0.0, 2.34356737136841, 1.0, 1.0, 0.238238349556923, 0.0, 0.0, 0.0, 2.0, -0.126929774880409, 0.0, 1.16404354572296, 0.0, 0.0, 0.0
InChI%3D1S%2FC14H13N3O2S%2Fc1-19-13-7-9%2820%282%2918%293-4-10%2813%2914-16-11-5-6-15-8-12%2811%2917-14%2Fh3-8H%2C1-2H3%2C%28H%2C16%2C17%29, 0.0, 3.28299021720886 3.28299021720886, 3.53530144691467, -0.0437036380171776, 0.0, 1.0, 0.0, 4.85782194137573 4.85782194137573, 2.58990573883057, -0.080877959728241, 0.0, 0.0, 6.48925924301147 6.48925924301147, 0.17779166996479, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 106.0, 336.0, 1.25963521003723 1.25963521003723, 0.0, 0.0, 0.0, 0.0, 1.42705082893372 1.42705082893372, 0.0, 0.200000002980232, 0.0, 14.9173555374146, 0.0, 0.0, 1.5421336889267 1.5421336889267, 0.0, 6.40582704544067, 0.0962250456213951, 0.0, 0.0, 0.0, 3.12244892120361, 0.343013048171997, 0.025000000372529, 0.0, 0.0, 0.538794755935669, 11.4893493652344, 0.0869403481483459, 6.82657623291016, 0.112975768744946, , 5.97347211837769, 0.631710231304169, 0.0, 5.00316572189331, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.49203848838806, 2.0, 0.107110127806664, 0.0, 2.26754975318909, 2.0, 0.0, 0.0, 1.52882945537567, 0.0, 0.0, 0.0, 0.0, 0.920777857303619, 0.0, 84.1800003051758, 0.0, 0.521492779254913, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 28.7566547393799, 1.0, 0.0, 29.5572662353516, 0.0, 0.0, 806.0, 0.16666667163372, 1423.94311523438, 0.0, 0.0, 37.3574066162109, 2.20206022262573, 1664.22192382812, 0.0, 0.0, 37.6894989013672, 0.0, 0.0, 0.0, 0.0, 2.72542452812195, 2338.8251953125, 34.6864929199219, 5.32192802429199, 31.0, 2253.8486328125, 0.0, 776.059997558594, 0.0, 1896.16906738281, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 1.04004192352295, 0.0, 2.0, 0.0, 8.0, 0.0, 14.1125192642212, 0.0, 0.0, 0.5, 9.68587207794189, 0.0, 0.0, 0.0, 1.30274939537048, 0.0, 8.68543243408203, 0.0, 0.0, 4.0464882850647, 0.0, 7.43196821212769, 0.386082768440247, 12.4941129684448, 3.0, 0.0, 6.147864818573, 6.0, 0.0, 0.453235328197479, 0.0, 0.0, 0.0, 1.0, -0.194008052349091, 0.0, 4.9868631362915, 1.0, 0.0, 0.0
InChI%3D1S%2FC15H11NO2%2Fc1-8-6-7-11-12%2813%288%2916%2915%2818%2910-5-3-2-4-9%2810%2914%2811%2917%2Fh2-7H%2C16H2%2C1H3, 0.0, 3.985595703125 3.985595703125, 3.4858717918396, -0.0155247217044234, 0.0, 0.0, 0.0, 6.73738718032837 6.73738718032837, 2.42994666099548, -0.0846310555934906, 0.0, 0.0, 10.8864765167236 10.8864765167236, -0.109173581004143, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 100.0, 237.0, 1.38155233860016 1.38155233860016, 0.0, 0.200000002980232, 0.0, 0.0, 1.8607474565506 1.8607474565506, 0.0, 0.0, 0.0, 13.0050001144409, 0.0, 0.0, 2.42774963378906 2.42774963378906, 0.0, 4.83555555343628, 0.0, 0.0, 0.0, 0.0, 1.98347103595734, 0.175925925374031, 0.0, 0.0, 0.0, 0.445511013269424, 9.85794830322266, 0.0642361119389534, 5.68495750427246, 0.129106134176254, , 13.8563365936279, 0.597574770450592, 1.0, 4.42252826690674, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.35151839256287, 0.0, 0.155536323785782, 0.0, 2.3164176940918, 1.0, 0.0, 0.0, 1.65098083019257, 0.0, 0.0, 0.0, 0.0, 0.93836784362793, 0.0, 60.1599998474121, 0.0, 0.546919941902161, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.9089260101318, 5.0, 0.0, 20.8303699493408, 0.0, 0.0, 519.0, 0.0, 1291.48315429688, 2.0, 0.0, 31.660737991333, 1.22054314613342, 1571.24890136719, 0.0, 0.0, 38.321475982666, 0.0, 0.0, 0.0, 0.0, 2.41710042953491, 2338.84375, 34.3729400634766, 5.16992521286011, 35.0, 2515.92114257812, 0.0, 655.030029296875, 0.0, 1942.91186523438, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 7.0, 0.0, 12.861442565918, 0.0, 0.0, 0.5, 8.6090612411499, 0.0, 0.0, 0.0, 1.33241188526154, 0.0, 7.98535537719727, 0.0, 0.0, 5.15518665313721, 0.0, 7.46243953704834, 0.601001560688019, 15.9953508377075, 0.0, 0.0, 6.25888252258301, 6.0, 0.0, 0.270862251520157, 0.0, 0.0, 0.0, 2.0, -0.0393170639872551, 0.0, 5.26281070709229, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H8N2O%2Fc1-3-5%286%294-2%2Fh3H2%2C1-2H3, 0.0, , , -0.0445347465574741, 1.0, 0.0, 0.0, , , -0.00637772539630532, 0.0, 0.0, , 0.00585381221026182, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 20.0, 29.0, , 0.0, 0.0, 0.0, , , , 0.0, 0.0, 6.0, , 0.0, , 0.0, 3.20000004768372, , 0.0, 0.0, , 3.0, , , 0.0, 0.0, , , , , , , 0.0, , 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, , 0.0, , 2.0, , 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 41.1100006103516, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.49444532394409, 0.0, 0.0, 6.24582433700562, 0.0, 0.0, 31.0, 0.25, , 0.0, 0.0, 6.38411378860474, 1.15470051765442, , 0.0, 0.0, 4.8303689956665, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 3.58496260643005, 4.0, , 0.0, 139.029998779297, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.5, , 0.0, 0.0, 0.0, , 1.0, , 0.0, , 0.0, 0.0, , , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.116034917533398, , 0.0, 0.0, 1.0, -0.0129588004201651, 0.0, , 0.0, 0.0, 0.0
InChI%3D1S%2FC6H4Cl2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H, 0.0, 0.816496610641479 0.816496610641479, 0.333333343267441, -0.00385585660114884, 0.0, 0.0, 2.0, 0.760079681873322 0.760079681873322, 0.0, -0.00271514779888093, 0.0, 0.0, 1.13807117938995 1.13807117938995, -0.0362370833754539, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 36.0, 58.0, 0.436435788869858 0.436435788869858, 0.0, 0.0, 0.0, 0.0, 0.344206035137177 0.344206035137177, 0.0, 0.0, 0.0, 6.125, 0.0, 0.0, 0.499412149190903 0.499412149190903, 0.0, 2.51999998092651, 0.0, 0.0, 0.0, 0.0, 1.79999995231628, 0.0833333358168602, 0.0, 0.0, 0.0, 0.16666667163372, 5.57718801498413, 0.0277777779847383, 2.95526051521301, 0.0629940778017044, , 0.333333343267441, 0.377964466810226, 0.0, 2.30930733680725, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.30749583244324, 0.0, 0.0, 0.0, 0.681525647640228, 0.0, 0.0, 0.0, 0.59917026758194, 0.0, 0.0, 0.0, 0.0, 0.125988155603409, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.4255065917969, 0.0, 0.0, 11.9034748077393, 0.0, 0.0, 62.0, 0.0, 452.600219726562, 0.0, 0.0, 17.8069496154785, 0.0, 480.79052734375, 0.0, 0.0, 14.8069496154785, 0.0, 0.0, 0.0, 0.0, 0.0, 564.630737304688, 5.90347480773926, 4.0, 7.0, 375.508026123047, 0.0, 88.0199966430664, 0.0, 101.468994140625, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 5.98312759399414, 0.0, 0.0, 0.400000005960464, 3.78769373893738, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 3.3650438785553, 0.0, 0.0, 3.30192732810974, 0.0, 2.30453038215637, 0.0, 5.65685415267944, 0.0, 0.0, 1.4267463684082, 4.0, 0.0, 0.0801858827471733, 0.0, 0.0, 0.0, 0.0, -0.0236332435160875, 0.0, 1.30473780632019, 0.0, 0.0, 0.0
InChI%3D1S%2FC2H5Br%2Fc1-2-3%2Fh2H2%2C1H3, 0.0, 0.0 0.0, 0.0, -0.00281726010143757, 1.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 6.0, 6.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.67106771469116, 0.0, 2.09583687782288, 0.0, , 0.0, 0.0, 0.0, 1.38873016834259, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 46.2580909729004, 0.0, 0.0, 7.65267562866211, 0.0, 0.0, 4.0, 0.0, 111.527198791504, 0.0, 0.0, 6.65267562866211, 1.0, 78.1987609863281, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 31.3256549835205, 0.0, 2.58496260643005, 0.0, 0.0, 0.0, 43.0099983215332, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.70710682868958, 1.0, 0.0, 0.5, 1.41421353816986, 0.0, 0.0, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0293095912784338, 0.0, 0.0, 0.0, 0.0, -0.0118375355377793, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC13H17N3O2%2Fc1-10-8-15%2814-18%299-11%282%2916%2810%2913%2817%2912-6-4-3-5-7-12%2Fh3-7%2C10-11H%2C8-9H2%2C1-2H3, , 2.80392289161682 2.80392289161682, 2.19055509567261, 0.0306790769100189, 2.0, 0.0, 0.0, 4.99121141433716 4.99121141433716, 1.36769187450409, 0.037467248737812, , 0.0, 6.55738353729248 6.55738353729248, -0.104746624827385, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 90.0, 279.0, 1.30808699131012 1.30808699131012, 0.0, 0.142857149243355, 0.0, 0.0, 2.06618690490723 2.06618690490723, 0.0, 0.0, 0.0, 14.4099721908569, 0.0, 0.0, 2.28798365592957 2.28798365592957, 0.333333343267441, 6.43787002563477, 0.0, 0.0, 0.0, 0.0, 3.32179927825928, 0.157617628574371, 0.0, 0.0, 0.0, 0.241395398974419, 10.6138029098511, 0.0654083490371704, 6.09103918075562, 0.114277958869934, , 2.94168281555176, 0.668660879135132, 0.0, 4.72973823547363, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.27039837837219, 0.0, 0.135838285088539, 0.0, 2.49168848991394, 2.0, 0.0, 0.0, 1.42127394676208, 0.0, 0.0, , 0.0, 0.754258751869202, 0.0, 52.9799995422363, 0.0, 0.32911878824234, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.6289024353027, 1.0, 0.0, 21.076473236084, 0.0, 0.0, 596.0, 0.25, 1110.07092285156, 1.0, 0.0, 28.9346904754639, 2.98093318939209, 1285.29052734375, 0.0, 0.0, 31.3496513366699, 0.0, 0.0, 0.0, 0.0, 3.26598644256592, 1757.34606933594, 29.8476505279541, 5.16992521286011, 28.0, 1783.37622070312, 0.0, 990.049987792969, 0.0, 1480.482421875, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 7.0, 0.0, 13.1209554672241, 0.0, 0.0, 0.5, 8.63022899627686, 0.0, 0.0, 0.0, 1.145756483078, 1.0, 7.53480291366577, 2.0, 0.0, 6.97049140930176, 0.0, 6.30224084854126, 0.317509919404984, 9.52628040313721, 0.0, 0.0, 5.36687803268433, 5.0, 0.0, 0.256706386804581, 0.0, 0.0, 0.0, 2.0, -0.144242733716965, 2.0, 3.69942998886108, 0.0, 0.0, 0.0
InChI%3D1S%2FCd.H2O4S%2Fc%3B1-5%282%2C3%294%2Fh%3B%28H2%2C1%2C2%2C3%2C4%29%2Fq%2B2%3B%2Fp-2, 0.0, 0.0 0.0, , 0.122965343296528, 0.0, 0.0, 0.0, 0.0 0.0, , 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 20.0, -589934592.0, 0.0 0.0, 0.0, 3.0, 1.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 9.375, 0.0, 0.0, 0.0 0.0, 0.0, 2.22222232818604, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 88.6399993896484, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 101.821304321289, 0.0, 0.0, 14.2255973815918, 0.0, 0.0, 5000000000.0, 0.0, 129.793869018555, 0.0, 0.0, 10.6468143463135, 0.0, 113.202278137207, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 144.938140869141, 0.0, 3.58496260643005, 0.0, 0.0, 0.0, 14.0600004196167, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.999000012874603, , 0.0, 0.0, 0.0, 2.0, 0.0, , 0.0, 0.5, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.409884482622147, 0.0, 0.0, 0.0, 2.0, -0.327907592058182, 0.0, , 0.0, 0.0, 0.0
InChI%3D1S%2FC9H8N4O2S%2Fc10-12-9-11-8%285-16-9%296-1-3-7%284-2-6%2913%2814%2915%2Fh1-5H%2C10H2%2C%28H%2C11%2C12%29, 0.0, 2.42793583869934 2.42793583869934, 2.15935635566711, 0.0293857157230377, 0.0, 0.0, 0.0, 3.05008983612061 3.05008983612061, 1.43055689334869, -0.0146749820560217, 0.0, 0.0, 3.25661945343018 3.25661945343018, 0.00240261084400117, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 80.0, 252.0, 0.784009456634521 0.784009456634521, 0.0, 0.5, 0.0, 0.0, 0.959335803985596 0.959335803985596, 0.0, 0.0, 0.0, 12.4567470550537, 0.0, 0.0, 0.891325294971466 0.891325294971466, 0.0, 5.55765581130981, 0.117851130664349, 0.0, 0.0, 0.0, 3.02972650527954, 0.234708055853844, 0.079056940972805, 0.0, 0.0, 0.323895931243896, 8.89976978302002, 0.106834717094898, 5.25416564941406, 0.114541046321392, , 2.18224716186523, 0.396617084741592, 1.0, 3.84432291984558, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.77505731582642, 0.0, 0.0339391753077507, 0.0, 1.85767018795013, 0.0, 0.0, 0.0, 1.09794175624847, 0.0, 0.0, 0.0, 0.0, 0.638539612293243, 0.0, 125.0, 0.0, 0.343377232551575, 0.0, 1.15470051765442, 0.0, 0.0, 0.0, 0.111111111938953, 25.1166439056396, 1.0, 0.0, 22.4712314605713, 0.0, 0.0, 472.0, 0.0, 1015.02001953125, 0.0, 0.0, 31.5262813568115, 0.0, 1167.0078125, 0.0, 0.0, 27.4687175750732, 0.0, 0.0, 0.0, 0.0, 0.0, 1560.53942871094, 22.6650505065918, 5.0, 21.0, 1306.734375, 0.0, 385.070007324219, 0.0, 1036.8095703125, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.288675129413605, 6.0, 0.0, 11.5436058044434, 0.0, 0.0, 0.5, 7.70270872116089, 0.0, 1.0, 0.0, 1.03745746612549, 0.0, 6.76628255844116, 0.0, 0.0, 4.25141477584839, 0.0, 5.58511114120483, 0.25, 9.28654956817627, 1.0, 0.0, 4.19562721252441, 5.0, 0.0, 0.180017560720444, 0.0, 0.0, 0.0, 2.0, -0.0889593437314034, 0.0, 2.9540581703186, 0.0, 0.0, 0.0
InChI%3D1S%2F2Cr.2Na.7H2O%2Fh%3B%3B%3B%3B7%2A1H2%2Fq%3B%3B2%2A%2B1%3B%3B%3B%3B%3B%3B%3B%2Fp-2, 0.0, 0.0 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0 0.0, , 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 57.2317237854004, 0.0, 0.0, 0.0, 0.0, 0.0, 54999998464.0, 0.0, 12.5484218597412, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.45943164825439, 0.0, 0.0, 0.0, 34.1100006103516, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.999000012874603, , 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0
InChI%3D1S%2FC4H6%2Fc1-3-4-2%2Fh3-4H%2C1-2H2, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 10.0, 14.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.56891417503357, 0.0, 1.14982986450195, 0.0, , 0.0, 0.0, 0.0, 0.471404522657394, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.16666667163372, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 3.0, 0.0, 0.0, 10.0, 0.333333343267441, 119.528099060059, 0.0, 0.0, 2.0, 2.82842707633972, 94.1822280883789, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 58.7082901000977, 0.0, 3.0, 1.0, 24.290111541748, 0.0, 69.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 3.41421365737915, 0.0, 0.0, 0.333333343267441, 1.91421353816986, 2.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC17H23N3O.C4H4O4%2Fc1-19%282%2912-13-20%2817-6-4-5-11-18-17%2914-15-7-9-16%2821-3%2910-8-15%3B5-3%286%291-2-4%287%298%2Fh4-11H%2C12-14H2%2C1-3H3%3B1-2H%2C%28H%2C5%2C6%29%28H%2C7%2C8%29%2Fb%3B2-1-, 0.0, 2.68653392791748 2.68653392791748, 2.60735750198364, 0.111580349504948, 3.0, 1.0, 0.0, 3.12046360969543 3.12046360969543, 1.81965374946594, 0.115418702363968, 0.0, 0.0, 4.31120729446411 4.31120729446411, -0.377671808004379, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 130.0, -2129542144.0, 1.01768577098846 1.01768577098846, 0.0, 1.62865054607391, 0.0, 0.0, 1.04790234565735 1.04790234565735, 0.0, 3.99999988687227e-09, 0.0, 27.0344829559326, 0.0, 0.0, 1.19350147247314 1.19350147247314, 0.333333343267441, 15.75, 0.0, 0.0, 0.0, 0.0, 13.1080331802368, 0.185395404696465, 0.0, 2.0, 0.0, 0.176776692271233, 16.8556365966797, 0.0526229776442051, 8.8906364440918, 0.0420931950211525, , 2.39358305407222e-05, 0.777067959308624, 0.0, 6.27065086364746, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.69138216972351, 0.0, 0.0288675129413605, 0.0, 2.23002934455872, 3.0, 0.0, 0.0, 1.55795645713806, 0.0, 0.0, 0.0, 0.0, 0.818955838680267, 0.0, 103.199996948242, 0.0, 0.490683525800705, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 33.9523086547852, 1.0, 0.0, 32.3220329284668, 0.0, 0.0, 167999995904.0, 0.481411129236221, 1497.18139648438, 2.0, 0.0, 40.8985900878906, 0.357381880283356, 1639.26733398438, 0.0, 0.0, 35.5158348083496, 0.0, 0.0, 0.0, 0.0, 0.00133363425265998, 2045.93933105469, 31.1561279296875, 5.85798120498657, 32.0, 1951.41589355469, 0.0, 2324.080078125, 0.0, 1717.78381347656, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 5.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.63245552778244, 8.0, 0.0, 21.6480541229248, 0.0, 0.0, 0.999000012874603, 13.8117694854736, 2.0, 0.0, 0.0, 1.96632647514343, 0.0, 12.0251131057739, 0.0, 0.0, 0.0, 0.0, 7.9324312210083, 0.0833333358168602, 0.0048519573174417, 1.0, 0.0, 5.66923809051514, 8.0, 0.0, 0.81293249130249, 0.0, 0.0, 0.0, 2.0, -0.477737367153168, 2.0, 4.82743167877197, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H6ClN.ClH%2Fc7-5-1-3-6%288%294-2-5%3B%2Fh1-4H%2C8H2%3B1H, 0.0, 0.816496610641479 0.816496610641479, 0.333333343267441, -0.00337254512123764, 0.0, 0.0, 1.0, 0.760079681873322 0.760079681873322, 0.0, -0.00221526832319796, 0.0, 0.0, 1.13807117938995 1.13807117938995, -0.0298122633248568, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 36.0, -1179869184.0, 0.329329013824463 0.329329013824463, 0.0, 0.0, 0.0, 0.0, 0.259733587503433 0.259733587503433, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.316126346588135 0.316126346588135, 0.0, 3.92000007629395, 0.0, 0.0, 0.0, 0.0, 2.88000011444092, 0.0833333358168602, 0.0, 0.0, 0.0, 0.16666667163372, 6.24538946151733, 0.0277777779847383, 2.67698907852173, 0.0475345477461815, , 0.333333343267441, 0.285207271575928, 1.0, 1.98798704147339, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.12198138237, 0.0, 0.0, 0.0, 0.588768482208252, 0.0, 0.0, 0.0, 0.440440118312836, 0.0, 0.0, 0.0, 0.0, 0.095069095492363, 0.0, 26.0200004577637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 24.7854957580566, 0.0, 0.0, 10.1179227828979, 0.0, 0.0, 8000000000.0, 0.0, 418.829345703125, 0.0, 0.0, 14.2358455657959, 0.0, 436.046875, 0.0, 0.0, 11.2358455657959, 0.0, 0.0, 0.0, 0.0, 0.0, 513.993774414062, 4.11792278289795, 4.16992521286011, 7.0, 341.955291748047, 0.0, 153.029998779297, 0.0, 91.2741775512695, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 5.98312759399414, 0.0, 0.0, 0.999000012874603, 3.78769373893738, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 3.3650438785553, 0.0, 0.0, 3.30192732810974, 0.0, 2.30453038215637, 0.0, 5.65685415267944, 0.0, 0.0, 1.4267463684082, 4.0, 0.0, 0.0672009140253067, 0.0, 0.0, 0.0, 0.0, -0.0198609493672848, 0.0, 1.30473780632019, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H2Cl6O2%2Fc13-3-1-5-11%289%2817%297%283%2915%2920-12-6%2819-5%292-4%2814%298%2816%2910%2812%2918%2Fh1-2H, 0.0, 5.16582155227661 5.16582155227661, 4.12118673324585, -0.370210379362106, 0.0, 2.0, 6.0, 7.64238405227661 7.64238405227661, 2.85585498809814, -0.0589249841868877, 0.0, 0.0, 11.5270481109619 11.5270481109619, 0.198682993650436, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 112.0, 310.0, 2.91063833236694 2.91063833236694, 0.0, 0.0, 0.0, 0.0, 3.44672656059265 3.44672656059265, 0.0, 0.0, 0.0, 14.9173555374146, 0.0, 0.0, 4.12912511825562 4.12912511825562, 0.0, 5.32525968551636, 0.0, 0.0, 0.0, 0.0, 2.390625, 0.146277397871017, 0.0, 0.0, 0.0, 0.543183028697968, 13.7745580673218, 0.0465010590851307, 7.37287759780884, 0.174655139446259, , 16.1404895782471, 1.11418676376343, 0.0, 6.15761137008667, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.08026361465454, 0.0, 0.428211182355881, 0.0, 2.90739631652832, 0.0, 0.0, 0.0, 1.80383014678955, 0.0, 0.0, 0.0, 0.0, 1.22631657123566, 0.0, 18.4599990844727, 0.0, 0.691713631153107, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 67.8254623413086, 0.0, 0.0, 35.0387916564941, 0.333333343267441, 0.0, 731.0, 0.0, 1744.10595703125, 0.0, 0.0, 60.0775833129883, 0.0, 2100.20727539062, 0.0, 0.0, 102.567039489746, 0.0, 0.0, 0.0, 0.0, 0.0, 3110.50439453125, 79.9596862792969, 5.32192802429199, 39.0, 3299.17651367188, 0.0, 196.080001831055, 0.0, 2496.4130859375, 10.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0, 0.0, 14.6019296646118, 0.0, 0.0, 0.444444447755814, 9.39675426483154, 0.0, 0.0, 0.0, 1.84670376777649, 0.0, 9.18171215057373, 0.0, 0.0, 0.25, 0.0, 8.51441478729248, 0.787605345249176, 7.37198781967163, 0.0, 0.0, 6.46818923950195, 2.0, 0.0, 0.644108355045319, 0.0, 0.0, 0.0, 0.0, -0.134348317980766, 0.0, 5.23940563201904, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H14O2%2Fc1-4-5-10-8%289%296-7%282%293%2Fh4%2C7H%2C1%2C5-6H2%2C2-3H3, 0.0, 0.606493055820465 0.606493055820465, 0.25, 0.0732554718852043, 2.0, 1.0, 0.0, 0.997890949249268 0.997890949249268, 0.16666667163372, -0.0329196527600288, 0.0, 0.0, 0.747890949249268 0.747890949249268, -0.000557592196855694, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 38.0, 96.0, 0.279811501502991 0.279811501502991, 0.0, 0.0, 0.0, 0.0, 0.282820582389832 0.282820582389832, 0.0, 0.5, 0.0, 10.0, 0.0, 0.0, 0.171958014369011 0.171958014369011, 0.0, 5.76000022888184, 0.0, 0.0, 0.0, 0.0, 7.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.59251737594604, 0.0, 3.42992234230042, 0.0, , 0.5, 0.467173844575882, 0.0, 2.5696587562561, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.937087059020996, 0.0, 0.0, 0.0, 0.544130742549896, 2.0, 0.0, 0.0, 0.217594742774963, 0.0, 0.0, 0.0, 1.0, 0.0920976400375366, 0.0, 26.2999992370605, 0.0, 0.0481125228106976, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.5489377975464, 1.0, 0.0, 9.99627590179443, 0.0, 0.0, 142.0, 0.650697648525238, 383.222290039062, 1.0, 0.0, 11.7707452774048, 2.80534768104553, 372.921264648438, 0.0, 0.0, 9.32836818695068, 0.0, 0.0, 0.0, 0.0, 2.44948983192444, 387.230529785156, 9.66045951843262, 4.32192802429199, 8.0, 304.986999511719, 0.0, 439.019989013672, 0.0, 274.275939941406, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, 7.98312759399414, 0.0, 0.0, 0.428571432828903, 4.66390228271484, 1.0, 0.0, 0.0, 0.696923434734344, 0.0, 3.87694931030273, 1.0, 0.0, 1.31037068367004, 0.0, 1.9242502450943, 0.0, 2.70160007476807, 0.0, 0.0, 1.47517478466034, 0.0, 0.0, 0.273057341575623, 0.0, 0.0, 0.0, 1.0, -0.176942571997643, 0.0, 0.667497277259827, 0.0, 0.0, 0.0
InChI%3D1S%2FCH4N2O2%2Fc1-2-3%284%295%2Fh2H%2C1H3, 0.0, 0.40824830532074 0.40824830532074, 0.0, 0.0397559367120266, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, -0.0319621562957764, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 16.0, 19.0, 0.0372678004205227 0.0372678004205227, 0.0, 0.5, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.25, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.76371026039124, 0.0, 1.08875513076782, 0.0, , 0.0, 0.0372678004205227, 0.0, 0.480716586112976, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.182574182748795, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 57.8499984741211, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.26891422271729, 0.0, 0.0, 5.63310527801514, 0.0, 0.0, 18.0, 0.0, 71.3105773925781, 0.0, 0.0, 6.04758644104004, 0.0, 60.9188652038574, 0.0, 0.0, 2.66418385505676, 0.0, 0.0, 0.0, 0.0, 0.0, 50.5991897583008, 0.0, 3.32192802429199, 2.0, 23.6280612945557, 0.0, 44.0400009155273, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 4.28445720672607, 0.0, 0.0, 0.333333343267441, 2.27005553245544, 0.0, 1.0, 0.0, 0.40824830532074, 0.0, 1.80209517478943, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0625880137085915, 0.0, 0.0, 0.0, 2.0, -0.0390877835452557, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2F2C2H4O2.4H2O.3Pb%2Fc2%2A1-2%283%294%3B%3B%3B%3B%3B%3B%3B%2Fh2%2A1H3%2C%28H%2C3%2C4%29%3B4%2A1H2%3B%3B%3B%2Fq%3B%3B%3B%3B%3B%3B3%2A%2B2%2Fp-6, 0.0, 0.0 0.0, 0.0, -0.00454985210672021, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 24.0, -884901888.0, 0.0 0.0, 0.0, 4.76220293421648e-06, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 81.6666641235352, 0.0, 0.0, 0.0 0.0, 0.0, 65.7222213745117, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 22.6712036132812, 0.0, 1.40824830532074, 0.0, , 9.99999971718069e-10, 0.0, 0.0, 0.40824830532074, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 80.2600021362305, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 911.156555175781, 0.0, 0.0, 7.32836771011353, 0.0, 0.0, 92999999488.0, 9.99999971718069e-10, 110.786163330078, 2.0, 0.0, 8.87730598449707, 0.0, 85.1973114013672, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.000126491111586802, 69.3822021484375, 0.0, 4.90689039230347, 0.0, 0.0, 0.0, 46.1100006103516, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.154700756073, 0.0, 0.0, 0.999000012874603, 3.46410155296326, 0.0, 0.0, 0.0, 1.15470051765442, 0.0, 3.46410155296326, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.542050421237946, 0.0, 0.0, 0.0, 2.0, -0.26647537946701, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H8O%2Fc1-2-4-7%285-3-1%298-6-9-8%2Fh1-5%2C8H%2C6H2, 0.0, 0.70710676908493 0.70710676908493, 0.589255630970001, -0.0046101943589747, 1.0, 1.0, 0.0, 0.916666686534882 0.916666686534882, 0.333333343267441, -0.000872706063091755, 0.0, 0.0, 0.942809045314789 0.942809045314789, -2.8990589271416e-05, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 46.0, 79.0, 0.314661234617233 0.314661234617233, 0.0, 0.0, 0.0, 0.288675129413605, 0.331264495849609 0.331264495849609, 0.16666667163372, 0.0, 0.0, 5.76000022888184, 0.16666667163372, 0.0, 0.273924201726913 0.273924201726913, 0.0, 2.31952667236328, 0.0, 0.0, 0.0, 0.0833333358168602, 1.27999997138977, 0.268728733062744, 0.0, 0.0, 0.0, 0.294627815485001, 5.07945680618286, 0.087630569934845, 3.13198447227478, 0.0826685503125191, , 1.0, 0.179558381438255, 0.0, 2.23265886306763, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.3380241394043, 0.0, 0.0277777779847383, 0.0, 0.860139191150665, 0.0, 0.0, 0.0, 0.491639584302902, 0.0, 0.0, 0.0, 0.0, 0.172737121582031, 0.0, 12.5299997329712, 0.0, 0.0783464834094048, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.77446937561035, 1.0, 0.0, 10.6641836166382, 0.0, 0.0, 87.0, 0.0, 410.767578125, 0.0, 0.0, 10.3320922851562, 0.0, 464.388854980469, 0.0, 0.0, 9.66418361663818, 0.0, 0.0, 0.0, 0.0, 0.0, 490.266815185547, 5.66418409347534, 4.16992521286011, 9.0, 399.434936523438, 0.0, 252.009994506836, 0.0, 189.687911987305, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 6.10444784164429, 0.0, 0.0, 0.400000005960464, 4.46632671356201, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 3.73552012443542, 1.0, 0.0, 6.94562911987305, 0.0, 2.64982986450195, 0.0833333358168602, 6.08555364608765, 0.0, 0.0, 2.07697582244873, 5.0, 0.0, 0.174522250890732, 0.0, 0.0, 0.0, 0.0, -0.081748865544796, 0.0, 1.44570577144623, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H19NO3%2Fc1-12%282%2C3%2913-7-11%2816%298-4-9%2814%296-10%2815%295-8%2Fh4-6%2C11%2C13-16H%2C7H2%2C1-3H3, 0.0, 2.393634557724 2.393634557724, 1.40165019035339, -0.0632759258151054, 1.0, 0.0, 0.0, 3.18009090423584 3.18009090423584, 0.699635088443756, 0.0296386796981096, 0.0, 0.0, 4.27657032012939 4.27657032012939, -0.0795995742082596, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 78.0, 204.0, 1.03775370121002 1.03775370121002, 0.0, 0.646330416202545, 0.0, 0.0, 1.07863473892212 1.07863473892212, 0.0, 0.0, 0.0, 14.0625, 0.0, 0.0, 1.0631959438324 1.0631959438324, 0.0, 5.55765581130981, 0.0, 0.0, 0.0, 0.0, 5.26446294784546, 0.0680413842201233, 0.0, 3.0, 0.0, 0.175366476178169, 9.8581485748291, 0.0240562614053488, 5.23794031143188, 0.0354054644703865, , 2.94168281555176, 1.58658337593079, 0.0, 4.92944240570068, 0.0, 0.877382695674896, 0.0, 0.25, 0.0, 0.0, 2.13538026809692, 0.0, 0.0304290316998959, 0.0, 1.3311356306076, 3.0, 0.0, 0.0, 0.871973037719727, 0.0, 0.0, 0.0, 0.0, 0.422810584306717, 0.0, 72.7200012207031, 0.0, 0.192486673593521, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.6833953857422, 2.0, 0.0, 17.3286457061768, 0.0, 0.0, 468.0, 1.5, 876.05859375, 0.0, 0.0, 25.6572933197021, 2.21336388587952, 968.876831054688, 1.0, 0.0, 21.7122039794922, 0.0, 0.0, 0.0, 0.0, 2.14474034309387, 1268.1484375, 20.4314842224121, 5.0, 19.0, 1073.10681152344, 0.0, 985.039978027344, 3.0, 902.403442382812, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 12.3449354171753, 0.0, 0.0, 0.5, 7.27667570114136, 0.0, 1.0, 0.0, 2.54037928581238, 0.0, 7.75414896011353, 1.0, 0.353553384542465, 2.24957680702209, 0.0, 4.36939191818237, 0.117851130664349, 8.81719398498535, 0.0, 0.0, 3.37021446228027, 3.0, 0.0, 0.301530867815018, 0.0, 0.924789667129517, 0.0, 0.0, -0.0819387659430504, 0.0, 2.63435459136963, 0.0, 0.0, 0.0
InChI%3D1S%2FC13H11NO5%2Fc1-2-14-5-8%2813%2816%2917%2912%2815%297-3-10-11%284-9%287%2914%2919-6-18-10%2Fh3-5H%2C2%2C6H2%2C1H3%2C%28H%2C16%2C17%29, 0.0, 3.77826809883118 3.77826809883118, 3.9440438747406, 0.064703606069088, 3.0, 2.0, 0.0, 6.12174844741821 6.12174844741821, 2.76206827163696, -0.353391855955124, 0.0, 0.0, 8.81991004943848 8.81991004943848, 0.376757025718689, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 104.0, 256.0, 1.35336184501648 1.35336184501648, 0.0, 0.944940805435181, 0.0, 0.0, 1.85652232170105 1.85652232170105, 0.0, 0.889682471752167, 0.0, 13.9591836929321, 0.0, 0.0, 2.29266738891602 2.29266738891602, 0.0, 5.41311120986938, 0.117851130664349, 0.0, 0.0, 0.0, 2.38016533851624, 0.267583131790161, 0.0294627826660872, 1.0, 0.0, 0.465643167495728, 10.3807916641235, 0.0776757970452309, 6.07092189788818, 0.126792818307877, , 8.85754203796387, 0.580065310001373, 0.0, 4.51632928848267, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.49631857872009, 0.0, 0.12127523124218, 0.0, 2.46926474571228, 1.0, 0.0, 0.0, 1.73282647132874, 0.0, 0.0, 0.0, 0.0, 1.08592689037323, 0.0, 76.0699996948242, 0.0, 0.633212924003601, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.2323341369629, 2.0, 0.0, 23.8232002258301, 0.5, 0.0, 629.0, 0.0, 1177.12780761719, 2.0, 0.0, 35.8704147338867, 1.4938952922821, 1429.06811523438, 0.0, 0.0, 37.649845123291, 0.0, 0.0, 0.0, 0.0, 1.56385934352875, 2112.5, 36.2536315917969, 5.24792766571045, 33.0, 2172.67553710938, 0.0, 814.059997558594, 0.0, 1775.14074707031, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 5.0, 0.0, 13.568549156189, 0.0, 0.0, 0.5, 9.1133918762207, 0.0, 0.0, 0.0, 1.43403172492981, 0.0, 8.4211950302124, 1.0, 0.0, 2.85294985771179, 0.0, 7.42805814743042, 0.500147879123688, 13.104603767395, 0.0, 0.0, 6.33482837677002, 2.0, 0.0, 0.772533893585205, 0.0, 0.0, 0.0, 2.0, -0.373258113861084, 1.0, 5.03627824783325, 0.0, 0.0, 0.0
InChI%3D1S%2FC31H22N6O9S.Cu.2Na%2Fc38-26-12-9-21%2815-23%2826%2931%2842%2943%2934-32-19-5-1-17%282-6-19%2918-3-7-20%288-4-18%2933-37-29-28%2840%2914-11-24%2830%2829%2941%2935-36-25-16-22%2847%2844%2C45%2946%2910-13-27%2825%2939%3B%3B%3B%2Fh1-16%2C38-41H%2C%28H%2C42%2C43%29%28H%2C44%2C45%2C46%29%3B%3B%3B%2Fq%3B%2B2%3B2%2A%2B1%2Fp-4%2Fb34-32%3F%2C36-35%2B%2C37-33%3F%3B%3B%3B, 0.0, 8.56826972961426 8.56826972961426, 7.63243865966797, -0.393276244401932, 0.0, 0.0, 0.0, 11.5266551971436 11.5266551971436, 5.07635974884033, -0.306741505861282, 0.0, 0.0, 14.7730751037598 14.7730751037598, 0.0685057640075684, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 248.0, -1079215232.0, 1.81260919570923 1.81260919570923, 0.0, 3.23344850540161, 1.0, 0.0, 1.91667902469635 1.91667902469635, 0.0, 0.0, 0.0, 46.1553230285645, 0.0, 0.0, 1.90718078613281 1.90718078613281, 0.0, 21.1852130889893, 0.0, 0.0, 0.0, 0.0, 12.7939510345459, 0.358304977416992, 0.0, 2.0, 0.0, 0.709366917610168, 22.4071674346924, 0.124501414597034, 13.1781883239746, 0.125661000609398, , 14.209677696228, 1.13280689716339, 0.0, 9.47953987121582, 0.0, 0.0, 0.0, 0.0323152802884579, 0.0, 0.0, 6.13625526428223, 0.0, 0.11781095713377, 0.0, 3.85620427131653, 0.0, 0.0107717597857118, 0.0, 2.53239274024963, 0.0, 0.0, 0.0, 0.0, 1.23873221874237, 0.0, 266.450012207031, 0.0, 0.714562237262726, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 97.5773696899414, 3.0, 0.0, 64.4086074829102, 0.0, 0.0, 144000008192.0, 0.0, 2969.49609375, 1.0, 0.0, 86.745979309082, 0.0, 3451.1328125, 0.0, 0.0, 92.8516311645508, 0.0, 0.0, 0.0, 0.0, 0.0, 4767.966796875, 82.4873123168945, 6.64385604858398, 77.0, 4799.79443359375, 0.0, 2311.18994140625, 0.0, 4028.21948242188, 14.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 2.57638120651245, 0.0, 0.0, 0.0, 27.0, 0.0, 33.7166023254395, 0.0, 0.0, 0.999000012874603, 22.384069442749, 0.0, 0.0, 0.0, 4.29445791244507, 6.0, 21.3089447021484, 0.0, 0.288675129413605, 17.1281108856201, 0.0, 17.2019500732422, 1.13752245903015, 35.7742462158203, 0.0, 0.0, 13.2441759109497, 16.0, 0.0, 1.41227912902832, 0.144337564706802, 0.0, 0.0, 3.0, -0.246600240468979, 0.0, 10.664192199707, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H13N3O2%2Fc1-2-3-4-5-9%288-11%296%287%2910%2Fh2-5H2%2C1H3%2C%28H2%2C7%2C10%29, , 1.08925569057465 1.08925569057465, 0.45412415266037, 0.0917155593633652, 4.0, 0.0, 0.0, 1.17258894443512 1.17258894443512, 0.268728733062744, -0.0830141082406044, , 0.0, 0.71129447221756 0.71129447221756, 0.0257975794374943, , 0.0, 0.75, 0.0, 0.0, 0.0, 42.0, 111.0, 0.203561648726463 0.203561648726463, 0.0, 0.25, 0.0, 0.0, 0.164600849151611 0.164600849151611, 0.0, 0.0, 0.0, 11.0, 0.0, 0.0, 0.10823579877615 0.10823579877615, 0.0, 6.69421482086182, 0.0, 0.0, 0.0, 0.0, 5.28925609588623, 0.0, 0.0, 1.0, 0.0, 0.0, 6.57831621170044, 0.0, 3.60312223434448, 0.0, , 0.0, 0.120710678398609, 0.0, 2.23550534248352, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.31651949882507, 0.0, 0.0158113874495029, , 0.696967363357544, 1.0, 0.0, 0.0, 0.321456432342529, 0.0, , , 0.0, 0.179264962673187, 0.0, 76.75, 0.0, 0.0733632668852806, , 0.333333343267441, 0.0, 0.0, 0.0, 0.5, 13.6289024353027, 0.0, 0.0, 11.744101524353, 0.0, , 182.0, 0.0, 410.783996582031, 1.0, 0.0, 13.5189418792725, 1.80720400810242, 410.78466796875, 0.0, 0.0, 13.4082860946655, 0.0, 0.0, 0.0, , 0.16666667163372, 433.722747802734, 11.4906749725342, 4.45943164825439, 11.0, 392.755645751953, 0.0, 419.049987792969, 0.0, 295.199462890625, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, , , 2.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 3.0, 0.0, 8.69023418426514, , , 0.428571432828903, 5.21874380111694, 0.0, 0.0, 0.0, 0.5, 1.0, 3.90812683105469, 0.0, 0.0, 3.96540641784668, 0.0, 2.64565467834473, 0.16666667163372, 1.20855021476746, 0.0, 0.0, 1.66538822650909, 0.0, 0.0, 0.157817542552948, 0.0, 0.0, 0.0, 1.0, -0.112798593938351, 1.0, 0.709772825241089, 0.0, 0.0, 0.0
InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298, 0.0, 4.5 4.5, 0.0, -0.146240457892418, 0.0, 0.0, 6.0, 1.5 1.5, 0.0, 0.109680347144604, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 38.0, 34.0, 6.56038331985474 6.56038331985474, 0.0, 0.0, 0.0, 0.0, 2.47959184646606 2.47959184646606, 0.0, 0.0, 0.0, 8.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.75, 0.0, 0.0, 0.0, 0.0, 2.22222232818604, 0.0, 0.0, 0.0, 0.0, 0.0, 7.80336046218872, 0.0, 3.65168023109436, 0.0, , 0.0, 3.38643431663513, 0.0, 5.55798292160034, 0.0, 0.0, 0.0, 0.728931486606598, 0.0, 0.0, 2.89285707473755, 0.0, 3.7193877696991, 0.0, 0.0, 0.0, 2.81159281730652, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 54.2765197753906, 0.0, 0.0, 18.7104244232178, 0.0, 0.0, 58.0, 0.0, 708.911071777344, 0.0, 0.0, 69.986946105957, 0.0, 771.783020019531, 2.0, 0.0, 78.4147796630859, 0.0, 0.0, 0.0, 0.0, 0.0, 998.993408203125, 0.0, 4.0, 9.0, 581.665893554688, 0.0, 7.05999994277954, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.0, 0.0, 0.0, 0.333333343267441, 3.25, 0.0, 0.0, 0.0, 2.5, 0.0, 4.5, 0.0, 0.5, 0.0, 0.0, 2.25, 2.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.292480915784836, 1.5, 0.0, 0.0, 0.0, -0.109680347144604, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H3N3O5%2Fc10-6-8-7-5%2814-6%293-1-2-4%2813-3%299%2811%2912%2Fh1-2H%2C%28H%2C8%2C10%29, 0.0, 2.28916168212891 2.28916168212891, 1.74958980083466, -0.0262072198092937, 0.0, 0.0, 0.0, 2.90863704681396 2.90863704681396, 0.952015101909637, 0.301262348890305, 0.0, 0.0, 3.23302745819092 3.23302745819092, -0.287125289440155, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 72.0, 181.0, 0.377327859401703 0.377327859401703, 0.0, 0.595275402069092, 0.0, 0.0, 0.413099646568298 0.413099646568298, 0.0, 1.55976951122284, 0.0, 10.5155553817749, 0.0, 0.0, 0.327450573444366 0.327450573444366, 0.0, 4.24489784240723, 0.235702261328697, 0.0, 0.0, 0.0, 2.34319519996643, 0.321975260972977, 0.0544331036508083, 1.0, 0.0, 0.435857951641083, 6.57654809951782, 0.0515597760677338, 3.43675565719604, 0.0492051392793655, , 2.52506470680237, 0.235366374254227, 0.0, 2.28478240966797, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.39687383174896, 0.0, 0.0195423923432827, 0.0, 0.8557990193367, 0.0, 0.0, 0.0, 0.407811045646667, 0.0, 0.0, 0.0, 0.0, 0.208117932081223, 0.0, 118.110000610352, 0.0, 0.0853527933359146, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.9523086547852, 0.0, 0.0, 18.6259365081787, 0.333333343267441, 0.0, 310.0, 0.0, 509.767639160156, 0.0, 0.0, 27.4200954437256, 0.0, 593.039794921875, 0.0, 0.0, 21.4234485626221, 0.0, 0.0, 0.0, 0.0, 0.0, 812.725158691406, 17.874942779541, 4.80735492706299, 16.0, 582.422119140625, 0.0, 142.080001831055, 0.0, 493.169769287109, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.365148365497589, 3.0, 0.0, 10.1293916702271, 0.0, 0.0, 0.5, 6.66470384597778, 0.0, 0.0, 0.0, 1.12200844287872, 0.0, 6.25553274154663, 0.0, 0.0, 1.0, 0.0, 4.85859775543213, 0.25, 3.69772696495056, 2.0, 0.0, 3.76564860343933, 2.0, 0.0, 0.577701210975647, 0.0, 0.0, 2.0, 2.0, -0.360834300518036, 0.0, 2.46063017845154, 0.0, 0.0, 0.0
InChI%3D1S%2FC15H13NO2%2Fc1-10%2817%2916%2818%2913-6-7-15-12%289-13%298-11-4-2-3-5-14%2811%2915%2Fh2-7%2C9%2C18H%2C8H2%2C1H3, 0.0, 3.42143082618713 3.42143082618713, 3.27479839324951, -0.0283921509981155, 1.0, 0.0, 0.0, 5.02519607543945 5.02519607543945, 2.62443423271179, 0.00774731859564781, 0.0, 0.0, 6.83550786972046 6.83550786972046, -0.00665904162451625, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 98.0, 276.0, 1.22168064117432 1.22168064117432, 0.0, 0.333333343267441, 0.0, 0.0, 1.7175041437149 1.7175041437149, 0.0, 0.0, 0.0, 13.0050001144409, 0.0, 0.0, 1.9637246131897 1.9637246131897, 0.0, 5.17479181289673, 0.0785674229264259, 0.0, 0.0, 0.0, 2.40000009536743, 0.37359693646431, 0.0441941730678082, 1.0, 0.0, 0.619346439838409, 10.0512342453003, 0.153896108269691, 5.87382888793945, 0.218667790293694, , 5.9316611289978, 0.564284384250641, 0.0, 4.50619506835938, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.32010507583618, 0.0, 0.116837978363037, 0.0, 2.44508051872253, 1.0, 0.0, 0.0, 1.68647444248199, 0.0, 0.0, 0.0, 0.0, 1.01064896583557, 0.0, 40.5400009155273, 0.0, 0.663553297519684, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.9089260101318, 4.0, 0.0, 21.2179279327393, 0.0, 0.0, 590.0, 0.0, 1214.70654296875, 1.0, 0.0, 31.0482978820801, 1.26940941810608, 1457.87768554688, 0.0, 0.0, 31.4352073669434, 0.0, 0.0, 0.0, 0.0, 1.4816472530365, 2120.61108398438, 24.660737991333, 5.16992521286011, 29.0, 1998.58044433594, 0.0, 783.030029296875, 0.0, 1520.55810546875, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.0, 0.0, 12.6983060836792, 0.0, 0.0, 0.444444447755814, 8.66470336914062, 0.0, 0.0, 0.0, 1.29794895648956, 0.0, 8.04429340362549, 0.0, 0.0, 9.72837352752686, 0.0, 7.00023889541626, 0.480313450098038, 17.9952964782715, 0.0, 0.0, 5.66181039810181, 7.0, 0.0, 0.171228691935539, 0.0, 0.0, 0.0, 1.0, -0.0577469021081924, 1.0, 4.6181435585022, 0.0, 0.0, 0.0
InChI%3D1S%2FC15H18N2%2Fc1-10-7-12%283-5-14%2810%2916%299-13-4-6-15%2817%2911%282%298-13%2Fh3-8H%2C9%2C16-17H2%2C1-2H3, 0.0, 2.9750542640686 2.9750542640686, 2.09337735176086, -0.00833735801279545, 1.0, 0.0, 0.0, 3.38035488128662 3.38035488128662, 1.29687428474426, -0.00103145034518093, 0.0, 0.0, 4.61595249176025 4.61595249176025, -5.14632938575232e-06, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 86.0, 274.0, 1.20857262611389 1.20857262611389, 0.0, 0.0, 0.0, 0.0, 1.27220189571381 1.27220189571381, 0.0, 0.0, 0.0, 13.4320983886719, 0.0, 0.0, 1.43869602680206 1.43869602680206, 0.0, 5.76000022888184, 0.0, 0.0, 0.0, 0.0, 3.48444437980652, 0.136082768440247, 0.0, 0.0, 0.0, 0.368390560150146, 10.3259086608887, 0.0481125228106976, 5.76052474975586, 0.109910994768143, , 4.50854015350342, 0.6910440325737, 2.0, 4.5586576461792, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.07667112350464, 0.0, 0.0962250456213951, 0.0, 1.9312196969986, 2.0, 0.0, 0.0, 1.28267228603363, 0.0, 0.0, 0.0, 0.0, 0.714368581771851, 0.0, 52.0400009155273, 0.100000001490116, 0.364484459161758, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.7199764251709, 4.0, 0.0, 18.3323707580566, 0.0, 0.0, 552.0, 0.125, 1123.56884765625, 0.0, 0.0, 25.6647415161133, 3.31046652793884, 1271.74096679688, 0.0, 0.0, 24.9971122741699, 0.0, 0.0, 0.0, 0.0, 3.48040437698364, 1699.71752929688, 16.3323707580566, 5.08746290206909, 24.0, 1572.37121582031, 0.0, 1024.02001953125, 0.0, 1096.75024414062, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.0, 0.0, 12.4138488769531, 0.0, 0.0, 0.5, 8.05855083465576, 0.0, 0.0, 0.0, 1.35105729103088, 0.0, 7.5029935836792, 0.0, 0.0, 7.25204372406006, 0.0, 6.08022594451904, 0.333333343267441, 15.8385400772095, 0.0, 0.0, 4.21766519546509, 6.0, 0.0, 0.0538342781364918, 0.0, 0.0, 0.0, 0.0, -0.0175249427556992, 0.0, 3.41826200485229, 0.0, 0.0, 0.0
InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H, 0.0, 0.0 0.0, 0.0, 0.000525138864759356, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.00270005012862384, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 24.0, 36.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.16666650772095, 0.0, 0.0, 0.0 0.0, 0.0, 2.22222232818604, 0.0, 0.0, 0.0, 0.0, 1.33333337306976, 0.125, 0.0, 0.0, 0.0, 0.0, 3.33396482467651, 0.0286887660622597, 1.84973108768463, 0.0, , 0.0, 0.0, 0.0, 1.02456390857697, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.566487431526184, 0.0, 0.0, 0.0, 0.312602013349533, 0.0, 0.0, 0.0, 0.172132596373558, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.8900003433228, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.35998821258545, 0.0, 0.0, 6.33237028121948, 0.0, 0.0, 27.0, 0.0, 214.527816772461, 0.0, 0.0, 6.33237028121948, 0.0, 214.456436157227, 0.0, 0.0, 3.16618514060974, 0.0, 0.0, 0.0, 0.0, 0.0, 214.338394165039, 0.0, 3.58496260643005, 3.0, 107.139686584473, 0.0, 91.0100021362305, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 4.24264049530029, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.12132024765015, 0.0, 0.0, 6.08364343643188, 0.0, 1.5, 0.0, 0.0, 1.0, 0.0, 1.06066012382507, 5.0, 0.0, 0.0639998093247414, 0.0, 0.0, 0.0, 0.0, -0.0352250933647156, 0.0, 0.75, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H14N2O3%2Fc1-5%289%293-8%287-11%294-6%282%2910%2Fh5-6%2C9-10H%2C3-4H2%2C1-2H3, , 0.9112309217453 0.9112309217453, 0.38490018248558, -0.0687946006655693, 2.0, 0.0, 0.0, 1.44181478023529 1.44181478023529, 0.0, 0.0711429193615913, , 0.0, 1.50505578517914 1.50505578517914, -0.0753641799092293, , 0.0, 1.0, 0.0, 0.0, 0.0, 44.0, 92.0, 0.319594204425812 0.319594204425812, 0.0, 0.56462162733078, 0.0, 0.0, 0.436083346605301 0.436083346605301, 0.0, 0.0, 0.0, 11.0, 0.0, 0.0, 0.312823891639709 0.312823891639709, 0.0, 5.625, 0.0, 0.0, 0.0, 0.0, 6.40000009536743, 0.0, 0.0, 2.0, 0.0, 0.0, 6.76601696014404, 0.0, 3.50262451171875, 0.0, , 0.25, 0.465148359537125, 0.0, 2.65129017829895, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.0654159784317, 0.0, 0.0, , 0.751200199127197, 2.0, 0.0, 0.0, 0.31221878528595, , , , 0.0, 0.156109392642975, 0.0, 73.129997253418, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 14.0433835983276, 0.0, , 11.910008430481, 0.0, , 172.0, 0.16666667163372, 407.586578369141, 0.0, 0.0, 14.5465745925903, 1.41421353816986, 416.618988037109, 0.0, 0.0, 12.4358568191528, 0.0, 0.0, 0.0, , 1.78885436058044, 466.690612792969, 13.7676706314087, 4.45943164825439, 10.0, 382.606018066406, 0.0, 466.049987792969, 0.0, 350.302978515625, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 2.0, 0.0, 8.85337162017822, , , 0.5, 5.05774927139282, 0.0, 0.0, 0.0, 1.0206207036972, 1.0, 4.533371925354, 2.0, 0.0, 0.5, , 2.18682599067688, 0.0, 2.30940103530884, 0.0, 0.0, 1.76289176940918, 0.0, 0.0, 0.231049239635468, 0.0, 0.0, 0.0, 1.0, -0.0617987066507339, 1.0, 1.05156683921814, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H14N2O4%2Fc1-5%2810%292-8%287-12%293-6%2811%294-9%2Fh5-6%2C9-11H%2C2-4H2%2C1H3, , 1.13087046146393 1.13087046146393, 0.514425337314606, -0.132113918662071, 3.0, 0.0, 0.0, 1.47633266448975 1.47633266448975, 0.136082768440247, 0.0700886100530624, , 0.0, 1.65812766551971 1.65812766551971, -0.015278541482985, , 0.0, 0.75, 0.0, 0.0, 0.0, 48.0, 118.0, 0.353414595127106 0.353414595127106, 0.0, 1.16253924369812, 0.0, 0.0, 0.417387902736664 0.417387902736664, 0.0, 0.0, 0.0, 12.0, 0.0, 0.0, 0.322527289390564 0.322527289390564, 0.0, 6.50887584686279, 0.0, 0.0, 0.0, 0.0, 6.25, 0.0, 0.0, 3.0, 0.0, 0.0, 6.92033720016479, 0.0, 3.64975047111511, 0.0, , 0.25, 0.41167363524437, 0.0, 2.63866662979126, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.22269034385681, 0.0, 0.0, , 0.74720823764801, 1.0, 0.0, 0.0, 0.347269415855408, , , , 0.0, 0.158626452088356, 0.0, 93.3600006103516, 0.0, 0.0341111533343792, , 0.0, 0.0, 0.0, , 0.0, 15.8178520202637, 0.0, 0.0, 13.2421007156372, 0.0, , 221.0, 0.0, 437.944854736328, 0.0, 0.0, 15.8786668777466, 0.825481832027435, 453.145538330078, 0.0, 0.0, 15.5424184799194, 0.0, 0.0, 0.0, , 0.894427180290222, 510.425018310547, 15.3211364746094, 4.58496236801147, 12.0, 444.114227294922, 0.0, 493.059997558594, 0.0, 394.878326416016, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 2.0, 0.0, 9.56047821044922, , , 0.428571432828903, 5.59575414657593, 0.0, 0.0, 0.0, 0.901047587394714, 1.0, 4.65294504165649, 2.0, 0.0, 1.19055080413818, , 2.81471371650696, 0.0, 3.18138217926025, 0.0, 0.0, 1.83192729949951, 0.0, 0.0, 0.335940986871719, 0.0, 0.0, 0.0, 1.0, -0.0735858529806137, 1.0, 1.21026992797852, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H10N2OS%2Fc1-2-3-5-4-6%2810%299-7%2811%298-5%2Fh4H%2C2-3H2%2C1H3%2C%28H2%2C8%2C9%2C10%2C11%29, 0.0, 1.04670643806458 1.04670643806458, 1.09929239749908, 0.12118112295866, 2.0, 0.0, 0.0, 2.01430463790894 2.01430463790894, 0.260491460561752, -0.107235543429852, 0.0, 0.0, 2.10376572608948 2.10376572608948, 0.0388003624975681, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 50.0, 103.0, 0.347735911607742 0.347735911607742, 0.0, 0.0, 0.0, 0.0, 0.562226474285126 0.562226474285126, 0.0, 0.0, 0.0, 9.09090900421143, 0.0, 0.0, 0.506179809570312 0.506179809570312, 0.0, 4.13265323638916, 0.0, 0.0, 0.0, 0.0, 2.84444451332092, 0.0680413842201233, 0.0, 1.0, 0.0, 0.184195280075073, 7.17484521865845, 0.0144337564706802, 3.92686486244202, 0.0360260978341103, , 1.5, 0.283186197280884, 0.0, 2.66748070716858, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.46000862121582, 0.0, 0.0, 0.0, 1.08458745479584, 1.0, 0.0, 0.0, 0.531938850879669, 0.0, 0.0, 0.0, 0.0, 0.323128581047058, 0.0, 84.8099975585938, 0.0, 0.0703119933605194, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.6221981048584, 0.0, 0.0, 13.666618347168, 0.0, 0.0, 158.0, 0.0, 619.254333496094, 0.0, 0.0, 19.9710292816162, 1.5, 667.478820800781, 0.0, 0.0, 16.5023097991943, 0.0, 0.0, 0.0, 0.0, 0.711378633975983, 820.014587402344, 17.113899230957, 4.45943164825439, 12.0, 698.275939941406, 1.0, 331.040008544922, 0.0, 487.068756103516, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 4.0, 0.0, 8.26758480072021, 0.0, 0.0, 0.5, 5.21954536437988, 0.0, 0.0, 0.0, 0.781474411487579, 0.0, 4.57215070724487, 0.0, 0.0, 1.65096366405487, 0.0, 2.9730658531189, 0.0, 4.24583578109741, 2.0, 0.0, 2.75758361816406, 1.0, 0.0, 0.214058935642242, 0.0, 0.0, 0.0, 0.0, -0.159165561199188, 0.0, 1.56730246543884, 0.0, 0.0, 0.0
InChI%3D1S%2FC21H30O3%2Fc1-13%2822%2924-15-8-10-20%282%2914%2812-15%294-5-16-17-6-7-19%2823%2921%2817%2C3%2911-9-18%2816%2920%2Fh4%2C15-18H%2C5-12H2%2C1-3H3%2Ft15-%2C16%3F%2C17-%2C18-%2C20%3F%2C21%3F%2Fm0%2Fs1, 0.0, 6.69865083694458 6.69865083694458, 5.38246870040894, -0.00281045073643327, 8.0, 1.0, 0.0, 11.0493059158325 11.0493059158325, 4.33130502700806, 0.00770367262884974, 0.0, 0.0, 15.3331117630005 15.3331117630005, -0.0109257949516177, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 140.0, 472.0, 5.0820951461792 5.0820951461792, 0.0, 0.0833333358168602, 0.0, 0.0, 8.40726089477539 8.40726089477539, 0.0, 0.447213590145111, 0.0, 17.4156379699707, 0.0, 0.0, 11.3521718978882 11.3521718978882, 0.0, 6.02055168151855, 0.0833333358168602, 2.0, 0.0, 0.0, 2.64412069320679, 0.428855359554291, 0.0721687823534012, 0.0, 0.0, 0.957115232944489, 15.2683506011963, 0.327493518590927, 9.74446964263916, 0.699958086013794, , 5.91708946228027, 2.00180125236511, 0.0, 9.15160655975342, 0.0, 5.27934312820435, 0.0, 0.20412415266037, 0.0, 0.0, 8.10033226013184, 0.0, 0.758997678756714, 0.0, 6.73385620117188, 3.0, 0.154462784528732, 0.0, 5.28741025924683, 0.0, 0.0, 0.0, 0.0, 3.90157699584961, 0.0, 43.3699989318848, 0.0, 2.88096141815186, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 26.3234062194824, 3.0, 0.0, 28.3283672332764, 0.0, 0.0, 1250.0, 0.388067483901978, 2061.10766601562, 3.0, 0.0, 45.7670211791992, 5.90816974639893, 2570.13842773438, 2.0, 0.0, 50.3246421813965, 0.0, 0.0, 0.0, 0.0, 4.98152256011963, 4063.06591796875, 41.9925537109375, 5.58496236801147, 48.0, 4335.7607421875, 0.0, 2697.03002929688, 1.77338373661041, 3458.48876953125, 0.0, 0.0, 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 9.0, 0.0, 17.1125202178955, 0.0, 0.0, 0.5, 11.3430080413818, 1.0, 0.0, 0.0, 2.71815133094788, 0.0, 11.4497766494751, 4.0, 0.235702261328697, 10.5026302337646, 0.0, 10.0531797409058, 1.08504247665405, 20.5622844696045, 0.0, 0.0, 8.49035167694092, 0.0, 0.0, 0.390694141387939, 0.23848395049572, 6.72457647323608, 0.0, 2.0, -0.18057207763195, 0.0, 6.93322563171387, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2%2Ft3-%2C4-%2C5-%2C6-%2Fm1%2Fs1, 0.0, 2.47916269302368 2.47916269302368, 0.268245965242386, -0.243061184883118, 2.0, 0.0, 0.0, 2.86081576347351 2.86081576347351, 0.0555555559694767, 0.00106764759402722, 0.0, 0.0, 3.16954231262207 3.16954231262207, 0.00247908150777221, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 50.0, 114.0, 1.00509333610535 1.00509333610535, 0.0, 1.66881787776947, 0.0, 0.0, 1.10625565052032 1.10625565052032, 0.0, 0.0, 0.0, 12.0, 0.0, 0.0, 1.08679091930389 1.08679091930389, 0.0, 5.61224508285522, 0.0, 0.0, 0.0, 0.0, 3.515625, 0.0, 0.0, 4.0, 0.0, 0.0, 9.44039058685303, 0.0, 5.6267523765564, 0.0, , 3.96540641784668, 0.382951110601425, 0.0, 3.71944761276245, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.78131771087646, 0.0, 0.0766553282737732, 0.0, 1.40377366542816, 0.0, 0.0, 0.0, 0.695703029632568, 0.0, 0.0, 0.0, 0.0, 0.35623100399971, 0.0, 80.9199981689453, 0.0, 0.214285716414452, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 101.614059448242, 0.0, 0.0, 23.6337184906006, 0.0, 0.0, 206.0, 0.0, 681.130615234375, 0.0, 0.0, 27.9620876312256, 0.0, 706.594787597656, 0.0, 0.0, 47.3452606201172, 0.0, 0.0, 0.0, 0.0, 0.0, 827.613708496094, 41.906608581543, 4.58496236801147, 16.0, 817.472778320312, 0.0, 397.059997558594, 0.0, 606.471252441406, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 9.72361469268799, 2.0, 0.0, 0.428571432828903, 5.54011106491089, 0.0, 0.0, 0.0, 0.856304705142975, 0.0, 4.48929786682129, 4.0, 0.0, 0.200000002980232, 0.0, 3.91238260269165, 0.383276641368866, 3.61440801620483, 0.0, 0.0, 1.7799928188324, 0.0, 0.0, 0.443036794662476, 0.0, 0.0, 0.0, 0.0, -0.026647724211216, 0.0, 0.753101885318756, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H19N3O%2Fc1-9%282%2915-12%2816%2911-6-4-10%285-7-11%298-14-13-3%2Fh4-7%2C9%2C13-14H%2C8H2%2C1-3H3%2C%28H%2C15%2C16%29, , 1.65835106372833 1.65835106372833, 1.56547617912292, -0.00441793631762266, 1.0, 0.0, 0.0, 2.33684420585632 2.33684420585632, 0.949337959289551, 3.39187172357924e-05, , 0.0, 2.66977548599243 2.66977548599243, 0.00385844125412405, , 0.0, 0.833333313465118, 0.0, 0.0, 0.0, 72.0, 258.0, 0.599646627902985 0.599646627902985, 0.0, 0.0, 0.0, 0.0, 0.650233328342438 0.650233328342438, 0.0, 0.0, 0.0, 14.0625, 0.0, 0.0, 0.666209399700165 0.666209399700165, 0.0, 7.34999990463257, 0.0, 0.0, 0.0, 0.0, 5.26446294784546, 0.0833333358168602, 0.0, 0.0, 0.0, 0.107038088142872, 10.0021066665649, 0.0277777779847383, 5.42597389221191, 0.0335307456552982, , 2.18224716186523, 0.540890634059906, 0.0, 3.92863917350769, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.10518312454224, 0.0, 0.0170103460550308, , 1.30994391441345, 3.0, 0.0, 0.0, 0.852125883102417, 0.0, , , 0.0, 0.436431765556335, 0.0, 53.1599998474121, 0.0, 0.211846768856049, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.8544330596924, 2.0, 0.0, 17.3568210601807, 0.0, , 511.0, 0.481411129236221, 874.340515136719, 1.0, 0.0, 21.8826694488525, 2.71033310890198, 946.996643066406, 0.0, 0.0, 20.8272018432617, 0.0, 0.0, 0.0, , 3.01495409011841, 1167.48107910156, 19.3254795074463, 5.0, 19.0, 1087.93786621094, 0.0, 985.039978027344, 0.0, 894.109619140625, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.0, 0.0, , , 3.0, 0.0, , 0.0, 0.784136950969696, 0.0, 0.0, 0.0, 5.0, 0.0, 11.9662551879883, , , 0.454545468091965, 7.63022899627686, 0.0, 3.0, 0.0, 1.01474142074585, 0.0, 6.52986717224121, 1.0, 0.0, 4.88359355926514, 0.0, 4.50526475906372, 0.117851130664349, 8.42557334899902, 0.0, 0.0, 3.4747622013092, 4.0, 0.0, 0.231188222765923, 0.0, 0.0, 0.0, 1.0, -0.102847494184971, 0.0, 2.44781398773193, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H18N2O%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh3-8H2%2C1-2H3, , 0.492799282073975 0.492799282073975, 0.564968049526215, 0.0289574041962624, 6.0, 0.0, 0.0, 0.594861328601837 0.594861328601837, 0.144337564706802, -0.0211941730231047, , 0.0, 0.55258584022522 0.55258584022522, -0.00434306636452675, , 0.0, 1.0, 0.0, 0.0, 0.0, 40.0, 116.0, 0.182246178388596 0.182246178388596, 0.0, 0.0, 0.0, 0.0, 0.207735031843185 0.207735031843185, 0.0, 0.0, 0.0, 11.0, 0.0, 0.0, 0.211535513401031 0.211535513401031, 0.0, 8.10000038146973, 0.0, 0.0, 0.0, 0.0, 6.40000009536743, 0.0, 0.0, 0.0, 0.0, 0.0, 7.54531621932983, 0.0, 4.42924308776855, 0.0, , 0.0, 0.100000001490116, 0.0, 2.74241948127747, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.65503239631653, 0.0, 0.0, , 0.874708950519562, 2.0, 0.0, 0.0, 0.580877065658569, , , , 0.0, 0.271750599145889, 0.0, 32.6699981689453, 0.0, 0.111803397536278, , 0.0, 0.0, 0.0, , 0.0, 12.4944448471069, 0.0, 0.0, 11.2458248138428, 0.0, , 188.0, 0.125, 451.663146972656, 0.0, 0.0, 11.218207359314, 3.65134453773499, 442.697601318359, 0.0, 0.0, 11.3289251327515, 0.0, 0.0, 0.0, , 0.0, 445.069641113281, 10.3289251327515, 4.45943164825439, 10.0, 412.456115722656, 0.0, 674.030029296875, 0.0, 345.194702148438, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 4.0, 0.0, 8.52709770202637, , , 0.5, 5.34606504440308, 0.0, 0.0, 0.0, 0.20412415266037, 1.0, 3.55873084068298, 0.0, 0.0, 6.12046384811401, , 2.509202003479, 0.0, 0.0, 0.0, 0.0, 1.53818440437317, 0.0, 0.0, 0.0583857148885727, 0.0, 0.0, 0.0, 1.0, -0.0322742648422718, 1.0, 1.07014954090118, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H19N3O.ClH%2Fc1-9%282%2915-12%2816%2911-6-4-10%285-7-11%298-14-13-3%3B%2Fh4-7%2C9%2C13-14H%2C8H2%2C1-3H3%2C%28H%2C15%2C16%29%3B1H, , 1.65835106372833 1.65835106372833, 1.56547617912292, -0.00441793631762266, 1.0, 0.0, 0.0, 2.33684420585632 2.33684420585632, 0.949337959289551, 3.39187172357924e-05, , 0.0, 2.66977548599243 2.66977548599243, 0.00385844125412405, , 0.0, 999.0009765625, 0.0, 0.0, 0.0, 72.0, 1935228928.0, 0.599646627902985 0.599646627902985, 0.0, 0.0, 0.0, 0.0, 0.650233328342438 0.650233328342438, 0.0, 0.0, 0.0, 17.0, 0.0, 0.0, 0.666209399700165 0.666209399700165, 0.0, 9.0, 0.0, 0.0, 0.0, 0.0, 6.47933864593506, 0.0833333358168602, 0.0, 0.0, 0.0, 0.107038088142872, 11.2268514633179, 0.0277777779847383, 5.42597389221191, 0.0335307456552982, , 2.18224716186523, 0.540890634059906, 0.0, 3.92863917350769, 0.0, 0.0, , 0.0, 0.0, 0.0, 2.10518312454224, 0.0, 0.0170103460550308, , 1.30994391441345, 3.0, 0.0, 0.0, 0.852125883102417, , , , 0.0, 0.436431765556335, 0.0, 53.1599998474121, 0.0, 0.211846768856049, , 0.0, 0.0, 0.0, , 0.0, 26.5671863555908, 2.0, 0.0, 17.3568210601807, 0.0, , 16000000000.0, 0.481411129236221, 881.793395996094, 1.0, 0.0, 21.8826694488525, 2.71033310890198, 946.996643066406, 0.0, 0.0, 20.8272018432617, 0.0, 0.0, 0.0, , 3.01495409011841, 1167.48107910156, 19.3254795074463, 5.08746290206909, 19.0, 1087.93786621094, 0.0, 1024.05004882812, 0.0, 894.109619140625, 2.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 1.0, 0.0, , , 3.0, 0.0, , , 0.784136950969696, 0.0, 0.0, 0.0, 5.0, 0.0, 11.9662551879883, , , 0.999000012874603, 7.63022899627686, 0.0, 3.0, 0.0, 1.01474142074585, 0.0, 6.52986717224121, 1.0, 0.0, 4.88359355926514, , 4.50526475906372, 0.117851130664349, 8.42557334899902, 0.0, 0.0, 3.4747622013092, 4.0, 0.0, 0.231188222765923, 0.0, 0.0, 0.0, 1.0, -0.102847494184971, 0.0, 2.44781398773193, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H6O2%2Fc1-3-2-4%285%296-3%2Fh3H%2C2H2%2C1H3, 0.0, 0.666666686534882 0.666666686534882, 0.0, 0.0391573421657085, 1.0, 1.0, 0.0, 0.666666686534882 0.666666686534882, 0.0, -0.0263363141566515, 0.0, 0.0, 0.0 0.0, -0.00891087669879198, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 28.0, 34.0, 0.234708055853844 0.234708055853844, 0.0, 0.0, 0.0, 0.0, 0.136082768440247 0.136082768440247, 0.0, 0.5, 0.0, 4.16666650772095, 0.16666667163372, 0.0, 0.0 0.0, 0.0, 1.25, 0.333333343267441, 0.0, 0.0, 0.0833333358168602, 0.75, 0.16666667163372, 0.117354027926922, 0.0, 0.0, 0.0, 3.60095357894897, 0.0340206921100616, 1.98310256004333, 0.0, , 0.5, 0.225592225790024, 0.0, 1.5046010017395, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.786754488945007, 0.0, 0.0, 0.0, 0.36615389585495, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 26.2999992370605, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.54893827438354, 0.0, 0.0, 6.99627590179443, 0.0, 0.0, 28.0, 0.0, 157.472045898438, 1.0, 0.0, 7.77074480056763, 0.5, 167.345428466797, 0.0, 0.0, 2.33209204673767, 0.0, 0.0, 0.0, 0.0, 1.15470051765442, 151.358871459961, 1.33209192752838, 3.58496260643005, 2.0, 45.2725982666016, 0.0, 114.019996643066, 0.0, 16.9022789001465, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 4.56891393661499, 0.0, 0.0, 0.5, 2.78769373893738, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 2.6817479133606, 1.0, 0.0, 0.0, 0.0, 1.60947573184967, 0.0, 2.0, 0.0, 0.0, 1.13807117938995, 0.0, 0.0, 0.272486239671707, 0.0, 0.0, 0.0, 1.0, -0.140153273940086, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H8%2Fc1-7-5-3-2-4-6-7%2Fh2-6H%2C1H3, , 0.40824830532074 0.40824830532074, 0.20412415266037, 0.0, 0.0, , , 0.433012694120407 0.433012694120407, 0.0, 0.0, , , 0.40824830532074 0.40824830532074, 0.0, , 0.0, 0.333333343267441, , , , 30.0, 45.0, 0.19245009124279 0.19245009124279, , 0.0, , 0.0, 0.16666667163372, 0.0, 0.0, , 5.14285707473755, 0.0, , 0.128300055861473, 0.0, 2.34375, 0.0, 0.0, , 0.0, 1.5, 0.102062076330185, 0.0, , 0.0, 0.102062076330185, 4.38675117492676, 0.0320750139653683, 2.41068363189697, 0.0320750139653683, , 0.0, 0.16666667163372, , 1.65470051765442, 0.0, 0.0, , 0.0, , 0.0, 0.940455734729767, 0.0, 0.0, , 0.534377872943878, 1.0, 0.0, , 0.303561210632324, , , , 0.0, 0.0641500279307365, , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 7.0, 1.0, , 7.0, 0.0, , 42.0, 0.0, 310.962677001953, 0.0, 0.0, 8.0, 1.85053586959839, 320.438293457031, 0.0, 0.0, 5.0, 0.0, , , , 1.0, 355.858245849609, 1.0, 3.80735492706299, 5.0, 213.793838500977, , 183.0, 0.0, 36.9196434020996, 1.0, , , 0.0, , 0.0, 0.0, , 0.0, , , 0.0, , , , 1.0, 0.0, , , 0.0, 0.0, , 0.0, 5.0, , 5.11288404464722, , , 0.25, 3.3938467502594, 0.0, , , 0.288675129413605, , 2.74318218231201, 0.0, 0.0, 6.08364343643188, , 1.89384686946869, 0.0, 3.04182171821594, , , 1.30671286582947, 5.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.901047587394714, , , 
InChI%3D1S%2FC9H8O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-4H%2C5-6H2, 0.0, 1.29197371006012 1.29197371006012, 1.43704426288605, 0.0508396066725254, 2.0, 1.0, 0.0, 1.95425176620483 1.95425176620483, 0.811929047107697, -0.0131265455856919, 0.0, 0.0, 2.71106457710266 2.71106457710266, -0.0113057093694806, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 56.0, 108.0, 0.441986858844757 0.441986858844757, 0.0, 0.0, 0.0, 0.0, 0.569400668144226 0.569400668144226, 0.0, 0.5, 0.0, 7.63888883590698, 0.0, 0.0, 0.627074122428894 0.627074122428894, 0.0, 3.1640625, 0.0, 0.0, 0.0, 0.0, 1.60000002384186, 0.151374712586403, 0.0, 0.0, 0.0, 0.282117545604706, 6.04011106491089, 0.0532932952046394, 3.64682960510254, 0.0708615332841873, , 1.65096366405487, 0.219913199543953, 0.0, 2.58179330825806, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.79486393928528, 0.0, 0.0240562614053488, 0.0, 1.22033607959747, 0.0, 0.0, 0.0, 0.839010834693909, 0.0, 0.0, 0.0, 0.0, 0.366250514984131, 0.0, 26.2999992370605, 0.0, 0.177149802446365, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.5489377975464, 1.0, 0.0, 12.9962759017944, 0.0, 0.0, 144.0, 0.0, 552.516235351562, 1.0, 0.0, 18.1028366088867, 0.0, 629.067138671875, 0.0, 0.0, 15.6604595184326, 0.0, 0.0, 0.0, 0.0, 0.0, 830.081115722656, 8.99627590179443, 4.45943164825439, 14.0, 700.335083007812, 0.0, 290.019989013672, 0.0, 352.019012451172, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.0, 0.0, 7.68179845809937, 0.0, 0.0, 0.5, 5.36017322540283, 0.0, 0.0, 0.0, 0.622008442878723, 0.0, 4.72284078598022, 0.0, 0.0, 6.63197565078735, 0.0, 3.80187177658081, 0.0833333358168602, 8.44211196899414, 0.0, 0.0, 3.1080687046051, 4.0, 0.0, 0.262897163629532, 0.0, 0.0, 0.0, 1.0, -0.156746551394463, 0.0, 2.60960268974304, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H8N2O2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-4H2, 0.0, 0.492799282073975 0.492799282073975, 0.348461717367172, -0.0434911251068115, 4.0, 1.0, 0.0, 0.594861328601837 0.594861328601837, 0.144337564706802, 0.0417371280491352, 0.0, 0.0, 0.492799282073975 0.492799282073975, -0.0228160358965397, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 34.0, 60.0, 0.105219885706902 0.105219885706902, 0.0, 0.0, 0.0, 0.0, 0.119935870170593 0.119935870170593, 0.0, 0.333333343267441, 0.0, 6.125, 0.0, 0.0, 0.105219885706902 0.105219885706902, 0.0, 3.11111116409302, 0.0, 0.0, 0.0, 0.0, 1.79999995231628, 0.102062076330185, 0.0, 0.0, 0.0, 0.0721687823534012, 4.53935098648071, 0.0456435456871986, 2.67005133628845, 0.020412415266037, , 0.0, 0.0577350258827209, 0.0, 1.69775724411011, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.07511615753174, 0.0, 0.0, 0.0, 0.647994935512543, 0.0, 0.0, 0.0, 0.398262977600098, 0.0, 0.0, 0.0, 0.0, 0.0730223581194878, 0.0, 41.9000015258789, 0.0, 0.0166666675359011, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.2689142227173, 0.0, 0.0, 9.96519756317139, 0.0, 0.0, 64.0, 0.0, 258.424560546875, 0.0, 0.0, 11.2696714401245, 0.0, 270.599090576172, 0.0, 0.0, 8.9372091293335, 0.0, 0.0, 0.0, 0.0, 0.0, 301.802093505859, 3.83036923408508, 4.0, 7.0, 206.690292358398, 0.0, 200.039993286133, 0.0, 65.7576675415039, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 2.0, 0.0, 5.81999111175537, 0.0, 0.0, 0.400000005960464, 3.9318516254425, 0.0, 0.0, 0.0, 0.20412415266037, 1.0, 2.91228413581848, 0.0, 0.0, 3.96540641784668, 0.0, 2.30209517478943, 0.0, 0.0, 0.0, 0.0, 1.59538793563843, 0.0, 0.0, 0.135464951395988, 0.0, 0.0, 0.0, 1.0, -0.0385059863328934, 1.0, 1.10517168045044, 0.0, 0.0, 0.0
InChI%3D1S%2FC15H18N4O5%2Fc1-5-9%2816%2912%2821%298-6%284-24-14%2817%2922%2915%2823-2%2913-7%2818-13%293-19%2815%2910%288%2911%285%2920%2Fh6-7%2C13%2C18H%2C3-4%2C16H2%2C1-2H3%2C%28H2%2C17%2C22%29%2Ft6-%2C7%2B%2C13%3F%2C15%3F%2Fm1%2Fs1, 0.0, 6.40712785720825 6.40712785720825, 5.94660329818726, 0.0671673864126205, 2.0, 2.0, 0.0, 11.5166835784912 11.5166835784912, 4.49699115753174, 0.0280036497861147, 0.0, 0.0, 18.1537322998047 18.1537322998047, -0.126031562685966, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 142.0, 356.0, 2.75357437133789 2.75357437133789, 0.0, 0.458566069602966, 0.0, 0.235702261328697, 4.53292608261108 4.53292608261108, 0.16666667163372, 1.31556057929993, 0.0, 17.4156379699707, 0.284517794847488, 0.0, 6.02814149856567 6.02814149856567, 0.0, 5.75, 0.206930264830589, 0.0, 0.0, 0.201184466481209, 2.19809699058533, 1.08718776702881, 0.143905058503151, 1.0, 0.0, 2.27339005470276, 13.2510347366333, 0.58327841758728, 7.63234901428223, 0.980404198169708, , 16.2191200256348, 1.10323464870453, 1.0, 6.44536304473877, 0.0, 4.30178546905518, 0.0, 0.0304290316998959, 0.0, 0.0, 5.30238199234009, 0.0, 0.352926284074783, 0.0, 4.19048261642456, 2.0, 0.0303006786853075, 0.0, 3.11902236938477, 0.0, 0.0, 0.0, 0.0, 2.11770963668823, 0.0, 147.880004882812, 0.125, 1.3911064863205, 0.0, 0.28571429848671, 2.0, 0.0, 0.0, 0.365148365497589, 29.3122978210449, 1.0, 0.0, 30.4879398345947, 0.25, 0.0, 1115.0, 0.142857149243355, 1848.38940429688, 7.0, 0.0, 47.2551765441895, 0.854574024677277, 2383.8544921875, 1.0, 0.0, 57.165340423584, 0.0, 0.0, 0.0, 0.0, 5.13514757156372, 3744.2587890625, 56.5798225402832, 5.58496236801147, 49.0, 4093.80590820312, 0.0, 1473.08996582031, 0.63245552778244, 3598.466796875, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.333333343267441, 3.0, 0.0, 17.3863868713379, 0.0, 0.0, 0.444444447755814, 11.3402767181396, 0.0, 1.0, 0.0, 2.37026929855347, 0.0, 11.0792541503906, 3.0, 0.0680413842201233, 0.25, 0.0, 10.0579414367676, 0.983764111995697, 6.89236164093018, 0.0, 0.0, 8.63603973388672, 0.0, 0.0, 0.850003778934479, 0.0833333358168602, 1.0, 0.0, 2.0, -0.452351659536362, 1.0, 7.38221883773804, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H14N8S3%2Fc10-6-7%2817-20-16-6%2913-1-2-18-3-5-4-19-9%2814-5%2915-8%2811%2912%2Fh4H%2C1-3H2%2C%28H2%2C10%2C16%29%28H%2C13%2C17%29%28H4%2C11%2C12%2C14%2C15%29, 0.0, 2.04248833656311 2.04248833656311, 1.96641004085541, 0.0832501947879791, 3.0, 0.0, 0.0, 2.99949240684509 2.99949240684509, 1.34123980998993, 0.00632217526435852, 0.0, 0.0, 2.52201461791992 2.52201461791992, 0.0171732269227505, 0.0, 0.0, 0.857142865657806, 0.0, 0.0, 2.0, 96.0, 434.0, 0.826790273189545 0.826790273189545, 0.0, 0.0, 0.0, 0.0, 1.25393092632294 1.25393092632294, 0.0, 0.0, 1.0, 16.3718814849854, 0.0, 0.0, 1.02955293655396 1.02955293655396, 0.0, 8.44444465637207, 0.235702261328697, 0.0, 0.0, 0.0, 5.731529712677, 0.367851138114929, 0.140294179320335, 0.0, 0.0, 0.308222562074661, 12.8692464828491, 0.161404132843018, 8.36453437805176, 0.15550871193409, , 2.12515473365784, 0.420837938785553, 2.0, 6.15182685852051, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.43783855438232, 0.0, 0.0144337564706802, 0.0, 3.3130669593811, 0.0, 0.0, 0.0, 2.00336170196533, 0.0, 0.0, 0.0, 0.0, 1.37828421592712, 0.0, 220.399993896484, 0.430674374103546, 0.913489937782288, 0.0, 2.58941793441772, 0.0, 0.0, 0.0, 0.0, 41.2631645202637, 0.0, 0.0, 33.7341079711914, 0.0, 0.0, 1053.0, 0.0, 1564.38989257812, 1.0, 0.0, 43.2590675354004, 0.0, 1724.7939453125, 0.0, 0.0, 36.5402870178223, 0.0, 0.0, 0.0, 0.0, 0.0, 2168.78759765625, 36.0811233520508, 5.32192802429199, 21.0, 1666.66906738281, 0.0, 845.109985351562, 0.0, 1487.08630371094, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 2.01364183425903, 0.0, 0.0, 0.0, 1.0, 0.0, 14.3720331192017, 0.0, 0.0, 0.461538463830948, 9.64786720275879, 0.0, 2.0, 0.0, 1.21886551380157, 0.0, 8.48093032836914, 0.0, 0.0, 2.40685200691223, 0.0, 6.18097400665283, 0.117851130664349, 5.34212827682495, 3.0, 0.0, 4.98884916305542, 1.0, 0.0, 0.400347799062729, 0.0, 0.0, 0.0, 0.0, -0.288302630186081, 0.0, 2.96899318695068, 0.0, 0.0, 0.0
InChI%3D1S%2FC5H8%2Fc1-4-5%282%293%2Fh4H%2C1-2H2%2C3H3, 0.0, 0.40824830532074 0.40824830532074, 0.0, -0.000239547895034775, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, -7.99172357801581e-06, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 16.0, 19.0, 0.144337564706802 0.144337564706802, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.25, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.49156379699707, 0.0, 1.55047678947449, 0.0, , 0.0, 0.20412415266037, 0.0, 1.05047678947449, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.348461717367172, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 4.0, 0.0, 0.0, 18.0, 1.14471423625946, 186.856338500977, 1.0, 0.0, 4.0, 1.88988161087036, 163.763259887695, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 2.38110160827637, 144.089981079102, 0.0, 3.32192802429199, 2.0, 59.185001373291, 0.0, 124.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 4.28445720672607, 0.0, 0.0, 0.333333343267441, 2.27005553245544, 1.0, 0.0, 0.0, 0.40824830532074, 0.0, 1.80209517478943, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.00146101729478687, 0.0, 0.0, 0.0, 0.0, -0.000482969044242054, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC10H16%2Fc1-8%282%2910-6-4-9%283%295-7-10%2Fh4%2C10H%2C1%2C5-7H2%2C2-3H3%2Ft10-%2Fm0%2Fs1, 0.0, 1.44868838787079 1.44868838787079, 0.919957399368286, -0.00438785087317228, 3.0, 0.0, 0.0, 1.40419375896454 1.40419375896454, 0.19245009124279, 0.001416519517079, 0.0, 0.0, 1.49826681613922 1.49826681613922, 0.00249123969115317, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 46.0, 88.0, 1.00914525985718 1.00914525985718, 0.0, 0.0, 0.0, 0.0, 0.922237157821655 0.922237157821655, 0.0, 0.0, 0.0, 8.10000038146973, 0.0, 0.0, 0.911621332168579 0.911621332168579, 0.0, 3.40828394889832, 0.0, 0.0, 0.0, 0.0, 2.28571438789368, 0.0833333358168602, 0.0, 0.0, 0.0, 0.131445854902267, 6.98312759399414, 0.0589255653321743, 4.009202003479, 0.0883883461356163, , 1.31037068367004, 0.55258584022522, 0.0, 3.36813020706177, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.33489084243774, 0.0, 0.102062076330185, 0.0, 1.41284239292145, 2.0, 0.0, 0.0, 0.977168560028076, 0.0, 0.0, 0.0, 1.0, 0.542827665805817, 0.0, 0.0, 0.0, 0.100592233240604, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 10.0, 1.0, 0.0, 10.0, 0.0, 0.0, 120.0, 0.721124768257141, 613.598327636719, 2.0, 0.0, 13.0, 3.88832259178162, 660.84912109375, 0.0, 0.0, 11.0, 0.0, 0.0, 0.0, 0.0, 3.86777687072754, 821.058654785156, 6.0, 4.32192802429199, 11.0, 659.888305664062, 0.0, 586.0, 0.0, 328.919525146484, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 3.0, 0.0, 7.56047773361206, 0.0, 0.0, 0.5, 4.69837713241577, 1.0, 0.0, 0.0, 0.788675129413605, 0.0, 4.26396894454956, 1.0, 0.0, 3.30192732810974, 0.0, 3.00332260131836, 0.16666667163372, 7.06555128097534, 0.0, 0.0, 1.95252978801727, 0.0, 0.0, 0.00875798985362053, 0.0, 0.0, 0.0, 0.0, -0.00237844698131084, 0.0, 1.44913530349731, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H4Br6%2Fc13-7-3-11%2817%299%2815%291-5%287%296-2-10%2816%2912%2818%294-8%286%2914%2Fh1-4H, 0.0, 4.00280666351318 4.00280666351318, 2.52313590049744, -0.0404223799705505, 0.0, 0.0, 0.0, 5.18380451202393 5.18380451202393, 1.43388307094574, -0.00607776176184416, 0.0, 0.0, 8.35642528533936 8.35642528533936, -0.0211597979068756, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 94.0, 256.0, 4.93727397918701 4.93727397918701, 0.0, 0.0, 0.0, 0.0, 5.32387781143188 5.32387781143188, 0.0, 0.0, 0.0, 14.4099721908569, 0.0, 0.0, 9.33631324768066 9.33631324768066, 0.0, 5.55102062225342, 0.0, 0.0, 0.0, 0.0, 2.96296286582947, 0.111111111938953, 0.0, 0.0, 0.0, 0.397483348846436, 18.0931663513184, 0.0416666679084301, 9.45128440856934, 0.266328454017639, , 10.3922309875488, 1.84517765045166, 0.0, 8.61834812164307, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.31077146530151, 0.0, 0.827353894710541, 0.0, 4.55975580215454, 0.0, 0.0, 0.0, 3.70966625213623, 0.0, 0.0, 0.0, 0.0, 1.93815457820892, 0.0, 0.0, 0.0, 1.06916034221649, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 277.548553466797, 2.0, 0.0, 52.9160537719727, 0.0, 0.0, 573.0, 0.0, 2268.47875976562, 0.0, 0.0, 95.8321075439453, 0.0, 2642.87280273438, 0.0, 0.0, 195.65364074707, 0.0, 0.0, 0.0, 0.0, 0.0, 3717.78637695312, 178.348281860352, 5.16992521286011, 30.0, 3783.55053710938, 0.0, 223.059997558594, 0.0, 2960.40893554688, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 13.447229385376, 6.0, 0.0, 0.444444447755814, 8.39675426483154, 0.0, 0.0, 0.0, 1.68637907505035, 0.0, 8.13422203063965, 0.0, 0.0, 1.66881787776947, 0.0, 6.7295970916748, 0.581339001655579, 13.8093976974487, 0.0, 0.0, 4.96846055984497, 4.0, 0.0, 0.173930764198303, 0.0, 0.0, 0.0, 0.0, -0.0321451313793659, 0.0, 4.17670917510986, 0.0, 0.0, 0.0
InChI%3D1S%2F2C8H16O2.Ca%2Fc2%2A1-3-5-7%286-4-2%298%289%2910%3B%2Fh2%2A7H%2C3-6H2%2C1-2H3%2C%28H%2C9%2C10%29%3B%2Fq%3B%3B%2B2%2Fp-2, 0.0, 2.0808801651001 2.0808801651001, 0.288675129413605, 0.0360396280884743, 8.0, 0.0, 0.0, 2.24754691123962 2.24754691123962, 0.0, -0.0218502674251795, 0.0, 0.0, 2.41421365737915 2.41421365737915, -0.00115217443089932, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 76.0, 1640261632.0, 0.526099443435669 0.526099443435669, 0.0, 4.76220293421648e-06, 0.0, 0.0, 0.719252526760101 0.719252526760101, 0.0, 0.0, 0.0, 25.9259262084961, 0.0, 0.0, 0.455341815948486 0.455341815948486, 0.0, 18.0499992370605, 0.0, 0.0, 0.0, 0.0, 16.2000007629395, 0.0, 0.0, 0.0, 0.0, 0.0, 12.6280517578125, 0.0, 7.44701862335205, 0.0, , 6.00000021222513e-06, 0.288675129413605, 0.0, 4.78424978256226, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.88188076019287, 0.0, 0.0, 0.0, 1.91822421550751, 4.0, 0.0, 0.0, 0.813052535057068, 0.0, 0.0, 0.0, 0.0, 0.288675129413605, 0.0, 80.2600021362305, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 34.2324447631836, 2.0, 0.0, 19.3283672332764, 0.0, 0.0, 120000004096.0, 3.30192733599688e-06, 820.450073242188, 2.0, 0.0, 22.8773059844971, 0.000638105499092489, 821.871032714844, 0.0, 0.0, 22.6567363739014, 0.0, 0.0, 0.0, 0.0, 0.000271847093245015, 877.936950683594, 20.6567363739014, 5.39231729507446, 20.0, 808.947570800781, 0.0, 1884.05004882812, 0.0, 607.306823730469, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.0, 0.0, 15.9662551879883, 0.0, 0.0, 0.999000012874603, 9.43748760223389, 0.0, 0.0, 0.0, 1.0, 0.0, 7.16289377212524, 2.0, 0.0, 0.000148468490806408, 0.0, 4.52348184585571, 0.333333343267441, 0.000741741037927568, 0.0, 0.0, 3.10517168045044, 0.0, 0.0, 0.529590725898743, 0.0, 0.0, 0.0, 2.0, -0.277801841497421, 0.0, 1.91068363189697, 0.0, 0.0, 0.0
InChI%3D1S%2FC13H12F2N6O%2Fc14-10-1-2-11%2812%2815%293-10%2913%2822%2C4-20-8-16-6-18-20%295-21-9-17-7-19-21%2Fh1-3%2C6-9%2C22H%2C4-5H2, 0.0, 3.54271817207336 3.54271817207336, 3.17876505851746, -0.00963092409074306, 2.0, 0.0, 0.0, 6.48503160476685 6.48503160476685, 1.96817409992218, -0.0471666343510151, 0.0, 0.0, 8.03734683990479 8.03734683990479, 0.0278214327991009, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 116.0, 341.0, 1.23535287380219 1.23535287380219, 0.0, 0.0, 0.0, 0.0, 1.73993182182312 1.73993182182312, 0.0, 0.0, 0.0, 16.84375, 0.0, 0.0, 1.78562211990356 1.78562211990356, 0.25, 7.2664361000061, 0.288675129413605, 0.0, 0.0, 0.0, 4.11033010482788, 0.272165536880493, 0.0596284791827202, 1.0, 0.0, 0.272165536880493, 11.3420896530151, 0.0662199631333351, 6.39475870132446, 0.0512948073446751, , 1.65096366405487, 0.747933924198151, 0.0, 4.84187459945679, 0.0, 1.5, 0.0, 0.0559016987681389, 0.0, 0.0, 3.2127799987793, 0.0, 0.0974764600396156, 0.0, 2.25196552276611, 0.0, 0.0161374304443598, 0.0, 1.27211833000183, 0.0, 0.0, 0.0, 0.0, 0.757839739322662, 0.0, 81.6500015258789, 0.0, 0.407078683376312, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 27.9384860992432, 2.0, 0.0, 27.8774909973145, 0.0, 0.0, 1000.0, 0.0, 1217.32922363281, 0.0, 0.0, 40.0928497314453, 0.0, 1440.61437988281, 1.0, 0.0, 36.0095252990723, 0.0, 0.0, 0.0, 0.0, 0.0, 2038.50891113281, 43.3934097290039, 5.45943164825439, 30.0, 1906.63305664062, 0.0, 834.090026855469, 0.0, 1956.27709960938, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 1.30587530136108, 0.0, 6.0, 2.87443280220032, 5.0, 0.0, 15.5791397094727, 0.0, 0.0, 0.444444447755814, 10.5662984848022, 0.0, 0.0, 0.0, 1.85306262969971, 0.0, 9.86524486541748, 0.0, 0.144337564706802, 8.80267429351807, 0.0, 7.78614473342896, 0.308925569057465, 8.40223407745361, 6.0, 0.0, 6.83472537994385, 7.0, 2.0, 0.591589868068695, 0.0589255653321743, 3.7579391002655, 0.0, 0.0, -0.274398535490036, 0.0, 4.08220100402832, 0.0, 2.0, 0.0
InChI%3D1S%2FC3H8N2O2%2Fc1-5%284-7%292-3-6%2Fh6H%2C2-3H2%2C1H3, , 0.492799282073975 0.492799282073975, 0.0, -0.0158050321042538, 2.0, 0.0, 0.0, 0.40824830532074 0.40824830532074, 0.0, 0.0271127112209797, , 0.0, 0.20412415266037 0.20412415266037, -0.0589582063257694, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 24.0, 45.0, 0.157735019922256 0.157735019922256, 0.0, 0.200000002980232, 0.0, 0.0, 0.085546188056469 0.085546188056469, 0.0, 0.0, 0.0, 7.0, 0.0, 0.0, 0.0182574186474085 0.0182574186474085, 0.0, 4.16666650772095, 0.0, 0.0, 0.0, 0.0, 3.83999991416931, 0.0, 0.0, 1.0, 0.0, 0.0, 4.16410255432129, 0.0, 1.96224331855774, 0.0, , 0.0, 0.141421362757683, 0.0, 1.18651235103607, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.562991499900818, 0.0, 0.0, , 0.185546189546585, 1.0, 0.0, 0.0, 0.0182574186474085, 0.0, , , 0.0, 0.0, 0.0, 52.9000015258789, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 9.26891422271729, 0.0, 0.0, 7.57791662216187, 0.0, , 50.0, 0.0, 181.283050537109, 0.0, 0.0, 7.38411378860474, 0.816496610641479, 171.201019287109, 0.0, 0.0, 6.38383531570435, 0.0, 0.0, 0.0, , 0.0, 163.016357421875, 4.21764993667603, 3.80735492706299, 5.0, 112.257606506348, 0.0, 154.039993286133, 0.0, 54.1669654846191, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 2.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 5.69867038726807, , , 0.400000005960464, 3.30806040763855, 0.0, 0.0, 0.0, 0.288675129413605, 1.0, 2.30209517478943, 0.0, 0.0, 1.0, , 1.47839784622192, 0.0, 0.0, 0.0, 0.0, 0.696923434734344, 0.0, 0.0, 0.158046767115593, 0.0, 0.0, 0.0, 1.0, -0.059879194945097, 1.0, 0.20412415266037, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H12N3PS%2Fc11-10%287-1-2-7%2C8-3-4-8%299-5-6-9%2Fh1-6H2, 0.0, 2.75547456741333 2.75547456741333, 0.5, 0.241666406393051, 3.0, 0.0, 0.0, 3.98138046264648 3.98138046264648, 0.0, -0.274789959192276, 0.0, 0.0, 4.25974035263062 4.25974035263062, 0.111579388380051, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 68.0, 86.0, 5.20491981506348 5.20491981506348, 0.0, 0.0, 0.0, 0.866025388240814, 6.78556060791016 6.78556060791016, 0.670820415019989, 0.0, 0.0, 6.50887584686279, 0.433012694120407, 0.0, 7.15731143951416 7.15731143951416, 1.5, 1.83673465251923, 0.0, 0.0, 1.0, 0.899999976158142, 0.87791496515274, 0.70710676908493, 0.0, 0.0, 0.0, 2.00969266891479, 8.15066719055176, 1.13841998577118, 6.84053421020508, 3.33132171630859, , 0.0, 2.00590062141418, 0.0, 7.56757068634033, 0.0, 0.0, 0.0, 0.146969377994537, 0.0, 0.0, 7.19453144073486, 0.0, 1.16590058803558, 0.0, 5.42447853088379, 0.0, 0.220454081892967, 0.0, 2.27683997154236, 0.0, 0.0, 0.0, 0.0, 0.804984450340271, 0.0, 50.9300003051758, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.8581314086914, 0.0, 0.0, 25.9042739868164, 0.0, 0.0, 139.0, 0.0, 640.454650878906, 0.0, 0.0, 28.8933944702148, 0.0, 812.268615722656, 0.0, 0.0, 30.0129337310791, 0.0, 0.0, 0.0, 0.0, 0.0, 825.699401855469, 12.0, 4.45943164825439, 18.0, 937.596557617188, 0.0, 515.049987792969, 0.0, 512.161071777344, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.47469139099121, 0.0, 0.0, 0.5, 5.31551504135132, 0.0, 0.0, 0.0, 1.02923774719238, 0.0, 5.18884658813477, 0.0, 0.0962250456213951, 4.94815444946289, 0.0, 3.50498390197754, 0.644337594509125, 0.0, 0.0, 0.0, 2.86602544784546, 0.0, 0.0, 0.229506134986877, 0.144337564706802, 0.0, 0.0, 0.0, -0.193208903074265, 3.0, 1.41421353816986, 0.0, 0.0, 0.0
InChI%3D1S%2FC14H7Br2NO2%2Fc15-8-5-9%2816%2912%2817%2911-10%288%2913%2818%296-3-1-2-4-7%286%2914%2811%2919%2Fh1-5H%2C17H2, 0.0, 4.3491005897522 4.3491005897522, 3.65047097206116, -0.0117851290851831, 0.0, 0.0, 0.0, 7.69994640350342 7.69994640350342, 2.53844237327576, -0.1156917065382, 0.0, 0.0, 12.7544097900391 12.7544097900391, -0.175927549600601, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 106.0, 250.0, 2.17456483840942 2.17456483840942, 0.0, 0.200000002980232, 0.0, 0.0, 3.44091868400574 3.44091868400574, 0.0, 0.0, 0.0, 13.9591836929321, 0.0, 0.0, 4.74156284332275 4.74156284332275, 0.0, 5.080078125, 0.0, 0.0, 0.0, 0.0, 2.08601188659668, 0.16573129594326, 0.0, 0.0, 0.0, 0.453905135393143, 12.7085199356079, 0.0614449754357338, 7.06558513641357, 0.17352993786335, , 17.2629127502441, 1.01051509380341, 1.0, 5.91639375686646, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.4208607673645, 0.0, 0.262178868055344, 0.0, 3.58255457878113, 0.0, 0.0, 0.0, 2.28682661056519, 0.0, 0.0, 0.0, 0.0, 1.42971575260162, 0.0, 60.1599998474121, 0.0, 0.776680588722229, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 107.425109863281, 4.0, 0.0, 33.1357192993164, 0.0, 0.0, 592.0, 0.0, 1727.15197753906, 2.0, 0.0, 56.2714385986328, 0.0, 2103.46752929688, 0.0, 0.0, 76.1769180297852, 0.0, 0.0, 0.0, 0.0, 0.0, 3153.36572265625, 118.756385803223, 5.24792766571045, 38.0, 3470.5986328125, 0.0, 442.049987792969, 0.0, 2836.1240234375, 7.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 8.0, 0.0, 13.7316865921021, 2.0, 0.0, 0.5, 9.01974487304688, 0.0, 0.0, 0.0, 1.54314255714417, 0.0, 8.53448677062988, 0.0, 0.0, 3.81983685493469, 0.0, 7.78956651687622, 0.656827688217163, 14.0497217178345, 0.0, 0.0, 6.83024263381958, 5.0, 0.0, 0.336182296276093, 0.0, 0.0, 0.0, 2.0, -0.0354607626795769, 0.0, 5.66599321365356, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H10N2O.H2O4S%2Fc1-10-7-3-2-5%288%294-6%287%299%3B1-5%282%2C3%294%2Fh2-4H%2C8-9H2%2C1H3%3B%28H2%2C1%2C2%2C3%2C4%29, 0.0, 1.40924251079559 1.40924251079559, 0.830066502094269, 0.0382863394916058, 0.0, 1.0, 0.0, 1.94750583171844 1.94750583171844, 0.144337564706802, 0.0300029758363962, 0.0, 0.0, 2.06838130950928 2.06838130950928, -0.047865267843008, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 66.0, -2064771072.0, 0.388455599546432 0.388455599546432, 0.0, 3.0, 1.0, 0.0, 0.43373367190361 0.43373367190361, 0.0, 3.99999988687227e-09, 0.0, 15.0, 0.0, 0.0, 0.356309950351715 0.356309950351715, 0.0, 6.55401659011841, 0.0, 0.0, 0.0, 0.0, 8.96000003814697, 0.0680413842201233, 0.0, 2.0, 0.0, 0.184195280075073, 8.37303352355957, 0.0240562614053488, 4.41131544113159, 0.0375987067818642, , 1.65096366405487, 0.509343504905701, 2.0, 2.95257544517517, 0.0, 0.0, 0.0, 0.0289036650210619, 0.0, 0.0, 1.2537579536438, 0.0, 0.0196418557316065, 0.0, 0.752830326557159, 1.0, 0.0, 0.0, 0.381072014570236, 0.0, 0.0, 0.0, 0.0, 0.162390694022179, 0.0, 144.25, 0.25, 0.0253119710832834, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 25.7200736999512, 0.0, 0.0, 25.2221527099609, 0.0, 0.0, 49999998976.0, 0.0, 630.21337890625, 0.0, 0.0, 24.9757385253906, 0.825481832027435, 653.984497070312, 0.0, 0.0, 13.8823909759521, 0.0, 0.0, 0.0, 0.0, 0.965489387512207, 828.301086425781, 8.19063568115234, 4.90689039230347, 12.0, 554.458435058594, 0.0, 466.079986572266, 0.0, 267.417816162109, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 12.0604782104492, 0.0, 0.0, 0.999000012874603, 6.73638200759888, 0.0, 0.0, 0.0, 2.69104409217834, 0.0, 7.06383609771729, 0.0, 0.5, 1.65096366405487, 0.0, 3.13352584838867, 0.117851130664349, 5.85380077362061, 0.0, 0.0, 2.33458280563354, 3.0, 0.0, 0.502898931503296, 0.0, 0.0, 0.0, 2.0, -0.311928987503052, 0.0, 1.39430165290833, 0.0, 0.0, 0.0
InChI%3D1S%2FH2SSe%2Fc1-2%2Fh2H2, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 2.0, 2.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.34606528282166, 0.0, 2.5980761051178, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 32.0900001525879, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 50.3461151123047, 0.0, 0.0, 17.5513477325439, 0.0, 0.0, 1.0, 0.0, 24.6401996612549, 0.0, 0.0, 0.0, 0.0, 12.3200998306274, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 1.01999998092651, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 51.0766372680664, 0.0, 0.0, 0.0, 0.0, -25.5383186340332, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2F2ClH.Hg%2Fh2%2A1H%3B%2Fq%3B%3B%2B2%2Fp-2, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 296.370788574219, 0.0, 0.0, 0.0, 0.0, 0.0, 3000000000.0, 0.0, 10.9792976379395, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.58496260643005, 0.0, 0.0, 0.0, 6.03000020980835, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.999000012874603, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC39H59Cl2NO2%2Fc1-27%282%297-6-8-28%283%2934-15-16-35-33-14-11-30-26-32%2817-19-38%2830%2C4%2936%2833%2918-20-39%2834%2C35%295%2944-37%2843%2925-29-9-12-31%2813-10-29%2942%2823-21-40%2924-22-41%2Fh9-13%2C27-28%2C32-36H%2C6-8%2C14-26H2%2C1-5H3%2Ft28-%2C32%2B%2C33%3F%2C34-%2C35%2B%2C36%2B%2C38%3F%2C39%3F%2Fm1%2Fs1, 0.0, 8.62204551696777 8.62204551696777, 8.44656085968018, -0.0677409395575523, 16.0, 1.0, 2.0, 14.8657922744751 14.8657922744751, 6.51268815994263, 0.148075386881828, 0.0, 0.0, 20.7547798156738 20.7547798156738, -0.020744388923049, 0.0, 0.0, 0.923076927661896, 0.0, 0.0, 0.0, 236.0, 1761.0, 7.09309577941895 7.09309577941895, 0.0, 0.0, 0.0, 0.0, 12.0242528915405 12.0242528915405, 0.0, 0.5, 0.0, 35.3107643127441, 0.0, 0.0, 16.3666038513184 16.3666038513184, 0.0, 15.4799995422363, 0.0833333358168602, 2.0, 0.0, 0.0, 7.84765625, 0.47696790099144, 0.0833333358168602, 0.0, 0.0, 1.06582605838776, 29.7734088897705, 0.399425983428955, 19.0037002563477, 0.893241763114929, , 9.73582553863525, 3.03668212890625, 0.0, 16.6085777282715, 0.0, 5.75059032440186, 0.0, 0.219913199543953, 0.0, 0.0, 13.2548694610596, 0.0, 0.972487211227417, 0.0, 10.9536046981812, 5.0, 0.179558381438255, 0.0, 8.23471736907959, 0.0, 0.0, 0.0, 0.0, 6.18428897857666, 0.0, 29.5400009155273, 0.0, 4.45480728149414, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 61.3344345092773, 7.0, 0.0, 53.398307800293, 0.0, 0.0, 8379.0, 1.54697179794312, 3793.55859375, 2.0, 0.0, 76.6710510253906, 12.0341920852661, 4542.79345703125, 2.0, 0.0, 85.8773727416992, 0.0, 0.0, 0.0, 0.0, 8.45406913757324, 6729.41943359375, 87.6298675537109, 6.45943164825439, 79.0, 7348.12646484375, 0.0, 9557.0498046875, 2.24225974082947, 6702.08447265625, 2.0, 0.0, 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 9.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 18.0, 0.0, 31.4845523834229, 0.0, 0.0, 0.479999989271164, 21.0837211608887, 1.0, 0.0, 0.0, 3.69371318817139, 0.0, 19.522518157959, 7.0, 0.235702261328697, 0.0, 0.0, 16.3239517211914, 1.10567438602448, 38.9654388427734, 0.0, 0.0, 14.0724639892578, 4.0, 0.0, 0.461766391992569, 0.203263133764267, 7.5461630821228, 0.0, 1.0, -0.242056325078011, 1.0, 11.1420593261719, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H7NO%2Fc1-3%282%294-5%2Fh5H%2C1-2H3, 0.0, 0.40824830532074 0.40824830532074, 0.0, -0.012196091003716, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, -0.00618324382230639, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 16.0, 19.0, 0.100000001490116 0.100000001490116, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.25, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 1.0, 0.0, 0.0, 3.39442729949951, 0.0, 1.4236067533493, 0.0, , 0.0, 0.223606795072556, 0.0, 1.04721355438232, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.200000002980232, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 32.5900001525879, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.13445711135864, 0.0, 0.0, 4.719651222229, 0.0, 0.0, 18.0, 0.5, 127.862686157227, 1.0, 0.0, 4.66446256637573, 0.0, 111.025901794434, 0.0, 0.0, 2.66418385505676, 0.0, 0.0, 0.0, 0.0, 2.0, 99.3422317504883, 0.0, 3.32192802429199, 2.0, 37.0827751159668, 0.0, 101.019996643066, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 4.28445720672607, 0.0, 0.0, 0.333333343267441, 2.27005553245544, 0.0, 0.0, 0.0, 0.40824830532074, 1.0, 1.80209517478943, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0244477801024914, 0.0, 0.0, 0.0, 0.0, 0.00615544570609927, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC2H3Cl2F%2Fc1-2%283%2C4%295%2Fh1H3, 0.0, 0.0 0.0, 0.0, 0.0166832506656647, 0.0, 0.0, 2.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 20.0, 12.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 4.14575147628784, 0.0, 1.82287561893463, 0.0, , 0.0, 1.31440567970276, 0.0, 2.3943042755127, 0.0, 0.0, 0.0, 0.242977157235146, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 21.9275512695312, 0.0, 0.0, 8.48526000976562, 0.0, 0.0, 16.0, 0.0, 174.607330322266, 0.0, 0.0, 25.5360412597656, 0.0, 164.597854614258, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 171.307083129883, 0.0, 3.32192802429199, 0.0, 0.0, 0.0, 29.0300006866455, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.5, 0.0, 0.0, 0.5, 2.0, 0.0, 0.0, 0.0, 2.0, 0.0, 3.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.165931820869446, 0.0, 0.0, 0.0, 0.0, -0.0996491611003876, 0.0, 0.0, 0.0, 1.0, 0.0
InChI%3D1S%2FC9H8Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-2%2C5-6H%2C3-4H2, 0.0, 3.06982517242432 3.06982517242432, 2.06961703300476, 0.0984530672430992, 2.0, 0.0, 3.0, 5.29395484924316 5.29395484924316, 1.42892241477966, -0.0228299684822559, 0.0, 0.0, 8.15641498565674 8.15641498565674, -0.199142158031464, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 86.0, 183.0, 2.3341372013092 2.3341372013092, 0.0, 0.25, 0.0, 0.0, 3.6075336933136 3.6075336933136, 0.0, 0.0, 1.0, 12.4567470550537, 0.0, 0.0, 4.68471479415894 4.68471479415894, 0.0, 4.34911251068115, 0.0641500279307365, 0.0, 0.0, 0.0, 2.48828125, 0.347716152667999, 0.0372678004205227, 0.0, 0.0, 0.615596115589142, 11.1137495040894, 0.184332758188248, 6.59340715408325, 0.278502225875854, , 4.24264049530029, 3.56898164749146, 0.0, 7.77732419967651, 0.0, 1.15470051765442, 0.0, 0.892755091190338, 0.0, 0.0, 4.03246784210205, 0.0, 0.149249538779259, 0.0, 3.24216198921204, 0.0, 0.0, 0.0, 2.48183035850525, 0.0, 0.0, 0.0, 0.0, 1.46552443504333, 0.0, 62.6800003051758, 0.0, 0.995282053947449, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 47.1749382019043, 2.0, 0.0, 27.6350154876709, 0.0, 0.0, 405.0, 0.0, 1417.59130859375, 2.0, 0.0, 75.3890151977539, 0.0, 1673.32006835938, 1.0, 0.0, 42.1041107177734, 0.0, 0.0, 0.0, 0.0, 0.0, 2364.078125, 39.1493873596191, 5.0, 24.0, 2060.90991210938, 0.0, 385.070007324219, 0.0, 1696.76635742188, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 2.0, 0.0, 11.9222850799561, 0.0, 0.0, 0.428571432828903, 7.39966535568237, 2.0, 0.0, 0.0, 2.35380864143372, 0.0, 7.7590389251709, 2.0, 0.353553384542465, 3.96540641784668, 0.0, 5.42431783676147, 0.36982524394989, 6.87156677246094, 0.0, 0.0, 4.68657207489014, 0.0, 0.0, 0.43500217795372, 0.0, 0.730296730995178, 0.0, 2.0, -0.228622242808342, 1.0, 3.92355966567993, 0.0, 0.0, 0.0
InChI%3D1S%2FC16H14O6%2Fc17-10-2-1-8-13-9-4-12%2819%2911%2818%293-7%289%295-16%2813%2C21%296-22-15%288%2914%2810%2920%2Fh1-4%2C13%2C17-21H%2C5-6H2%2Ft13-%2C16%3F%2Fm0%2Fs1, 0.0, 5.791907787323 5.791907787323, 5.46465110778809, -0.302623003721237, 2.0, 1.0, 0.0, 9.40066242218018 9.40066242218018, 4.23166036605835, 0.20522466301918, 0.0, 0.0, 14.7481441497803 14.7481441497803, 0.117214612662792, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 130.0, 364.0, 2.13801145553589 2.13801145553589, 0.0, 1.60495579242706, 0.0, 0.0, 3.3087306022644 3.3087306022644, 0.0, 1.12116694450378, 0.0, 15.5232000350952, 0.0, 0.0, 4.35941314697266 4.35941314697266, 0.0, 5.25, 0.0680413842201233, 0.0, 0.0, 0.0, 2.25921511650085, 0.410886287689209, 0.0510310381650925, 5.0, 0.0, 1.04570031166077, 11.4452810287476, 0.20584724843502, 6.85290288925171, 0.373236387968063, , 12.7888317108154, 1.08019459247589, 0.0, 5.89342260360718, 0.0, 3.33070135116577, 0.0, 0.0645497217774391, 0.0, 0.0, 4.49941635131836, 0.0, 0.216936945915222, 0.0, 3.52325654029846, 0.0, 0.0161374304443598, 0.0, 2.6401481628418, 0.0, 0.0, 0.0, 0.0, 1.69437479972839, 0.0, 110.379997253418, 0.0, 1.11082172393799, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 26.6468143463135, 5.0, 0.0, 27.3246440887451, 0.0, 0.0, 912.0, 0.0, 1566.45446777344, 0.0, 0.0, 44.6492881774902, 0.0, 1968.73278808594, 1.0, 0.0, 52.0792541503906, 0.0, 0.0, 0.0, 0.0, 0.0, 3110.509765625, 42.7558479309082, 5.45943164825439, 44.0, 3216.9697265625, 0.0, 1059.06005859375, 0.0, 2634.70703125, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 15.645899772644, 0.0, 0.0, 0.5, 10.4045028686523, 0.0, 0.0, 0.0, 2.37328267097473, 0.0, 10.5139799118042, 1.0, 0.144337564706802, 4.299147605896, 0.0, 9.47815322875977, 0.767676472663879, 18.8937854766846, 0.0, 0.0, 7.93161392211914, 4.0, 0.0, 0.594619393348694, 0.0481125228106976, 2.7494592666626, 0.0, 0.0, -0.147505849599838, 0.0, 6.97484397888184, 0.0, 0.0, 0.0
InChI%3D1S%2FC14H8O4%2Fc15-9-5-1-3-7-11%289%2914%2818%2912-8%2813%287%2917%294-2-6-10%2812%2916%2Fh1-6%2C15-16H, 0.0, 3.76783084869385 3.76783084869385, 3.45582246780396, -0.00810740794986486, 0.0, 0.0, 0.0, 7.07157707214355 7.07157707214355, 2.42318892478943, -0.160640373826027, 0.0, 0.0, 11.0662279129028 11.0662279129028, -0.126962810754776, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 100.0, 224.0, 1.15068924427032 1.15068924427032, 0.0, 1.25397157669067, 0.0, 0.0, 1.68299055099487 1.68299055099487, 0.0, 0.0, 0.0, 13.0050001144409, 0.0, 0.0, 2.10549235343933 2.10549235343933, 0.0, 4.83555555343628, 0.0, 0.0, 0.0, 0.0, 1.98347103595734, 0.17311979830265, 0.0, 2.0, 0.0, 0.462436646223068, 9.17502498626709, 0.0637375190854073, 5.34349584579468, 0.116054050624371, , 14.3172817230225, 0.500499069690704, 0.0, 4.05764627456665, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.02830338478088, 0.0, 0.123337551951408, 0.0, 2.20604062080383, 0.0, 0.0, 0.0, 1.50037264823914, 0.0, 0.0, 0.0, 0.0, 0.82978481054306, 0.0, 74.5999984741211, 0.0, 0.478003054857254, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 21.0978755950928, 4.0, 0.0, 21.3283672332764, 0.0, 0.0, 512.0, 0.0, 1189.06872558594, 2.0, 0.0, 32.6567344665527, 0.0, 1456.04833984375, 0.0, 0.0, 39.6492881774902, 0.0, 0.0, 0.0, 0.0, 0.0, 2170.16137695312, 38.8624114990234, 5.16992521286011, 35.0, 2336.44018554688, 0.0, 478.040008544922, 0.0, 1853.97216796875, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 8.0, 0.0, 12.861442565918, 0.0, 0.0, 0.428571432828903, 8.6090612411499, 0.0, 0.0, 0.0, 1.35069239139557, 0.0, 8.01701831817627, 0.0, 0.0, 4.81319952011108, 0.0, 7.26169109344482, 0.533291578292847, 16.0331611633301, 0.0, 0.0, 6.58201360702515, 6.0, 0.0, 0.405022740364075, 0.0, 0.0, 0.0, 2.0, -0.0563324466347694, 0.0, 5.23861265182495, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H10O%2Fc1-4%282%2C3%295%2Fh5H%2C1-3H3, 0.0, 0.0 0.0, 0.0, -0.0193052291870117, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 20.0, 12.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 1.0, 0.0, 0.0, 3.94721364974976, 0.0, 1.72360682487488, 0.0, , 0.0, 1.17082035541534, 0.0, 2.17082047462463, 0.0, 0.0, 0.0, 0.223606795072556, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.77446889877319, 1.0, 0.0, 4.33209180831909, 0.0, 0.0, 16.0, 1.5, 154.24462890625, 0.0, 0.0, 6.99627590179443, 0.0, 141.682571411133, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 159.966644287109, 0.0, 3.32192802429199, 0.0, 0.0, 0.0, 176.009994506836, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.5, 0.0, 0.0, 0.5, 2.0, 0.0, 0.0, 0.0, 2.0, 0.0, 3.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0706992447376251, 0.0, 0.0, 0.0, 0.0, -0.0160443913191557, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC17H15NO2%2Fc1-11%2819%2918%2812%282%2920%2917-9-5-8-15-14-7-4-3-6-13%2814%2910-16%2815%2917%2Fh3-9H%2C10H2%2C1-2H3, 0.0, 3.550696849823 3.550696849823, 3.65280485153198, 0.0877251252532005, 1.0, 0.0, 0.0, 6.73499441146851 6.73499441146851, 2.8314642906189, -0.0950431376695633, 0.0, 0.0, 8.92454242706299 8.92454242706299, 0.0245701838284731, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 108.0, 276.0, 1.44852340221405 1.44852340221405, 0.0, 0.25, 0.0, 0.0, 2.28156542778015 2.28156542778015, 0.0, 0.0, 0.0, 14.9173555374146, 0.0, 0.0, 2.64270901679993 2.64270901679993, 0.0, 6.01171875, 0.0785674229264259, 0.0, 0.0, 0.0, 2.72000002861023, 0.363402307033539, 0.0441941730678082, 0.0, 0.0, 0.623909473419189, 11.5122690200806, 0.150477677583694, 6.60754251480103, 0.222629010677338, , 8.72006130218506, 0.637813568115234, 0.0, 5.01062250137329, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.69674801826477, 0.0, 0.160414382815361, 0.0, 2.91090154647827, 2.0, 0.0, 0.0, 1.92537701129913, 0.0, 0.0, 0.0, 0.0, 1.1491014957428, 0.0, 37.3800010681152, 0.0, 0.746712982654572, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 21.9089260101318, 4.0, 0.0, 23.1627388000488, 0.0, 0.0, 733.0, 0.25, 1443.34301757812, 2.0, 0.0, 34.4358558654785, 2.62908172607422, 1746.09008789062, 0.0, 0.0, 35.8269233703613, 0.0, 0.0, 0.0, 0.0, 3.995924949646, 2573.46508789062, 37.2655754089355, 5.32192802429199, 34.0, 2599.70703125, 0.0, 989.030029296875, 0.0, 2291.22631835938, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.0, 0.0, 14.2756567001343, 0.0, 0.0, 0.5, 9.59222412109375, 0.0, 0.0, 0.0, 1.48877549171448, 0.0, 8.93194484710693, 0.0, 0.0, 9.68753623962402, 0.0, 7.3015193939209, 0.502291202545166, 18.7352771759033, 0.0, 0.0, 6.89478397369385, 7.0, 0.0, 0.304689228534698, 0.0, 0.0, 0.0, 2.0, -0.168026342988014, 1.0, 5.19998979568481, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H15N3O2%2Fc1-2-3-4-5-6-10%289-12%297%288%2911%2Fh2-6H2%2C1H3%2C%28H2%2C8%2C11%29, , 1.08925569057465 1.08925569057465, 0.501885175704956, 0.0917155593633652, 5.0, 0.0, 0.0, 1.17258894443512 1.17258894443512, 0.321114271879196, -0.0830141082406044, , 0.0, 0.71129447221756 0.71129447221756, 0.0257975775748491, , 0.0, 1.0, 0.0, 0.0, 0.0, 46.0, 139.0, 0.203561648726463 0.203561648726463, 0.0, 0.25, 0.0, 0.0, 0.164600849151611 0.164600849151611, 0.0, 0.0, 0.0, 12.0, 0.0, 0.0, 0.10823579877615 0.10823579877615, 0.0, 7.63888883590698, 0.0, 0.0, 0.0, 0.0, 6.25, 0.0, 0.0, 1.0, 0.0, 0.0, 7.28542280197144, 0.0, 4.10312223434448, 0.0, , 0.0, 0.120710678398609, 0.0, 2.58905863761902, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.56651949882507, 0.0, 0.0158113874495029, , 0.873744070529938, 1.0, 0.0, 0.0, 0.465486645698547, 0.0, , , 0.0, 0.227304011583328, 0.0, 76.75, 0.0, 0.126759469509125, , 0.333333343267441, 0.0, 0.0, 0.0, 0.5, 14.6289024353027, 0.0, 0.0, 12.744101524353, 0.0, , 241.0, 0.0, 469.340362548828, 1.0, 0.0, 14.5189418792725, 1.91925978660583, 469.53076171875, 0.0, 0.0, 14.4082860946655, 0.0, 0.0, 0.0, , 0.142857149243355, 492.973571777344, 12.4906749725342, 4.58496236801147, 12.0, 452.365234375, 0.0, 544.049987792969, 0.0, 355.061614990234, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, , , 2.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 4.0, 0.0, 9.39734077453613, , , 0.5, 5.71874380111694, 0.0, 0.0, 0.0, 0.5, 1.0, 4.26168012619019, 0.0, 0.0, 5.67623996734619, 0.0, 2.89565467834473, 0.16666667163372, 1.34123075008392, 0.0, 0.0, 1.84216499328613, 0.0, 0.0, 0.157817542552948, 0.0, 0.0, 0.0, 1.0, -0.112798593938351, 1.0, 0.84427398443222, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H14N2O%2Fc1-3-5-7-8%289%296-4-2%2Fh3-6H2%2C1-2H3, 0.0, , , -0.0462489277124405, 4.0, 0.0, 0.0, , , -0.00898553244769573, 0.0, 0.0, , 0.00428243679925799, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 32.0, 83.0, , 0.0, 0.0, 0.0, , , , 0.0, 0.0, 9.0, , 0.0, , 0.0, 6.125, , 0.0, 0.0, , 5.87755107879639, , , 0.0, 0.0, , , , , , , 0.0, , 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, , 0.0, , 2.0, , 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 41.1100006103516, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.4944448471069, 0.0, 0.0, 9.24582481384277, 0.0, 0.0, 108.0, 0.142857149243355, , 0.0, 0.0, 9.5502986907959, 2.87443280220032, , 0.0, 0.0, 8.32892513275146, 0.0, 0.0, 0.0, 0.0, 0.0, , 6.99655437469482, 4.16992521286011, 7.0, , 0.0, 412.029998779297, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 2.0, 0.0, , 0.0, 0.0, 0.428571432828903, , 0.0, 0.0, 0.0, , 1.0, , 0.0, , 2.40685200691223, 0.0, , , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.1080526933074, , 0.0, 0.0, 1.0, -0.00448999693617225, 0.0, , 0.0, 0.0, 0.0
InChI%3D1S%2FC17H22N2%2Fc1-18%282%2916-9-5-14%286-10-16%2913-15-7-11-17%2812-8-15%2919%283%294%2Fh5-12H%2C13H2%2C1-4H3, 0.0, 2.89393281936646 2.89393281936646, 2.48700189590454, 0.0202112141996622, 1.0, 0.0, 0.0, 3.25243210792542 3.25243210792542, 1.60180592536926, 0.0100406864657998, 0.0, 0.0, 3.60032296180725 3.60032296180725, 0.000955524446908385, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 94.0, 364.0, 1.37668943405151 1.37668943405151, 0.0, 0.0, 0.0, 0.0, 1.26497995853424 1.26497995853424, 0.0, 0.0, 0.0, 15.3900003433228, 0.0, 0.0, 1.19495368003845 1.19495368003845, 0.100000001490116, 7.13580226898193, 0.0, 0.0, 0.0, 0.0, 4.5, 0.16666667163372, 0.0, 0.0, 0.0, 0.214076176285744, 12.2203359603882, 0.0555555559694767, 6.58590936660767, 0.0641289129853249, , 1.53261888027191, 0.831987082958221, 0.0, 5.29852533340454, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.31372451782227, 0.0, 0.149071201682091, 0.0, 2.0595850944519, 4.0, 0.0, 0.0, 1.34905076026917, 0.0, 0.0, 0.0, 0.0, 0.846605122089386, 0.0, 6.48000001907349, 0.0, 0.462066680192947, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.7199764251709, 2.0, 0.0, 20.9971122741699, 0.0, 0.0, 816.0, 0.908560276031494, 1239.6875, 0.0, 0.0, 27.6647415161133, 6.56572437286377, 1389.14331054688, 0.0, 0.0, 26.6647415161133, 0.0, 0.0, 0.0, 0.0, 3.11060929298401, 1820.95654296875, 20.3323707580566, 5.24792766571045, 26.0, 1712.71203613281, 0.0, 1422.02001953125, 0.0, 1298.74731445312, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.0, 0.0, 13.8280630111694, 0.0, 0.0, 0.5, 9.05855083465576, 0.0, 0.0, 0.0, 1.40824830532074, 0.0, 8.28534698486328, 0.0, 0.0, 11.8767204284668, 0.0, 6.33510780334473, 0.333333343267441, 14.3116302490234, 0.0, 0.0, 4.65260648727417, 8.0, 0.0, 0.187342584133148, 0.0, 0.0, 0.0, 0.0, -0.124896734952927, 2.0, 3.58629703521729, 0.0, 0.0, 0.0
InChI%3D1S%2FC10Cl12%2Fc11-1-2%2812%297%2817%294%2814%293%2813%2C5%281%2C15%299%287%2C19%2920%296%281%2C16%2910%2821%2C22%298%282%2C4%2918, 0.0, 19.625 19.625, 9.125, -0.126361042261124, 0.0, 0.0, 12.0, 42.875 42.875, 6.140625, -0.694082379341125, 0.0, 0.0, 86.328125 86.328125, 0.196705862879753, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 172.0, 232.0, 23.7589130401611 23.7589130401611, 0.0, 0.0, 0.0, 0.0, 53.3493461608887 53.3493461608887, 0.0, 0.0, 0.0, 14.3520708084106, 0.125, 0.0, 110.983833312988 110.983833312988, 0.0, 2.33333325386047, 0.875, 0.0, 0.0, 0.125, 0.478709995746613, 3.5625, 0.941946685314178, 0.0, 0.0, 11.3125, 18.6067218780518, 4.06130933761597, 10.3033609390259, 13.5892601013184, , 0.0, 5.75434112548828, 0.0, 13.6068620681763, 0.0, 0.0, 0.0, 0.888375282287598, 0.0, 0.0, 17.2899150848389, 0.0, 8.13638210296631, 0.0, 15.9015398025513, 0.0, 3.53702473640442, 0.0, 13.7587175369263, 0.0, 0.0, 0.0, 0.0, 10.7297611236572, 0.0, 0.0, 0.0, 7.26495933532715, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 114.553039550781, 8.0, 0.0, 49.4208488464355, 0.0, 0.0, 680.0, 0.0, 4164.9453125, 0.0, 0.0, 133.881103515625, 0.0, 6187.4697265625, 10.0, 0.0, 318.319915771484, 0.0, 0.0, 0.0, 0.0, 0.0, 12246.8056640625, 321.417358398438, 5.45943164825439, 78.0, 13292.548828125, 0.0, 214.119995117188, 0.0, 6848.66748046875, 0.0, 0.0, 0.0, 0.0, 0.0, 25.576530456543, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 17.0, 0.0, 0.0, 0.333333343267441, 9.5, 0.0, 0.0, 0.0, 5.0, 0.0, 12.25, 0.0, 0.75, 0.0, 0.0, 15.0, 6.40625, 0.0, 0.0, 0.0, 13.75, 0.0, 0.0, 0.602841317653656, 2.6875, 0.0, 0.0, 0.0, 0.102716021239758, 0.0, 11.8125, 0.0, 0.0, 0.0
InChI%3D1S%2FC5H8N2O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-2H%2C3-5H2, , 0.492799282073975 0.492799282073975, 0.348461717367172, 0.0262137614190578, 3.0, 0.0, , 0.594861328601837 0.594861328601837, 0.144337564706802, -0.0205103885382414, , 0.0, 0.492799282073975 0.492799282073975, -0.00529392994940281, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 34.0, 60.0, 0.169270530343056 0.169270530343056, , 0.0, , 0.0, 0.167420729994774 0.167420729994774, 0.0, 0.0, 0.0, 6.125, 0.0, 0.0, 0.124555848538876 0.124555848538876, 0.0, 3.11111116409302, 0.0, 0.0, 0.0, 0.0, 1.79999995231628, 0.102062076330185, 0.0, 0.0, 0.0, 0.0721687823534012, 4.57869625091553, 0.0527046285569668, 2.66485953330994, 0.0235702265053988, , 0.0, 0.100000001490116, 0.0, 1.75435984134674, 0.0, 0.0, , 0.0, , 0.0, 1.15217506885529, 0.0, 0.0, , 0.703065752983093, 0.0, 0.0, 0.0, 0.425709664821625, , , , 0.0, 0.0743570029735565, , 32.6699981689453, 0.0, 0.0192450098693371, , 0.0, 0.0, 0.0, , 0.0, 9.49444484710693, 0.0, , 9.24582481384277, 0.0, , 64.0, 0.0, 319.698303222656, 0.0, 0.0, 10.218207359314, 0.0, 336.064819335938, 0.0, 0.0, 8.16273975372314, 0.0, 0.0, 0.0, , 0.0, 376.606994628906, 3.83036923408508, 4.0, 7.0, 254.740447998047, 0.0, 200.029998779297, 0.0, 77.1227722167969, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 2.0, 0.0, , , 0.0, 2.0, 0.0, 1.0, 1.0, 0.0, 5.81999111175537, , , 0.400000005960464, 3.9318516254425, 2.0, 0.0, 0.0, 0.20412415266037, 1.0, 2.91228413581848, 0.0, 0.0, 6.08364343643188, , 2.30209517478943, 0.0, 0.0, 0.0, , 1.59538793563843, 0.0, 0.0, 0.0660639554262161, 0.0, 0.0, 0.0, 1.0, -0.0370451211929321, 1.0, 1.10517168045044, 0.0, 0.0, 0.0
InChI%3D1S%2FC11H17F3N6O%2Fc12-11%2813%2C14%297-17-10%2816%2918-9-4-6-20%2819-9%295-2-1-3-8%2815%2921%2Fh4%2C6H%2C1-3%2C5%2C7H2%2C%28H2%2C15%2C21%29%28H3%2C16%2C17%2C18%2C19%29, 0.0, 2.19603204727173 2.19603204727173, 1.67722547054291, 0.0281930826604366, 7.0, 0.0, 0.0, 2.64943552017212 2.64943552017212, 1.36354494094849, 0.115501619875431, 0.0, 0.0, 3.03774213790894 3.03774213790894, -0.260361552238464, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 98.0, 444.0, 0.543943524360657 0.543943524360657, 0.0, 0.0, 0.0, 0.0, 0.640296638011932 0.640296638011932, 0.0, 0.0, 0.0, 19.0476188659668, 0.0, 0.0, 0.551119387149811 0.551119387149811, 0.0, 9.20918369293213, 0.117851130664349, 0.0, 0.0, 0.0, 9.58579921722412, 0.16666667163372, 0.0559016987681389, 1.0, 0.0, 0.165963649749756, 11.4252815246582, 0.0645284727215767, 6.50804281234741, 0.0581285208463669, , 0.598408460617065, 0.504339337348938, 0.0, 4.6284875869751, 0.0, 0.531329274177551, 0.0, 0.0190900880843401, 0.0, 0.0, 2.70034766197205, 0.0, 0.0, 0.0, 1.7373263835907, 0.0, 0.0, 0.0, 1.01635885238647, 0.0, 0.0, 0.0, 0.0, 0.560745537281036, 0.0, 107.589996337891, 0.0909090936183929, 0.362473607063293, 0.0, 1.27060055732727, 0.0, 0.0, 0.0, 0.365148365497589, 28.4405288696289, 0.0, 0.0, 24.9331035614014, 0.0, 0.0, 1197.0, 0.0, 964.361877441406, 3.0, 0.0, 38.0726661682129, 0.0, 1051.25830078125, 1.0, 0.0, 25.7217102050781, 0.0, 0.0, 0.0, 0.0, 0.0, 1306.33959960938, 25.2930908203125, 5.39231729507446, 21.0, 1065.79455566406, 0.0, 1180.09997558594, 0.0, 1032.16345214844, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 2.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 1.19055080413818, 0.0, 0.0, 1.21644043922424, 4.0, 0.0, 15.8804693222046, 0.0, 0.0, 0.5, 9.75983905792236, 0.0, 2.0, 0.0, 2.66583180427551, 1.0, 9.66361618041992, 0.0, 0.353553384542465, 6.35985279083252, 0.0, 5.41651582717896, 0.0, 5.5662636756897, 0.0, 0.0, 4.00667381286621, 0.0, 0.0, 0.617892742156982, 0.0, 1.138267993927, 0.0, 0.0, -0.349193751811981, 1.0, 2.9625608921051, 0.0, 3.0, 0.0
InChI%3D1S%2FC6H12N2O%2Fc1-6-4-2-3-5-8%286%297-9%2Fh6H%2C2-5H2%2C1H3%2Ft6-%2Fm1%2Fs1, , 1.06903564929962 1.06903564929962, 0.469913214445114, 0.0252738296985626, 4.0, 0.0, , 1.40829122066498 1.40829122066498, 0.176776692271233, -0.0169413592666388, , , 1.30473780632019 1.30473780632019, -0.00701768137514591, , 0.0, 0.666666686534882, , , , 40.0, 67.0, 0.570301592350006 0.570301592350006, , 0.0, , 0.0, 0.625612914562225 0.625612914562225, 0.0, 0.0, , 7.11111116409302, 0.0, , 0.617442071437836 0.617442071437836, 0.0, 3.23966932296753, 0.0, 0.0, , 0.0, 1.70414197444916, 0.0833333358168602, 0.0, 0.0, 0.0, 0.142258897423744, 5.7084527015686, 0.0645497217774391, 3.44259929656982, 0.0934172347187996, , 0.0, 0.264223843812943, 0.0, 2.58952522277832, 0.0, 0.0, , 0.0, , 0.0, 1.87278091907501, 0.0, 0.0577350258827209, , 1.20425724983215, 1.0, 0.0, , 0.766185581684113, , , , 0.0, 0.223913550376892, , 32.6699981689453, 0.0, 0.0524377413094044, , 0.0, 0.0, 0.0, , 0.0, 10.4944448471069, 0.0, , 10.2458248138428, 0.0, , 86.0, 0.0, 398.915283203125, 0.0, 0.0, 12.3843927383423, 1.3731781244278, 430.057098388672, 0.0, 0.0, 11.3289251327515, 0.0, 0.0, , , 1.0, 518.270385742188, 6.16246128082275, 4.16992521286011, 10.0, 402.396820068359, , 369.029998779297, 0.0, 145.331512451172, 0.0, , , 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 2.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 4.0, , 6.69023466110229, , , 0.400000005960464, 4.3425350189209, 0.0, 0.0, 0.0, 0.402368932962418, 1.0, 3.43006896972656, 1.0, 0.0, 3.96540641784668, , 2.81349611282349, 0.117851130664349, 2.14913988113403, 0.0, , 1.99955224990845, 0.0, 0.0, 0.0560911558568478, 0.0, 0.0, 0.0, 1.0, -0.0289624854922295, 1.0, 1.20977282524109, , , 0.0
InChI%3D1S%2FC8H12N2O3.Na%2Fc1-3-8%284-2%295%2811%299-7%2813%2910-6%288%2912%3B%2Fh3-4H2%2C1-2H3%2C%28H2%2C9%2C10%2C11%2C12%2C13%29%3B%2Fq%3B%2B1%2Fp-1, 0.0, 3.49267768859863 3.49267768859863, 1.22610127925873, 0.316851019859314, 2.0, 0.0, 0.0, 5.97511339187622 5.97511339187622, 0.272165536880493, -0.430734932422638, 0.0, 0.0, 5.40539932250977 5.40539932250977, 0.205825224518776, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 64.0, 230196192.0, 1.24318814277649 1.24318814277649, 0.0, 0.75, 0.0, 0.0, 1.42798316478729 1.42798316478729, 0.0, 0.0, 0.0, 14.0, 0.0, 0.0, 0.670113444328308 0.670113444328308, 0.0, 5.18559551239014, 0.0, 1.0, 0.0, 0.0, 2.34319519996643, 0.0481125228106976, 0.0, 1.0, 0.0, 0.212378948926926, 7.16410255432129, 0.0125000001862645, 3.94347858428955, 0.0283709429204464, , 1.5, 0.517601549625397, 0.0, 2.73080468177795, 0.0, 2.0800838470459, 0.0, 0.0625, 0.0, 0.0, 2.20224404335022, 0.0, 0.0603553391993046, 0.0, 1.15177392959595, 2.0, 0.0125000001862645, 0.0, 0.414876401424408, 0.0, 0.0, 0.0, 0.0, 0.197105392813683, 0.0, 85.0800018310547, 0.0, 0.043261032551527, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.7071685791016, 0.0, 0.0, 14.6610174179077, 0.0, 0.0, 13000000512.0, 0.25, 676.994506835938, 3.0, 0.0, 22.570405960083, 2.30940103530884, 777.989501953125, 1.0, 0.0, 27.3180313110352, 0.0, 0.0, 0.0, 0.0, 1.68686532974243, 1097.64660644531, 22.7555408477783, 4.80735492706299, 23.0, 1126.64318847656, 0.0, 394.059997558594, 1.0, 635.219299316406, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 2.0, 0.0, 10.0604782104492, 0.0, 0.0, 0.999000012874603, 6.06371450424194, 0.0, 0.0, 0.0, 1.22130084037781, 2.0, 5.31894159317017, 0.0, 0.0833333358168602, 0.5, 0.0, 4.79122352600098, 0.537457466125488, 2.38110160827637, 0.0, 0.0, 3.9022970199585, 0.0, 0.0, 0.482499718666077, 0.117851130664349, 2.0, 0.0, 1.0, -0.325132608413696, 0.0, 1.65565967559814, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H8N2O%2Fc1-3-5%282%294-6%2Fh3H2%2C1-2H3, , 0.577350258827209 0.577350258827209, 0.0, 0.0336116552352905, 1.0, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.0, -0.0252580642700195, , 0.0, 0.0 0.0, -0.00276192044839263, , 0.0, 1.0, 0.0, 0.0, 0.0, 20.0, 29.0, 0.199156388640404 0.199156388640404, 0.0, 0.0, 0.0, 0.0, 0.0577350258827209 0.0577350258827209, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0 0.0, 0.0, 3.20000004768372, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.00978231430054, 0.0, 1.85312235355377, 0.0, , 0.0, 0.141421362757683, 0.0, 1.05552649497986, 0.0, 0.0, , 0.0, , 0.0, 0.597033798694611, 0.0, 0.0, , 0.0577350258827209, 2.0, 0.0, 0.0, 0.0, , , , 0.0, 0.0, , 32.6699981689453, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 7.49444532394409, 0.0, , 6.24582433700562, 0.0, , 31.0, 0.333333343267441, 155.774703979492, 0.0, 0.0, 6.05202198028564, 1.41421353816986, 141.738693237305, 0.0, 0.0, 4.8303689956665, 0.0, 0.0, 0.0, , 0.0, 131.109191894531, 1.33209192752838, 3.58496260643005, 4.0, 81.178466796875, 0.0, 139.029998779297, 0.0, 14.9287261962891, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 2.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 4.99156379699707, , , 0.5, 2.80806040763855, 0.0, 0.0, 0.0, 0.288675129413605, 1.0, 1.92166829109192, 0.0, 0.0, 0.0, , 1.39384686946869, 0.0, 0.0, 0.0, 0.0, 0.288675129413605, 0.0, 0.0, 0.061939962208271, 0.0, 0.0, 0.0, 1.0, -0.0365616530179977, 1.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC27H50O6%2Fc1-4-7-10-13-16-19-25%2828%2931-22-24%2833-27%2830%2921-18-15-12-9-6-3%2923-32-26%2829%2920-17-14-11-8-5-2%2Fh24H%2C4-23H2%2C1-3H3, 0.0, 1.59381365776062 1.59381365776062, 2.70396375656128, 0.0470855385065079, 20.0, 3.0, 0.0, 1.94752335548401 1.94752335548401, 1.92675793170929, 0.157544001936913, 0.0, 0.0, 2.35234761238098 2.35234761238098, -0.254329353570938, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 134.0, 940.0, 0.39750462770462 0.39750462770462, 0.0, 0.409913837909698, 0.0, 0.0, 0.44918504357338 0.44918504357338, 0.0, 2.3459746837616, 0.0, 33.0, 0.0, 0.0, 0.460019141435623 0.460019141435623, 0.0, 25.1036739349365, 0.0, 0.0, 0.0, 0.0, 23.5102043151855, 0.0, 0.0, 0.0, 0.0, 0.0, 21.6689758300781, 0.0, 13.5362749099731, 0.0, , 1.60789358615875, 0.294627815485001, 0.0, 8.970534324646, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.61190223693848, 0.0, 0.0, 0.0, 3.49576735496521, 3.0, 0.0, 0.0, 2.15243649482727, 0.0, 0.0, 0.0, 0.0, 1.26703691482544, 0.0, 78.9000015258789, 0.0, 0.712800562381744, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 37.6468124389648, 0.0, 0.0, 34.988826751709, 0.908560276031494, 0.0, 4270.0, 0.155218034982681, 1573.60046386719, 3.0, 0.0, 40.6443252563477, 6.56653165817261, 1601.96435546875, 0.0, 0.0, 40.2019500732422, 0.0, 0.0, 0.0, 0.0, 1.19216275215149, 1722.99694824219, 41.423755645752, 6.04439401626587, 35.0, 1733.95104980469, 0.0, 5668.06005859375, 0.0, 1771.13940429688, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, , 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.0, 0.0, 24.5728569030762, 0.0, 0.0, 0.5, 16.0276050567627, 0.0, 0.0, 0.0, 1.07014954090118, 0.0, 12.180609703064, 1.0, 0.0, 0.0, 0.0, 8.27256107330322, 0.0, 14.6694717407227, 0.0, 0.0, 5.68509960174561, 0.0, 0.0, 0.829734861850739, 0.0, 0.0, 0.0, 3.0, -0.474552631378174, 0.0, 4.08136224746704, 0.0, 0.0, 0.0
InChI%3D1S%2FC39H41N3O6S2.Na%2Fc1-5-41%2827-29-9-7-11-37%2825-29%2949%2843%2C44%2945%2935-21-15-32%2816-22-35%2939%2831-13-19-34%2820-14-31%2940%283%294%2933-17-23-36%2824-18-33%2942%286-2%2928-30-10-8-12-38%2826-30%2950%2846%2C47%2948%3B%2Fh7-26H%2C5-6%2C27-28H2%2C1-4H3%2C%28H-%2C43%2C44%2C45%2C46%2C47%2C48%29%3B%2Fq%3B%2B1%2Fp-1, 0.0, 9.18268394470215 9.18268394470215, 7.80030679702759, 0.0845200568437576, 4.0, 0.0, 0.0, 12.594898223877 12.594898223877, 6.47599363327026, -0.00356050673872232, 0.0, 0.0, 16.6603031158447 16.6603031158447, -0.0484920851886272, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 264.0, 625817472.0, 3.58538460731506 3.58538460731506, 0.0, 1.77920365333557, 2.0, 0.0, 4.37698650360107 4.37698650360107, 0.0, 0.0, 0.0, 43.7242813110352, 0.0, 0.0, 4.79179859161377 4.79179859161377, 0.300000011920929, 19.732084274292, 0.0, 0.0, 0.0, 0.0, 11.9950017929077, 0.416666656732559, 0.0, 0.0, 0.0, 0.489859610795975, 28.8441791534424, 0.138888895511627, 17.7411422729492, 0.173610210418701, , 9.47722816467285, 1.82583975791931, 0.0, 13.4299240112305, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.51150321960449, 0.0, 0.30305951833725, 0.0, 6.51927137374878, 4.0, 0.0, 0.0, 4.45623636245728, 0.0, 0.0, 0.0, 0.0, 2.64727139472961, 0.0, 140.649993896484, 0.0, 1.82701981067657, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 71.6460723876953, 4.0, 0.0, 74.1736373901367, 0.0, 0.0, 50000011264.0, 0.622772395610809, 4230.73291015625, 3.0, 0.0, 92.9803619384766, 11.5299348831177, 4944.099609375, 0.0, 0.0, 95.3260955810547, 0.0, 0.0, 0.0, 0.0, 5.55773210525513, 6968.8466796875, 93.8275375366211, 6.67242527008057, 83.0, 7420.9365234375, 0.0, 6286.1201171875, 0.0, 7145.634765625, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 20.0, 0.0, 36.053466796875, 0.0, 0.0, 0.999000012874603, 23.7607192993164, 4.0, 0.0, 0.0, 5.20675182342529, 0.0, 22.8451671600342, 0.0, 0.577350258827209, 0.0, 0.0, 17.6946544647217, 1.36602544784546, 47.9925193786621, 0.0, 0.0, 14.1782999038696, 16.0, 0.0, 0.834670662879944, 0.288675129413605, 0.0, 0.0, 4.0, -0.474428564310074, 2.0, 11.7683525085449, 0.0, 0.0, 0.0
InChI%3D1S%2FC11H10N4.ClH%2Fc1-15-9-5-4-8-7%283-2-6-13-8%2910%289%2914-11%2815%2912%3B%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29%3B1H, 0.0, 2.9106605052948 2.9106605052948, 2.91870903968811, 0.108524136245251, 0.0, 0.0, 0.0, 4.71656513214111 4.71656513214111, 2.08540463447571, -0.0647538751363754, 0.0, 0.0, 6.74198770523071 6.74198770523071, 0.024546917527914, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 84.0, -359738400.0, 1.03717517852783 1.03717517852783, 0.0, 0.0, 0.0, 0.0, 1.38907468318939 1.38907468318939, 0.0, 0.0, 0.0, 12.4567470550537, 0.0, 0.0, 1.59772276878357 1.59772276878357, 0.0, 4.7039999961853, 0.0785674229264259, 0.0, 0.0, 0.0, 1.96604943275452, 0.39694020152092, 0.0279508493840694, 0.0, 0.0, 0.666987478733063, 9.5059232711792, 0.114389039576054, 4.74225807189941, 0.155846387147903, , 5.29611921310425, 0.431473314762115, 0.0, 3.56240057945251, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.7032482624054, 2.0, 0.113039240241051, 0.0, 1.87449431419373, 1.0, 0.0, 0.0, 1.25759768486023, 0.0, 0.0, 0.0, 0.0, 0.696886301040649, 0.0, 52.0099983215332, 0.0, 0.403339833021164, 0.0, 0.577350258827209, 0.0, 0.0, 0.0, 0.5, 25.1527061462402, 1.0, 0.0, 18.3294811248779, 0.0, 0.0, 15000000512.0, 0.0, 1044.33447265625, 1.0, 0.0, 27.2432613372803, 1.04397451877594, 1253.43103027344, 0.0, 0.0, 26.9942226409912, 0.0, 0.0, 0.0, 0.0, 1.67081260681152, 1846.97192382812, 19.5232849121094, 5.0, 25.0, 1721.62670898438, 0.0, 544.049987792969, 0.0, 1178.408203125, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.63245552778244, 7.0, 0.0, 10.4138488769531, 0.0, 0.0, 0.999000012874603, 7.2708568572998, 0.0, 1.0, 0.0, 1.00306725502014, 0.0, 6.68555355072021, 0.0, 0.0, 4.20685720443726, 0.0, 6.15541410446167, 0.393802672624588, 9.65257549285889, 1.0, 0.0, 5.16485643386841, 5.0, 0.0, 0.219338864088058, 0.0, 0.0, 0.0, 0.0, -0.172578155994415, 1.0, 4.26659250259399, 0.0, 0.0, 0.0
InChI%3D1S%2FC25H34O6%2Fc1-4-5-21-30-20-11-17-16-7-6-14-10-15%2827%298-9-23%2814%2C2%2922%2816%2918%2828%2912-24%2817%2C3%2925%2820%2C31-21%2919%2829%2913-26%2Fh8-10%2C16-18%2C20-22%2C26%2C28H%2C4-7%2C11-13H2%2C1-3H3%2Ft16-%2C17%3F%2C18-%2C20%2B%2C21%3F%2C22%3F%2C23-%2C24-%2C25%3F%2Fm0%2Fs1, 0.0, 9.07065677642822 9.07065677642822, 8.10901355743408, -0.148865908384323, 7.0, 2.0, 0.0, 17.7700443267822 17.7700443267822, 6.44278955459595, 0.0683140233159065, 0.0, 0.0, 28.0498905181885 28.0498905181885, 0.0495156832039356, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 184.0, 696.0, 5.95402526855469 5.95402526855469, 0.0, 0.858639419078827, 0.0, 0.0, 10.7596464157104 10.7596464157104, 0.0, 1.48225665092468, 0.0, 22.7755107879639, 0.0, 0.0, 15.4806823730469 15.4806823730469, 0.0, 7.76546621322632, 0.142258897423744, 2.0, 0.0, 0.0, 2.96932196617126, 0.605919063091278, 0.0867033451795578, 2.0, 0.0, 1.60370373725891, 18.6733207702637, 0.384256362915039, 11.8069734573364, 0.926156997680664, , 10.2642030715942, 2.25624179840088, 0.0, 10.7251672744751, 0.0, 10.1948347091675, 0.0, 0.214858189225197, 0.0, 0.0, 9.3713493347168, 0.0, 1.00078225135803, 0.0, 8.12291240692139, 3.0, 0.24469967186451, 0.0, 6.34432458877563, 0.0, 0.0, 0.0, 0.0, 4.81101322174072, 0.0, 93.0599975585938, 0.0, 3.5984263420105, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 35.6468124389648, 4.0, 0.0, 37.6567344665527, 0.5, 0.0, 2307.0, 0.388067483901978, 2794.22778320312, 3.0, 0.0, 62.423755645752, 5.96610927581787, 3580.66943359375, 3.0, 0.0, 77.5265960693359, 0.0, 0.0, 0.0, 0.0, 5.7691822052002, 5924.58447265625, 80.5191421508789, 5.95419645309448, 70.0, 6796.41455078125, 0.0, 3831.06005859375, 2.5337929725647, 6210.443359375, 0.0, 0.0, 0.0, 0.0, 0.0, 1.10520946979523, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 5.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 8.0, 0.0, 22.1814346313477, 0.0, 0.0, 0.5, 14.7075281143188, 3.0, 0.0, 0.0, 3.29683494567871, 0.0, 14.4314632415771, 6.0, 0.278838753700256, 9.40862560272217, 0.0, 13.324028968811, 1.59919655323029, 24.2679996490479, 0.0, 0.0, 12.3078746795654, 0.0, 0.0, 0.768288135528564, 0.428103029727936, 8.56809711456299, 0.0, 2.0, -0.299510478973389, 0.0, 10.3630285263062, 0.0, 0.0, 0.0
InChI%3D1S%2FC20H31NO6%2Fc1-6-13%284%2918%2823%2927-16-8-10-21-9-7-15%2817%2816%2921%2911-26-19%2824%2920%2825%2C12%282%293%2914%285%2922%2Fh6-7%2C12%2C14%2C16-17%2C22%2C25H%2C8-11H2%2C1-5H3%2Ft14%3F%2C16%3F%2C17-%2C20%3F%2Fm1%2Fs1, 0.0, 7.19047498703003 7.19047498703003, 3.14630675315857, -0.018900953233242, 4.0, 2.0, 0.0, 10.1089773178101 10.1089773178101, 2.45596694946289, 0.0220991708338261, 0.0, 0.0, 10.0242471694946 10.0242471694946, -0.0283710695803165, 0.0, 0.0, 0.857142865657806, 0.0, 0.0, 0.0, 138.0, 554.0, 3.07395648956299 3.07395648956299, 0.0, 1.04591155052185, 0.0, 0.0, 3.78436970710754 3.78436970710754, 0.0, 1.77620780467987, 0.0, 23.2806129455566, 0.0, 0.0, 3.11620116233826 3.11620116233826, 0.0, 9.66686534881592, 0.19245009124279, 0.0, 0.0, 0.0, 4.95074367523193, 0.383276641368866, 0.127240225672722, 2.0, 0.0, 0.594116032123566, 16.767162322998, 0.225366085767746, 9.4694938659668, 0.301487296819687, , 7.24357318878174, 1.3501250743866, 0.0, 7.65508651733398, 0.0, 2.57647395133972, 0.0, 0.0372678004205227, 0.0, 0.0, 5.6417179107666, 0.0, 0.470562428236008, 0.0, 3.62765455245972, 5.0, 0.060145765542984, 0.0, 1.82625269889832, 0.0, 0.0, 0.0, 0.0, 1.16705667972565, 0.0, 96.3000030517578, 0.0, 0.780718088150024, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 32.0068016052246, 2.0, 0.0, 31.1552925109863, 0.200000002980232, 0.0, 1953.0, 1.39262914657593, 1697.35424804688, 4.0, 0.0, 47.1987838745117, 4.42018032073975, 1977.16955566406, 1.0, 0.0, 54.3528060913086, 0.0, 0.0, 0.0, 0.0, 7.87068605422974, 2803.11279296875, 47.5783386230469, 5.75488758087158, 45.0, 2717.208984375, 0.0, 2779.07006835938, 1.28846752643585, 2305.40551757812, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 8.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 4.0, 0.0, 20.353006362915, 0.0, 0.0, 0.461538463830948, 12.6221523284912, 2.0, 0.0, 0.0, 2.46021509170532, 0.0, 11.7646322250366, 4.0, 0.0962250456213951, 4.49389934539795, 0.0, 10.2597179412842, 1.49619376659393, 12.5630760192871, 0.0, 0.0, 7.22895383834839, 0.0, 0.0, 0.830437839031219, 0.260491460561752, 1.00943446159363, 0.0, 2.0, -0.424937665462494, 1.0, 4.14679431915283, 0.0, 0.0, 0.0
InChI%3D1S%2FC5H10N4O2%2Fc10-6-8-2-1-3-9%287-11%295-4-8%2Fh1-5H2, 0.0, 0.985598564147949 0.985598564147949, 1.20710682868958, 0.039472121745348, 5.0, 0.0, 0.0, 1.15226519107819 1.15226519107819, 0.603553414344788, -0.023014223203063, 0.0, 0.0, 0.986532926559448 0.986532926559448, -0.0435129255056381, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 48.0, 112.0, 0.364492356777191 0.364492356777191, 0.0, 0.142857149243355, 0.0, 0.0, 0.378715604543686 0.378715604543686, 0.0, 0.0, 0.0, 9.09090900421143, 0.0, 0.0, 0.299803733825684 0.299803733825684, 0.333333343267441, 4.79289960861206, 0.0, 0.0, 0.0, 0.0, 2.84444451332092, 0.0, 0.0, 0.0, 0.0, 0.0, 6.14088487625122, 0.0, 3.53005933761597, 0.0, , 0.0, 0.200000002980232, 0.0, 2.42417883872986, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.67962336540222, 0.0, 0.0, 0.0, 1.0535089969635, 0.0, 0.0, 0.0, 0.648854851722717, 0.0, 0.0, 0.0, 0.0, 0.419041931629181, 0.0, 65.3399963378906, 0.0, 0.114640727639198, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 13.9888906478882, 0.0, 0.0, 13.4916486740112, 0.0, 0.0, 158.0, 0.0, 452.192657470703, 0.0, 0.0, 15.4364137649536, 0.0, 488.458953857422, 0.0, 0.0, 17.6854667663574, 0.0, 0.0, 0.0, 0.0, 0.0, 577.057800292969, 10.3807144165039, 4.45943164825439, 15.0, 623.486877441406, 0.0, 331.059997558594, 0.0, 248.72021484375, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.200000002980232, 0.0, 0.0, 2.0, 1.0, 0.0, 8.10444831848145, 0.0, 0.0, 0.428571432828903, 5.36370325088501, 0.0, 0.0, 0.0, 0.40824830532074, 2.0, 4.05680131912231, 0.0, 0.0, 5.23410606384277, 0.0, 3.36260867118835, 0.0, 0.0, 0.0, 0.0, 2.27177762985229, 0.0, 0.0, 0.125104576349258, 0.0, 0.0, 0.0, 2.0, -0.0555891506373882, 2.0, 1.5618349313736, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H6O2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4%2C7-8H, 0.0, 0.816496610641479 0.816496610641479, 0.333333343267441, -0.00775034911930561, 0.0, 0.0, 0.0, 0.760079681873322 0.760079681873322, 0.0, -0.00648776441812515, 0.0, 0.0, 1.13807117938995 1.13807117938995, -0.0681089013814926, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 36.0, 58.0, 0.172132596373558 0.172132596373558, 0.0, 0.200000002980232, 0.0, 0.0, 0.135756701231003 0.135756701231003, 0.0, 0.0, 0.0, 6.125, 0.0, 0.0, 0.137870818376541 0.137870818376541, 0.0, 2.51999998092651, 0.0, 0.0, 0.0, 0.0, 1.79999995231628, 0.0833333358168602, 0.0, 2.0, 0.0, 0.16666667163372, 4.20382833480835, 0.0277777779847383, 2.2685809135437, 0.0248451996594667, , 0.333333343267441, 0.149071201682091, 0.0, 1.51639783382416, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.849709272384644, 0.0, 0.0, 0.0, 0.452632397413254, 0.0, 0.0, 0.0, 0.286066293716431, 0.0, 0.0, 0.0, 0.0, 0.0496903993189335, 0.0, 40.4599990844727, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.54893779754639, 0.0, 0.0, 8.66418361663818, 0.0, 0.0, 62.0, 0.0, 308.535888671875, 0.0, 0.0, 11.3283681869507, 0.0, 328.346710205078, 0.0, 0.0, 8.32836818695068, 0.0, 0.0, 0.0, 0.0, 0.0, 387.7119140625, 2.66418385505676, 4.0, 7.0, 254.883850097656, 0.0, 140.020004272461, 0.0, 62.6283111572266, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 5.98312759399414, 0.0, 0.0, 0.400000005960464, 3.78769373893738, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 3.3650438785553, 0.0, 0.0, 3.30192732810974, 0.0, 2.30453038215637, 0.0, 5.65685415267944, 0.0, 0.0, 1.4267463684082, 4.0, 0.0, 0.151718497276306, 0.0, 0.0, 0.0, 0.0, -0.0436642058193684, 0.0, 1.30473780632019, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H11ClN2O%2Fc1-12%282%299%2813%2911-8-5-3-7%2810%294-6-8%2Fh3-6H%2C1-2H3%2C%28H%2C11%2C13%29, 0.0, 1.99129748344421 1.99129748344421, 1.00364136695862, 0.208984345197678, 0.0, 0.0, 1.0, 1.60202610492706 1.60202610492706, 0.59160703420639, -0.110226586461067, 0.0, 0.0, 2.31512570381165 2.31512570381165, -0.0174932423979044, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 60.0, 157.0, 0.673308968544006 0.673308968544006, 0.0, 0.0, 0.0, 0.0, 0.459647655487061 0.459647655487061, 0.0, 0.0, 0.0, 11.0769233703613, 0.0, 0.0, 0.55603301525116 0.55603301525116, 0.0, 5.02422142028809, 0.0, 0.0, 0.0, 0.0, 3.70370364189148, 0.0833333358168602, 0.0, 0.0, 0.0, 0.142258897423744, 8.29875659942627, 0.0277777779847383, 4.21047210693359, 0.0453859269618988, , 0.965489387512207, 0.541565895080566, 0.0, 3.26790857315063, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.75364923477173, 0.0, 0.0456435456871986, 0.0, 0.89448881149292, 2.0, 0.0, 0.0, 0.660433828830719, 0.0, 0.0, 0.0, 0.0, 0.272253513336182, 0.0, 32.3400001525879, 0.0, 0.112152680754662, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 22.2071990966797, 0.0, 0.0, 16.1147556304932, 0.0, 0.0, 268.0, 0.5, 706.278747558594, 1.0, 0.0, 22.7027645111084, 1.46059346199036, 765.173095703125, 0.0, 0.0, 20.730676651001, 0.0, 0.0, 0.0, 0.0, 1.56827390193939, 946.469360351562, 13.1144771575928, 4.70043992996216, 15.0, 801.541137695312, 0.0, 420.040008544922, 0.0, 540.240295410156, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 6.0, 0.0, 9.84493541717529, 0.0, 0.0, 0.5, 6.09222412109375, 0.0, 1.0, 0.0, 1.0618349313736, 0.0, 5.5829005241394, 0.0, 0.0, 3.30192732810974, 0.0, 3.97861790657043, 0.235702261328697, 6.29469060897827, 0.0, 0.0, 2.36276650428772, 4.0, 0.0, 0.284462541341782, 0.0, 0.0, 0.0, 1.0, -0.240545764565468, 1.0, 2.03083920478821, 0.0, 0.0, 0.0
InChI%3D1S%2FC16H16N2O4S%2Fc1-11%2819%2917-13-3-7-15%288-4-13%2923%2821%2C22%2916-9-5-14%286-10-16%2918-12%282%2920%2Fh3-10H%2C1-2H3%2C%28H%2C17%2C19%29%28H%2C18%2C20%29, 0.0, 4.1960277557373 4.1960277557373, 2.929039478302, 0.0279127079993486, 0.0, 0.0, 0.0, 6.05889081954956 6.05889081954956, 2.15078997612, -0.00210864096879959, 0.0, 0.0, 7.19888210296631 7.19888210296631, -0.0493556968867779, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 116.0, 492.0, 1.63656973838806 1.63656973838806, 0.0, 0.86079204082489, 1.0, 0.0, 1.96641826629639 1.96641826629639, 0.0, 0.0, 0.0, 19.3263893127441, 0.0, 0.0, 2.05671525001526 2.05671525001526, 0.0, 8.39273357391357, 0.0, 0.0, 0.0, 0.0, 5.5, 0.16666667163372, 0.0, 2.0, 0.0, 0.201184466481209, 13.0912628173828, 0.0555555559694767, 7.55947732925415, 0.0730179771780968, , 3.07406187057495, 0.959624290466309, 0.0, 5.90497207641602, 0.0, 0.0, 0.0, 0.0361295826733112, 0.0, 0.0, 3.87930035591125, 0.0, 0.166171491146088, 0.0, 2.61803865432739, 2.0, 0.0240863878279924, 0.0, 1.72007620334625, 0.0, 0.0, 0.0, 0.0, 1.01465225219727, 0.0, 107.699996948242, 0.0, 0.659902155399323, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 32.9456062316895, 0.0, 0.0, 33.7812957763672, 0.0, 0.0, 1336.0, 0.0714285746216774, 1667.73034667969, 2.0, 0.0, 45.5502052307129, 2.45641565322876, 1921.26965332031, 0.0, 0.0, 44.6648025512695, 0.0, 0.0, 0.0, 0.0, 2.29208898544312, 2679.2119140625, 39.6570434570312, 5.52356195449829, 34.0, 2684.82641601562, 0.0, 1094.06994628906, 0.0, 2304.10888671875, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.100000001490116, 0.0, 0.0, 0.0, 12.0, 0.0, 17.0351696014404, 0.0, 0.0, 0.5, 10.7857303619385, 0.0, 0.0, 0.0, 2.42410349845886, 2.0, 10.5157642364502, 0.0, 0.16666667163372, 8.69190216064453, 0.0, 7.40738010406494, 0.622008442878723, 14.4929752349854, 0.0, 0.0, 5.95100212097168, 8.0, 0.0, 0.450815588235855, 0.16666667163372, 0.0, 0.0, 2.0, -0.199079215526581, 0.0, 4.35023355484009, 0.0, 0.0, 0.0
InChI%3D1S%2FC14H9Cl5%2Fc15-11-5-1-9%282-6-11%2913%2814%2817%2C18%2919%2910-3-7-12%2816%298-4-10%2Fh1-8%2C13H, 0.0, 3.20785856246948 3.20785856246948, 2.3177433013916, 0.00970741640776396, 0.0, 0.0, 5.0, 5.42788887023926 5.42788887023926, 1.95164883136749, 0.00439169351011515, 0.0, 0.0, 7.53105354309082 7.53105354309082, 0.0354204550385475, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 98.0, 290.0, 2.37673115730286 2.37673115730286, 0.0, 0.0, 0.0, 0.0, 3.64608716964722 3.64608716964722, 0.0, 0.0, 0.0, 15.3900003433228, 0.0, 0.0, 4.33341360092163 4.33341360092163, 0.0, 6.18549346923828, 0.0, 0.0, 0.0, 0.0, 3.98615908622742, 0.16666667163372, 0.0, 0.0, 0.0, 0.262891709804535, 13.3656196594238, 0.0555555559694767, 7.34349346160889, 0.095069095492363, , 3.34162521362305, 2.48497605323792, 0.0, 7.31953859329224, 0.0, 1.99053585529327, 0.0, 0.420848786830902, 0.0, 0.0, 3.8926100730896, 0.0, 0.326477825641632, 0.0, 2.88878059387207, 0.0, 0.105212196707726, 0.0, 1.95020616054535, 0.0, 0.0, 0.0, 0.0, 1.02205514907837, 0.0, 0.0, 0.0, 0.878574252128601, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 57.5637664794922, 3.0, 0.0, 29.7586860656738, 0.0, 0.0, 678.0, 0.0, 1673.93530273438, 0.0, 0.0, 65.800422668457, 0.0, 1946.03723144531, 1.0, 0.0, 47.5173721313477, 0.0, 0.0, 0.0, 0.0, 0.0, 2693.67822265625, 55.3243217468262, 5.24792766571045, 28.0, 2666.55395507812, 0.0, 499.049987792969, 0.0, 2458.00244140625, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 14.0436058044434, 0.0, 0.0, 0.5, 8.8760290145874, 0.0, 0.0, 0.0, 2.37293410301208, 0.0, 8.93171310424805, 1.0, 0.288675129413605, 8.69190216064453, 0.0, 6.13676261901855, 0.38490018248558, 15.6241292953491, 0.0, 0.0, 5.08907318115234, 8.0, 0.0, 0.199437260627747, 0.0962250456213951, 2.30940103530884, 0.0, 0.0, -0.103399187326431, 0.0, 4.08747339248657, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H10N2O3%2Fc7-3-1-6%285-9%292-4-8%2Fh7-8H%2C1-4H2, , 0.492799282073975 0.492799282073975, 0.144337564706802, -0.0701884999871254, 4.0, 0.0, 0.0, 0.679412364959717 0.679412364959717, 0.0, 0.0912355184555054, , 0.0, 0.492799282073975 0.492799282073975, -0.0843341127038002, , 0.0, 1.0, 0.0, 0.0, 0.0, 32.0, 70.0, 0.182246178388596 0.182246178388596, 0.0, 0.56462162733078, 0.0, 0.0, 0.1709805727005 0.1709805727005, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.0705412477254868 0.0705412477254868, 0.0, 6.125, 0.0, 0.0, 0.0, 0.0, 4.5, 0.0, 0.0, 2.0, 0.0, 0.0, 5.0255298614502, 0.0, 2.64748525619507, 0.0, , 0.0, 0.100000001490116, 0.0, 1.48252630233765, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.831697821617126, 0.0, 0.0, , 0.424317121505737, 0.0, 0.0, 0.0, 0.136514842510223, 0.0, , , 0.0, 0.0223606806248426, 0.0, 73.129997253418, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 12.0433835983276, 0.0, 0.0, 9.91000843048096, 0.0, , 102.0, 0.0, 268.402252197266, 0.0, 0.0, 9.88239097595215, 0.0, 265.09375, 0.0, 0.0, 10.1034860610962, 0.0, 0.0, 0.0, , 0.0, 265.697113037109, 9.43529987335205, 4.16992521286011, 8.0, 229.585571289062, 0.0, 252.050003051758, 0.0, 159.579406738281, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 7.11288404464722, , , 0.5, 4.34606504440308, 0.0, 0.0, 0.0, 0.20412415266037, 1.0, 2.85162401199341, 0.0, 0.0, 2.94168281555176, , 1.9711971282959, 0.0, 0.0, 0.0, 0.0, 1.3690824508667, 0.0, 0.0, 0.250739067792892, 0.0, 0.0, 0.0, 1.0, -0.0786714255809784, 1.0, 0.696923434734344, 0.0, 0.0, 0.0
InChI%3D1S%2F2C2H4O2.Pb%2Fc2%2A1-2%283%294%3B%2Fh2%2A1H3%2C%28H%2C3%2C4%29%3B%2Fq%3B%3B%2B2%2Fp-2, 0.0, 0.0 0.0, 0.0, -0.00454985210672021, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 24.0, -884901888.0, 0.0 0.0, 0.0, 4.76220293421648e-06, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 16.0, 0.0, 0.0, 0.0 0.0, 0.0, 10.8888893127441, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 10.1013994216919, 0.0, 1.40824830532074, 0.0, , 9.99999971718069e-10, 0.0, 0.0, 0.40824830532074, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 80.2600021362305, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 308.75146484375, 0.0, 0.0, 7.32836771011353, 0.0, 0.0, 24000000000.0, 9.99999971718069e-10, 106.36775970459, 2.0, 0.0, 8.87730598449707, 0.0, 85.1973114013672, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.000126491111586802, 69.3822021484375, 0.0, 4.16992521286011, 0.0, 0.0, 0.0, 72.0500030517578, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.154700756073, 0.0, 0.0, 0.999000012874603, 3.46410155296326, 0.0, 0.0, 0.0, 1.15470051765442, 0.0, 3.46410155296326, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.542050421237946, 0.0, 0.0, 0.0, 2.0, -0.26647537946701, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC5H4O2%2Fc6-4-5-2-1-3-7-5%2Fh1-4H, 0.0, 0.492799282073975 0.492799282073975, 0.20412415266037, -0.113162949681282, 0.0, 0.0, 0.0, 0.594861328601837 0.594861328601837, 0.0, 0.13036136329174, 0.0, 0.0, 0.20412415266037 0.20412415266037, -0.0509975180029869, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 30.0, 44.0, 0.106345199048519 0.106345199048519, 0.0, 0.0, 0.0, 0.0, 0.100116394460201 0.100116394460201, 0.0, 0.333333343267441, 0.0, 5.14285707473755, 0.0, 0.0, 0.0185185186564922 0.0185185186564922, 0.0, 2.34375, 0.144337564706802, 0.0, 0.0, 0.0, 1.1851851940155, 0.102062076330185, 0.039283711463213, 0.0, 0.0, 0.102062076330185, 3.62589764595032, 0.0226804614067078, 1.91954565048218, 0.00925925932824612, , 0.0, 0.0680413842201233, 0.0, 1.13327074050903, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.659336924552917, 0.0, 0.0, 0.0, 0.358319312334061, 0.0, 0.0, 0.0, 0.084078885614872, 0.0, 0.0, 0.0, 0.0, 0.0185185186564922, 0.0, 30.2099990844727, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.54893779754639, 0.0, 0.0, 7.99627590179443, 0.0, 0.0, 43.0, 0.0, 216.849029541016, 0.0, 0.0, 9.32836818695068, 0.0, 229.107192993164, 0.0, 0.0, 5.10656118392944, 0.0, 0.0, 0.0, 0.0, 0.0, 260.798461914062, 2.66418385505676, 3.80735492706299, 4.0, 100.654312133789, 0.0, 79.0199966430664, 0.0, 39.8707580566406, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 5.11288404464722, 0.0, 0.0, 0.5, 3.4318516254425, 1.0, 0.0, 0.0, 0.20412415266037, 0.0, 2.55873084068298, 0.0, 0.0, 3.30192732810974, 0.0, 2.05209517478943, 0.0, 2.82842707633972, 0.0, 0.0, 1.41861128807068, 3.0, 0.0, 0.315179973840714, 0.0, 0.0, 1.0, 1.0, -0.123790875077248, 0.0, 0.492799282073975, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H4N2O2%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29, 0.0, 0.741581618785858 0.741581618785858, 0.451184451580048, 0.19734400510788, 0.0, 0.0, 0.0, 1.09341299533844 1.09341299533844, 0.0, -0.174203112721443, 0.0, 0.0, 1.02022004127502 1.02022004127502, 0.0597333461046219, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 36.0, 54.0, 0.110381416976452 0.110381416976452, 0.0, 0.25, 0.0, 0.0, 0.108120687305927 0.108120687305927, 0.0, 0.0, 0.0, 6.125, 0.0, 0.0, 0.0786290466785431 0.0786290466785431, 0.0, 2.51999998092651, 0.0, 0.0, 0.0, 0.0, 1.79999995231628, 0.0833333358168602, 0.0, 2.0, 0.0, 0.16666667163372, 3.94355487823486, 0.0166666675359011, 1.99824130535126, 0.01490711979568, , 0.5, 0.102456383407116, 0.0, 1.21483957767487, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.628162145614624, 0.0, 0.0, 0.0, 0.33919283747673, 0.0, 0.0, 0.0, 0.162909939885139, 0.0, 0.0, 0.0, 0.0, 0.0372678004205227, 0.0, 66.2399978637695, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.2689142227173, 0.0, 0.0, 9.32892513275146, 0.0, 0.0, 61.0, 0.0, 263.657318115234, 0.0, 0.0, 12.6848487854004, 0.0, 280.227416992188, 0.0, 0.0, 8.66073799133301, 0.0, 0.0, 0.0, 0.0, 0.0, 330.744384765625, 4.66002702713013, 4.0, 7.0, 220.843841552734, 0.0, 88.0400009155273, 0.0, 72.0808181762695, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 1.0, 0.0, 5.98312759399414, 0.0, 0.0, 0.25, 3.78769373893738, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 3.37694931030273, 0.0, 0.0, 1.0, 0.0, 2.19858479499817, 0.0, 2.14913988113403, 2.0, 0.0, 1.73736357688904, 2.0, 0.0, 0.286564260721207, 0.0, 0.0, 0.0, 0.0, -0.226156368851662, 0.0, 0.971404492855072, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H12N2O3%2Fc1-3-14-6-9%2812%2816%2917%2910%2815%298-5-4-7%282%2913-11%288%2914%2Fh4-6H%2C3H2%2C1-2H3%2C%28H%2C16%2C17%29, 0.0, 3.26715970039368 3.26715970039368, 3.02827024459839, 0.0299207977950573, 2.0, 0.0, 0.0, 5.18520259857178 5.18520259857178, 1.62775564193726, -0.383951812982559, 0.0, 0.0, 7.75214290618896 7.75214290618896, 0.393608003854752, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 88.0, 204.0, 1.17214870452881 1.17214870452881, 0.0, 0.944940805435181, 0.0, 0.0, 1.54383063316345 1.54383063316345, 0.0, 0.0, 0.0, 13.4320983886719, 0.0, 0.0, 2.00089716911316 2.00089716911316, 0.0, 5.32544374465942, 0.0, 0.0, 0.0, 0.0, 2.55999994277954, 0.113402299582958, 0.0, 1.0, 0.0, 0.314383894205093, 9.80440139770508, 0.0414556711912155, 5.53851985931396, 0.0965318158268929, , 6.63197565078735, 0.576763868331909, 0.0, 4.11751079559326, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.97862076759338, 0.0, 0.0959113389253616, 0.0, 2.02296876907349, 2.0, 0.0, 0.0, 1.48792099952698, 0.0, 0.0, 0.0, 0.0, 0.867717504501343, 0.0, 70.5, 0.0, 0.424282401800156, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.0433826446533, 2.0, 0.0, 19.8272018432617, 0.0, 0.0, 470.0, 0.16666667163372, 1048.52038574219, 2.0, 0.0, 29.4599361419678, 2.436678647995, 1239.33227539062, 0.0, 0.0, 32.9862174987793, 0.0, 0.0, 0.0, 0.0, 3.02611374855042, 1773.66137695312, 31.4238185882568, 5.08746290206909, 29.0, 1859.51965332031, 0.0, 752.049987792969, 0.0, 1463.32092285156, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 5.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.5, 3.0, 0.0, 12.5769853591919, 0.0, 0.0, 0.5, 8.04091262817383, 0.0, 0.0, 0.0, 1.3893735408783, 0.0, 7.41695213317871, 1.0, 0.0, 1.96925938129425, 0.0, 6.12906551361084, 0.416814535856247, 9.57081317901611, 1.0, 0.0, 5.04838275909424, 2.0, 0.0, 0.484933018684387, 0.0, 0.0, 0.0, 2.0, -0.172619238495827, 1.0, 4.15119504928589, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H, , 1.13807117938995 1.13807117938995, 0.333333343267441, -0.0821191072463989, 0.0, , , 1.04044008255005 1.04044008255005, 0.0833333358168602, 0.0340428240597248, , , 1.13807117938995 1.13807117938995, -0.00128189276438206, , 0.0, 0.333333343267441, , , , 36.0, 54.0, 0.206806227564812 0.206806227564812, , 0.333333343267441, , 0.0, 0.16243277490139 0.16243277490139, 0.0, 0.0, , 6.125, 0.0, , 0.137870818376541, 0.0, 2.51999998092651, 0.0, 0.0, , 0.0, 1.48760330677032, 0.0833333358168602, 0.0, , 0.0, 0.16666667163372, 4.20382833480835, 0.0277777779847383, 2.27456378936768, 0.0248451996594667, , 1.0, 0.129099443554878, 0.0, 1.48871433734894, 0.0, 0.0, , 0.0, , 0.0, 0.881731867790222, 0.0, 0.0166666675359011, , 0.464163094758987, 0.0, 0.0, , 0.259390205144882, , , , 0.0, 0.0496903993189335, , 40.4599990844727, 0.0, 0.00555555569007993, , 0.0, 0.0, 0.0, , 0.0, 9.54893779754639, 0.0, , 8.66418361663818, 0.0, , 60.0, 0.0, 310.432037353516, 0.0, 0.0, 11.3283681869507, 0.0, 331.359985351562, 0.0, 0.0, 10.1028366088867, 0.0, , , , 0.0, 393.240386962891, 2.66418385505676, 4.0, 8.0, 277.594329833984, , 140.020004272461, 0.0, 60.4979057312012, 2.0, , , 0.0, , 0.0, 0.0, , 0.0, , , 0.0, , , , 0.0, 0.0, , , 0.0, 0.0, , 0.0, 6.0, , 5.98312759399414, , , 0.25, 3.80453038215637, 0.0, , , 0.471404522657394, , 3.23902487754822, 0.0, 0.0, 3.96540641784668, , 2.54033637046814, 0.16666667163372, 4.29827976226807, , , 1.50166130065918, 4.0, , 0.166801989078522, 0.0, 0.0, , , -0.0340428240597248, , 1.02437734603882, , , 
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, 0.0, 3.72806739807129 3.72806739807129, 2.40543627738953, -0.0172312334179878, 0.0, 0.0, 0.0, 4.81010866165161 4.81010866165161, 1.08662402629852, 0.000906996545381844, 0.0, 0.0, 5.96599149703979 5.96599149703979, -0.0249314326792955, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 88.0, 262.0, 1.5121237039566 1.5121237039566, 0.0, 0.5, 1.0, 0.0, 1.69651734828949 1.69651734828949, 0.0, 0.0, 0.0, 13.4320983886719, 0.0, 0.0, 1.86147832870483 1.86147832870483, 0.0, 5.32544374465942, 0.0, 0.0, 0.0, 0.0, 3.0625, 0.16666667163372, 0.0, 0.0, 0.0, 0.25, 9.45710945129395, 0.0555555559694767, 5.79518699645996, 0.0802477896213531, , 1.53261888027191, 0.803003132343292, 2.0, 4.73720693588257, 0.0, 0.0, 0.0, 0.0361295826733112, 0.0, 0.0, 3.38425254821777, 0.0, 0.166171491146088, 0.0, 2.13867735862732, 0.0, 0.0240863878279924, 0.0, 1.49246180057526, 0.0, 0.0, 0.0, 0.0, 0.86309826374054, 0.0, 94.5599975585938, 0.100000001490116, 0.415875256061554, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 25.3966674804688, 0.0, 0.0, 26.784740447998, 0.0, 0.0, 516.0, 0.0, 1333.55053710938, 0.0, 0.0, 35.446720123291, 0.0, 1542.65600585938, 0.0, 0.0, 36.000617980957, 0.0, 0.0, 0.0, 0.0, 0.0, 2164.1015625, 26.3286762237549, 5.08746290206909, 26.0, 2088.74853515625, 0.0, 628.049987792969, 0.0, 1553.0087890625, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0, 0.0, 12.4662551879883, 0.0, 0.0, 0.5, 7.99803733825684, 0.0, 0.0, 0.0, 1.77670896053314, 0.0, 7.73495864868164, 0.0, 0.16666667163372, 8.69190216064453, 0.0, 6.1361083984375, 0.622008442878723, 12.3619976043701, 0.0, 0.0, 4.3415265083313, 8.0, 0.0, 0.209629982709885, 0.16666667163372, 0.0, 0.0, 2.0, -0.0475108176469803, 0.0, 3.3709614276886, 0.0, 0.0, 0.0
InChI%3D1S%2FC14H12N4O3S%2Fc19-8-7-15-13-9-3-1-2-4-10%289%2916-14%2817-13%2911-5-6-12%2822-11%2918%2820%2921%2Fh1-6%2C19H%2C7-8H2%2C%28H%2C15%2C16%2C17%29, 0.0, 3.23417472839355 3.23417472839355, 3.94917178153992, -0.0703167244791985, 2.0, 0.0, 0.0, 4.8136682510376 4.8136682510376, 2.80592155456543, 0.0892537087202072, 0.0, 0.0, 6.75077867507935 6.75077867507935, -0.100538149476051, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 1.0, 114.0, 397.0, 1.47375512123108 1.47375512123108, 0.0, 0.481411129236221, 0.0, 0.0, 1.90825271606445 1.90825271606445, 0.0, 0.0, 0.0, 16.84375, 0.0, 0.0, 2.14883351325989 2.14883351325989, 0.0, 7.71349859237671, 0.117851130664349, 0.0, 0.0, 0.0, 3.92561984062195, 0.274971663951874, 0.102062076330185, 1.0, 0.0, 0.528555750846863, 12.338547706604, 0.150389090180397, 7.52362155914307, 0.188246607780457, , 6.07259321212769, 0.671913862228394, 0.0, 5.74812269210815, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.31183767318726, 0.0, 0.114354111254215, 0.0, 3.07579255104065, 0.0, 0.0, 0.0, 2.05729293823242, 0.0, 0.0, 0.0, 0.0, 1.29907333850861, 0.0, 130.710006713867, 0.0, 0.790381729602814, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 31.89111328125, 1.0, 0.0, 29.9418907165527, 0.0, 0.0, 1059.0, 0.0, 1619.43774414062, 1.0, 0.0, 43.9430236816406, 0.0, 1928.32922363281, 0.0, 0.0, 45.7177848815918, 0.0, 0.0, 0.0, 0.0, 0.0, 2709.48608398438, 38.3542404174805, 5.45943164825439, 33.0, 2625.38354492188, 0.0, 982.080017089844, 0.0, 2369.89916992188, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 1.19055080413818, 0.0, 0.0, 0.536342144012451, 8.0, 0.0, 15.5267333984375, 0.0, 0.0, 0.454545468091965, 10.6858720779419, 0.0, 2.0, 0.0, 1.30274939537048, 1.0, 9.41941261291504, 1.0, 0.0, 7.03273344039917, 0.0, 7.83605909347534, 0.386082768440247, 13.9972095489502, 0.0, 0.0, 6.46786022186279, 6.0, 0.0, 0.404060304164886, 0.0, 0.0, 0.0, 2.0, -0.169136300683022, 0.0, 5.29105520248413, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H3N3O2S%2Fc4-3-5-1-2%289-3%296%287%298%2Fh1H%2C%28H2%2C4%2C5%29, 0.0, 1.38960480690002 1.38960480690002, 0.464615613222122, 0.017064917832613, 1.0, 0.0, 0.0, 1.48102939128876 1.48102939128876, 0.0, -0.0702171847224236, 0.0, 0.0, 1.5398815870285 1.5398815870285, -0.0103435898199677, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 42.0, 68.0, 0.685956180095673 0.685956180095673, 0.0, 0.5, 0.0, 0.0, 0.674776256084442 0.674776256084442, 0.0, 0.0, 1.0, 7.11111116409302, 0.0, 0.0, 0.380187124013901 0.380187124013901, 0.0, 2.72222232818604, 0.117851130664349, 0.0, 0.0, 0.0, 1.70414197444916, 0.185892507433891, 0.125, 0.0, 0.0, 0.20412415266037, 5.27291202545166, 0.118401698768139, 3.20462822914124, 0.0735943987965584, , 0.5, 0.419733047485352, 0.0, 2.7559826374054, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.91718125343323, 0.0, 0.0372678004205227, 0.0, 1.20842349529266, 0.0, 0.0, 0.0, 0.425992429256439, 0.0, 0.0, 0.0, 0.0, 0.109920993447304, 0.0, , 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.25, 17.7566547393799, 0.0, 0.0, 14.1112432479858, 0.0, 0.0, 87.0, 0.0, 458.732238769531, 1.0, 0.0, 22.1411895751953, 0.0, 511.059204101562, 0.0, 0.0, 14.6355266571045, 0.0, 0.0, 0.0, 0.0, 0.0, 636.030700683594, 7.13110399246216, 4.16992521286011, 8.0, 331.779632568359, 0.0, 124.059997558594, 0.0, 165.736129760742, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 6.85337114334106, 0.0, 0.0, 0.400000005960464, 4.19837713241577, 0.0, 1.0, 0.0, 0.788675129413605, 0.0, 3.92232084274292, 1.0, 0.0, 0.0, 0.0, 2.67818427085876, 0.16666667163372, 1.41421353816986, 0.0, 0.0, 1.85662066936493, 0.0, 0.0, 0.191486939787865, 0.0, 0.0, 0.0, 2.0, -0.0655553415417671, 0.0, 1.12507581710815, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H4N2O3S%2Fc10-9%2811%297-2-1-6%2812-7%295-3-13-4-8-5%2Fh1-4H, 0.0, 1.93999695777893 1.93999695777893, 1.59731233119965, -0.0762257650494576, 0.0, 0.0, 0.0, 2.45438528060913 2.45438528060913, 0.848921060562134, 0.15890571475029, 0.0, 0.0, 2.66758871078491 2.66758871078491, -0.0884038358926773, 0.0, 0.0, 0.75, 0.0, 0.0, 1.0, 66.0, 152.0, 0.440346926450729 0.440346926450729, 0.0, 0.5, 0.0, 0.0, 0.597615480422974 0.597615480422974, 0.0, 0.666666686534882, 0.0, 9.55102062225342, 0.0, 0.0, 0.494655221700668 0.494655221700668, 0.0, 4.02216053009033, 0.262188702821732, 0.0, 0.0, 0.0, 2.08333325386047, 0.219416096806526, 0.125307783484459, 0.0, 0.0, 0.389442652463913, 7.15331792831421, 0.0778684094548225, 4.34238147735596, 0.0824442580342293, , 1.65096366405487, 0.213447719812393, 0.0, 2.9873628616333, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.04299592971802, 0.0, 0.0239986199885607, 0.0, 1.43887102603912, 0.0, 0.0, 0.0, 0.649422585964203, 0.0, 0.0, 0.0, 0.0, 0.391107171773911, 0.0, 100.089996337891, 0.0, 0.201531767845154, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 22.1711368560791, 0.0, 0.0, 19.6092414855957, 0.0, 0.0, 250.0, 0.0, 692.462463378906, 0.0, 0.0, 26.2702007293701, 0.0, 791.564575195312, 0.0, 0.0, 19.2670211791992, 0.0, 0.0, 0.0, 0.0, 0.0, 1050.73413085938, 19.3852005004883, 4.70043992996216, 14.0, 698.206665039062, 0.0, 168.059997558594, 0.0, 632.132629394531, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.200000002980232, 4.0, 0.0, 9.25914859771729, 0.0, 0.0, 0.428571432828903, 6.2708568572998, 0.0, 0.0, 0.0, 0.833333313465118, 0.0, 5.62176561355591, 0.0, 0.0, 2.14426136016846, 0.0, 4.52305269241333, 0.25, 5.8319354057312, 1.0, 0.0, 3.51516914367676, 4.0, 0.0, 0.346709966659546, 0.0, 0.0, 1.0, 2.0, -0.167393684387207, 0.0, 2.05578207969666, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H11N3O%2Fc13-11-12-6-2-4-9%2812%298-3-1-5-10-7-8%2Fh1%2C3%2C5%2C7%2C9H%2C2%2C4%2C6H2, 0.0, 1.42949759960175 1.42949759960175, 1.39961671829224, 0.0318026170134544, 3.0, 0.0, 0.0, 2.47093868255615 2.47093868255615, 0.870627224445343, -0.0421247072517872, 0.0, 0.0, 2.85722470283508 2.85722470283508, 0.0364178828895092, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 64.0, 150.0, 0.674624979496002 0.674624979496002, 0.0, 0.0, 0.0, 0.0, 0.988320231437683 0.988320231437683, 0.0, 0.0, 0.0, 9.55102062225342, 0.0, 0.0, 0.893050968647003 0.893050968647003, 0.0, 4.48148155212402, 0.117851130664349, 0.0, 0.0, 0.0, 2.08333325386047, 0.253436774015427, 0.0912870913743973, 0.0, 0.0, 0.286596477031708, 7.2579607963562, 0.111313574016094, 4.41433906555176, 0.10412809252739, , 1.0, 0.26916179060936, 0.0, 3.18910694122314, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.39860916137695, 0.0, 0.0592965446412563, 0.0, 1.76104366779327, 0.0, 0.0, 0.0, 0.931074023246765, 0.0, 0.0, 0.0, 0.0, 0.457889795303345, 0.0, 45.560001373291, 0.0, 0.234466820955276, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.8544330596924, 1.0, 0.0, 15.5781946182251, 0.0, 0.0, 241.0, 0.0, 698.113159179688, 0.0, 0.0, 19.7167625427246, 0.0, 801.762329101562, 0.0, 0.0, 17.8274803161621, 0.0, 0.0, 0.0, 0.0, 0.0, 1056.57495117188, 16.0210056304932, 4.70043992996216, 16.0, 859.573547363281, 0.0, 469.040008544922, 0.0, 663.902526855469, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.200000002980232, 0.0, 0.0, 1.0, 5.0, 0.0, 9.09601211547852, 0.0, 0.0, 0.428571432828903, 6.41501474380493, 0.0, 0.0, 0.0, 0.469416111707687, 1.0, 5.1611762046814, 1.0, 0.0, 7.57547664642334, 0.0, 4.49757766723633, 0.136082768440247, 6.88320255279541, 1.0, 0.0, 3.75531578063965, 4.0, 0.0, 0.121242843568325, 0.0, 0.0, 0.0, 1.0, -0.0612588860094547, 1.0, 2.58075833320618, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29, , 1.05047678947449 1.05047678947449, 0.788991153240204, 0.0160901062190533, 0.0, , , 1.38447082042694 1.38447082042694, 0.532657027244568, -0.0116178514435887, , , 1.6854807138443, -0.0537859573960304, , 0.0, 0.75, , , , 50.0, 115.0, 0.259400397539139, , 0.142857149243355, , 0.0, 0.290459334850311, 0.0, 0.0, , 9.09090900421143, 0.0, , 0.271665543317795, , 4.13265323638916, 0.0, 0.0, , 0.0, 3.26530623435974, 0.0833333358168602, 0.0, , 0.0, 0.142258897423744, 6.15104198455811, 0.0277777779847383, 3.21579432487488, 0.0248451996594667, , 0.965489387512207, 0.249071195721626, , 2.17541480064392, 0.0, 0.0, , 0.0, , , 1.14061212539673, 0.0, 0.0, , 0.71400249004364, 1.0, 0.0, , 0.431203037500381, , , , 0.0, 0.141808107495308, , 52.8199996948242, 0.0, 0.0676819086074829, , 0.0, 0.0, 0.0, , 0.0, 12.9089260101318, 0.0, , 11.9965543746948, 0.0, , 166.0, 0.0, 492.451721191406, 1.0, 0.0, 16.0482978820801, 0.894427180290222, 529.390014648438, , 0.0, 12.3286466598511, 0.0, , , , 1.14471423625946, 645.596069335938, 9.16246128082275, 4.45943164825439, 11.0, 511.763366699219, , 290.029998779297, 0.0, 331.091003417969, 2.0, , , 0.0, , 0.0, 0.0, , 0.0, , , 1.0, , , , 1.0, 0.0, , , 0.0, 0.0, , 0.0, 6.0, , 8.26758480072021, , , 0.428571432828903, 5.18154048919678, 0.0, , , 0.901047587394714, , 4.75544691085815, 0.0, 0.0, 3.30192732810974, , 2.94016623497009, 0.0, 6.29469060897827, , , 2.23148417472839, 4.0, , 0.223567694425583, 0.0, 0.0, , , -0.105715855956078, , 1.74555850028992, , , 
InChI%3D1S%2FC10H12O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh4-6H%2C2-3%2C7H2%2C1H3, 0.0, 1.32770919799805 1.32770919799805, 1.60457706451416, 0.0865051746368408, 3.0, 2.0, 0.0, 2.12406396865845 2.12406396865845, 1.09054040908813, -0.00201316713355482, 0.0, 0.0, 2.34669089317322 2.34669089317322, -0.000186635719728656, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 60.0, 140.0, 0.473270982503891 0.473270982503891, 0.0, 0.0, 0.0, 0.0, 0.643812596797943 0.643812596797943, 0.0, 0.0, 0.0, 8.59171581268311, 0.0, 0.0, 0.595945954322815 0.595945954322815, 0.0, 3.80622839927673, 0.117851130664349, 0.0, 0.0, 0.0, 1.85950410366058, 0.234708055853844, 0.0294627826660872, 0.0, 0.0, 0.310301214456558, 7.16986751556396, 0.0580769516527653, 4.28429269790649, 0.0647992268204689, , 1.65096366405487, 0.235702261328697, 0.0, 2.93761372566223, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.9756555557251, 0.0, 0.0138888889923692, 0.0, 1.38513076305389, 1.0, 0.0, 0.0, 0.811331570148468, 0.0, 0.0, 0.0, 0.0, 0.448507010936737, 0.0, 18.4599990844727, 0.0, 0.258580714464188, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 13.5489377975464, 1.0, 0.0, 14.3283681869507, 0.5, 0.0, 197.0, 0.0, 613.731811523438, 0.0, 0.0, 19.1028366088867, 1.86186528205872, 692.272216796875, 0.0, 0.0, 15.3283681869507, 0.0, 0.0, 0.0, 0.0, 0.669432938098907, 906.129028320312, 10.9962759017944, 4.58496236801147, 14.0, 735.337097167969, 0.0, 493.019989013672, 0.0, 485.552154541016, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.0, 0.0, 8.38890552520752, 0.0, 0.0, 0.428571432828903, 5.89817810058594, 0.0, 0.0, 0.0, 0.537457466125488, 0.0, 4.91881608963013, 0.0, 0.0, 5.57554531097412, 0.0, 4.09520864486694, 0.0833333358168602, 8.83114051818848, 0.0, 0.0, 3.47019290924072, 3.0, 0.0, 0.344092339277267, 0.0, 0.0, 0.0, 0.0, -0.256348609924316, 0.0, 2.41545534133911, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H10N2O%2Fc1-3-6%284-2%295-7%2Fh3-4H2%2C1-2H3, , 0.61237245798111 0.61237245798111, 0.0, 0.0282179713249207, 2.0, 0.0, 0.0, 0.61237245798111 0.61237245798111, 0.0, -0.0203725434839725, , 0.0, 0.0 0.0, -0.00507174944505095, , 0.0, 1.0, 0.0, 0.0, 0.0, 24.0, 36.0, 0.240824833512306 0.240824833512306, 0.0, 0.0, 0.0, 0.0, 0.181649655103683 0.181649655103683, 0.0, 0.0, 0.0, 7.0, 0.0, 0.0, 0.0 0.0, 0.0, 4.16666650772095, 0.0, 0.0, 0.0, 0.0, 2.66666674613953, 0.0, 0.0, 0.0, 0.0, 0.0, 4.71688890457153, 0.0, 2.42924332618713, 0.0, , 0.0, 0.100000001490116, 0.0, 1.22055470943451, 0.0, 0.0, , 0.0, , 0.0, 0.845526337623596, 0.0, 0.0, , 0.339076846837997, 2.0, 0.0, 0.0, 0.0, , , , 0.0, 0.0, 0.0, 32.6699981689453, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 8.49444484710693, 0.0, , 7.24582433700562, 0.0, , 48.0, 0.25, 213.901000976562, 0.0, 0.0, 7.21820688247681, 2.30940103530884, 201.253967285156, 0.0, 0.0, 6.99655437469482, 0.0, 0.0, 0.0, , 0.0, 194.227340698242, 3.66418385505676, 3.80735492706299, 6.0, 154.646636962891, 0.0, 214.029998779297, 0.0, 58.4854698181152, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 5.69867038726807, , , 0.5, 3.34606528282166, 0.0, 0.0, 0.0, 0.20412415266037, 1.0, 2.09077024459839, 0.0, 0.0, 0.5, , 1.73205077648163, 0.0, 0.0, 0.0, 0.0, 0.866025388240814, 0.0, 0.0, 0.0585289783775806, 0.0, 0.0, 0.0, 1.0, -0.0320381671190262, 1.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC12H10N2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10H%2Fb14-13%2B, 0.0, 0.866025388240814 0.866025388240814, 1.28445708751678, -0.0621533803641796, 0.0, 0.0, 0.0, 1.18728744983673 1.18728744983673, 0.870790839195251, -0.00502108177170157, 0.0, 0.0, 1.33742988109589 1.33742988109589, 0.0115900654345751, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 66.0, 212.0, 0.238799259066582 0.238799259066582, 0.0, 0.0, 0.0, 0.0, 0.259384572505951 0.259384572505951, 0.0, 0.0, 0.0, 10.5155553817749, 0.0, 0.0, 0.236179545521736 0.236179545521736, 0.0, 5.77777767181396, 0.0, 0.0, 0.0, 0.0, 3.59183669090271, 0.20412415266037, 0.0, 0.0, 0.0, 0.144337564706802, 7.66792964935303, 0.0641500279307365, 4.46858072280884, 0.0286887660622597, , 0.333333343267441, 0.149071201682091, 0.0, 2.871098279953, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.79332733154297, 0.0, 0.0, 0.0, 1.10479164123535, 0.0, 0.0, 0.0, 0.694594323635101, 0.0, 0.0, 0.0, 0.0, 0.21729202568531, 0.0, 24.7199993133545, 0.0, 0.114548899233341, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.7199764251709, 0.0, 0.0, 15.6923589706421, 0.0, 0.0, 343.0, 0.0, 724.2197265625, 0.0, 0.0, 18.9971122741699, 0.0, 789.3232421875, 0.0, 0.0, 16.3294811248779, 0.0, 0.0, 0.0, 0.0, 0.0, 946.122192382812, 10.9971113204956, 4.80735492706299, 15.0, 786.245300292969, 0.0, 443.019989013672, 0.0, 535.936096191406, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 12.0, 0.0, 9.63998222351074, 0.0, 0.0, 0.444444447755814, 6.94948959350586, 0.0, 0.0, 0.0, 0.40824830532074, 2.0, 5.58542203903198, 0.0, 0.0, 12.7378730773926, 0.0, 4.43265295028687, 0.0, 7.16293048858643, 0.0, 0.0, 3.42303419113159, 10.0, 0.0, 0.100148089230061, 0.0, 0.0, 0.0, 0.0, 0.00117378542199731, 0.0, 2.70790815353394, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H4N2OS%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29, 0.0, 0.741581618785858 0.741581618785858, 0.451184451580048, 0.129353448748589, 0.0, 0.0, 0.0, 1.09341299533844 1.09341299533844, 0.0, -0.120852306485176, 0.0, 0.0, 1.02022004127502 1.02022004127502, 0.0450880602002144, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 36.0, 54.0, 0.20674255490303 0.20674255490303, 0.0, 0.0, 0.0, 0.0, 0.235394597053528 0.235394597053528, 0.0, 0.0, 0.0, 6.125, 0.0, 0.0, 0.176258653402328 0.176258653402328, 0.0, 2.51999998092651, 0.0, 0.0, 0.0, 0.0, 1.79999995231628, 0.0833333358168602, 0.0, 1.0, 0.0, 0.16666667163372, 4.83798217773438, 0.0166666675359011, 2.44545483589172, 0.0298142395913601, , 0.5, 0.191899105906487, 0.0, 1.61483955383301, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.843632221221924, 0.0, 0.0, 0.0, 0.508315861225128, 0.0, 0.0, 0.0, 0.229576617479324, 0.0, 0.0, 0.0, 0.0, 0.081989161670208, 0.0, 84.8099975585938, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 15.6221981048584, 0.0, 0.0, 10.666618347168, 0.0, 0.0, 61.0, 0.0, 386.681213378906, 0.0, 0.0, 15.8048448562622, 0.0, 407.735443115234, 0.0, 0.0, 11.336124420166, 0.0, 0.0, 0.0, 0.0, 0.0, 477.690734863281, 7.77965068817139, 4.0, 7.0, 323.662780761719, 1.0, 88.0400009155273, 0.0, 111.346000671387, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 1.0, 0.0, 5.98312759399414, 0.0, 0.0, 0.25, 3.78769373893738, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 3.37694931030273, 0.0, 0.0, 1.0, 0.0, 2.19858479499817, 0.0, 2.14913988113403, 2.0, 0.0, 1.73736357688904, 2.0, 0.0, 0.216258510947227, 0.0, 0.0, 0.0, 0.0, -0.161718457937241, 0.0, 0.971404492855072, 0.0, 0.0, 0.0
InChI%3D1S%2FC11H12N2O%2Fc1-9-8-11%2814%2913%2812%289%292%2910-6-4-3-5-7-10%2Fh3-8H%2C1-2H3, 0.0, 2.41709804534912 2.41709804534912, 1.43420565128326, -0.0786596909165382, 1.0, 0.0, 0.0, 4.08954620361328 4.08954620361328, 0.939397633075714, 0.0759623721241951, 0.0, 0.0, 5.36087369918823 5.36087369918823, -0.0334166027605534, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 72.0, 161.0, 1.11554861068726 1.11554861068726, 0.0, 0.0, 0.0, 0.0, 1.42955577373505 1.42955577373505, 0.0, 0.0, 0.0, 10.5155553817749, 0.0, 0.0, 1.57147467136383 1.57147467136383, 1.0, 4.24489784240723, 0.0785674229264259, 0.0, 0.0, 0.0, 2.02040815353394, 0.383125245571136, 0.040824830532074, 0.0, 0.0, 0.494860619306564, 8.47388362884521, 0.150803759694099, 4.80658578872681, 0.161230936646461, , 1.31037068367004, 0.48712956905365, 0.0, 3.66790556907654, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.66039371490479, 0.0, 0.141617596149445, 0.0, 1.7396684885025, 2.0, 0.0, 0.0, 1.02240478992462, 0.0, 0.0, 0.0, 0.0, 0.450016915798187, 0.0, 23.5499992370605, 0.0, 0.23628006875515, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 15.4944448471069, 0.0, 0.0, 16.3568210601807, 0.0, 0.0, 284.0, 0.333333343267441, 858.290710449219, 1.0, 0.0, 23.3812255859375, 2.60638952255249, 996.012573242188, 0.0, 0.0, 22.0485763549805, 0.0, 0.0, 0.0, 0.0, 2.44948983192444, 1381.72375488281, 17.8269233703613, 4.80735492706299, 20.0, 1212.3017578125, 0.0, 659.030029296875, 0.0, 883.114440917969, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.0, 0.0, 10.1293916702271, 0.0, 0.0, 0.428571432828903, 6.69837713241577, 0.0, 0.0, 0.0, 0.941632390022278, 0.0, 6.024827003479, 1.0, 0.0, 6.40992593765259, 0.0, 5.09948778152466, 0.334355771541595, 6.64172744750977, 0.0, 0.0, 4.26877164840698, 5.0, 0.0, 0.238110765814781, 0.0, 0.0, 0.0, 1.0, -0.0837511271238327, 2.0, 2.95054340362549, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H18N3OP%2Fc1-7%282%2911%2810%2C8%283%294%299%285%296%2Fh1-6H3, 0.0, 4.44337558746338 4.44337558746338, 0.0, 0.480397492647171, 0.0, 0.0, 0.0, 5.73205089569092 5.73205089569092, 0.0, -0.39861935377121, 0.0, 0.0, 3.65470051765442 3.65470051765442, 0.117924742400646, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 50.0, 62.0, 2.19077062606812 2.19077062606812, 0.0, 0.0, 0.0, 0.0, 3.13577365875244 3.13577365875244, 0.0, 0.0, 0.0, 11.0, 0.0, 0.0, 1.7806499004364 1.7806499004364, 1.5, 3.59999990463257, 0.0, 0.0, 1.0, 0.0, 1.9753086566925, 0.0, 0.0, 0.0, 0.0, 0.0, 8.42104530334473, 0.0, 3.85773015022278, 0.0, , 0.0, 1.12487936019897, 0.0, 3.91284251213074, 0.0, 0.0, 0.0, 0.0245071537792683, 0.0, 0.0, 2.34598922729492, 0.0, 0.508888065814972, 0.0, 1.61077451705933, 6.0, 0.0735214650630951, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 36.5999984741211, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.504846572876, 0.0, 0.0, 19.4545764923096, 0.0, 0.0, 142.0, 4.30761861801147, 448.139801025391, 0.0, 0.0, 27.213399887085, 0.0, 479.096496582031, 0.0, 0.0, 21.9867744445801, 0.0, 0.0, 0.0, 0.0, 0.0, 650.635986328125, 12.0, 4.45943164825439, 18.0, 650.445617675781, 0.0, 674.049987792969, 0.0, 379.755004882812, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.23205089569092, 0.0, 0.0, 0.5, 4.83012723922729, 0.0, 0.0, 0.0, 1.46225047111511, 0.0, 4.83012723922729, 0.0, 0.0962250456213951, 0.0, 0.0, 3.73205089569092, 1.28867518901825, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.330312192440033, 0.288675129413605, 0.0, 0.0, 1.0, -0.364858984947205, 3.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC18H14N4O5S%2Fc23-16-9-6-13%2811-15%2816%2918%2824%2925%2921-20-12-4-7-14%288-5-12%2928%2826%2C27%2922-17-3-1-2-10-19-17%2Fh1-11%2C23H%2C%28H%2C19%2C22%29%28H%2C24%2C25%29, 0.0, 4.73117160797119 4.73117160797119, 3.71394181251526, 0.0835226625204086, 0.0, 0.0, 0.0, 6.77989387512207 6.77989387512207, 2.47297692298889, -0.215260580182076, 0.0, 0.0, 8.36542320251465 8.36542320251465, -0.0441619642078876, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 144.0, 742.0, 1.46086871623993 1.46086871623993, 0.0, 1.48550200462341, 1.0, 0.0, 1.63575458526611 1.63575458526611, 0.0, 0.0, 0.0, 22.6800003051758, 0.0, 0.0, 1.65404915809631 1.65404915809631, 0.0, 10.3469390869141, 0.0, 0.0, 0.0, 0.0, 6.49750089645386, 0.253436774015427, 0.0, 2.0, 0.0, 0.32819864153862, 14.6787757873535, 0.0766792371869087, 8.70353507995605, 0.0824762955307961, , 4.64250040054321, 0.862017691135406, 0.0, 6.46647310256958, 0.0, 0.0, 0.0, 0.0361295826733112, 0.0, 0.0, 4.31261396408081, 0.0, 0.114895805716515, 0.0, 2.75133991241455, 0.0, 0.0120431939139962, 0.0, 1.7963433265686, 0.0, 0.0, 0.0, 0.0, 0.93691623210907, 0.0, 149.690002441406, 0.0, 0.509440064430237, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 39.4400520324707, 1.0, 0.0, 41.0832366943359, 0.0, 0.0, 2428.0, 0.0, 1867.69140625, 1.0, 0.0, 53.6796188354492, 0.0, 2147.57836914062, 0.0, 0.0, 55.6004219055176, 0.0, 0.0, 0.0, 0.0, 0.0, 2942.99926757812, 50.1462745666504, 5.80735492706299, 42.0, 2853.89599609375, 0.0, 1180.09997558594, 0.0, 2413.3935546875, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 1.40566754341125, 0.0, 0.0, 0.0, 14.0, 0.0, 20.1480541229248, 0.0, 0.0, 0.5, 13.3481740951538, 0.0, 1.0, 0.0, 2.51230525970459, 2.0, 12.5559740066528, 0.0, 0.20412415266037, 10.931378364563, 0.0, 9.69756984710693, 0.580769538879395, 16.0254917144775, 1.0, 0.0, 7.64509916305542, 11.0, 0.0, 0.622978508472443, 0.102062076330185, 0.0, 0.0, 3.0, -0.233594343066216, 0.0, 5.90492820739746, 0.0, 0.0, 0.0
InChI%3D1S%2FC2H3N3O%2Fc1-5%282-3%294-6%2Fh1H3, 0.0, 0.577350258827209 0.577350258827209, 0.0, 0.0653918832540512, 0.0, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.0, -0.091814711689949, 0.0, 0.0, 0.0 0.0, 0.0310735702514648, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 20.0, 29.0, 0.085546188056469 0.085546188056469, 0.0, 0.0, 0.0, 0.0, 0.0182574186474085 0.0182574186474085, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0 0.0, 0.0, 3.20000004768372, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 1.0, 0.0, 3.24988913536072, 0.0, 1.27700138092041, 0.0, , 0.0, 0.100000001490116, 0.0, 0.705256462097168, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.267195850610733, 0.0, 0.0, 0.0, 0.0182574186474085, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 56.4599990844727, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.5, 7.85443305969238, 0.0, 0.0, 6.41200971603394, 0.0, 0.0, 31.0, 0.0, 115.448028564453, 0.0, 0.0, 6.24582433700562, 0.5, 106.515022277832, 0.0, 0.0, 5.19035720825195, 0.0, 1.0, 0.0, 0.0, 0.0, 98.6348648071289, 1.55346596240997, 3.58496260643005, 4.0, 58.087703704834, 0.0, 34.0400009155273, 0.0, 9.7847318649292, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 4.99156379699707, 0.0, 0.0, 0.5, 2.80806040763855, 0.0, 0.0, 0.0, 0.288675129413605, 1.0, 1.92166829109192, 0.0, 0.0, 0.0, 0.0, 1.39384686946869, 0.0, 0.0, 0.0, 0.0, 0.288675129413605, 0.0, 0.0, 0.152077585458755, 0.0, 0.0, 0.0, 1.0, -0.0806895345449448, 1.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC10H10N2%2Fc11-9-5-1-3-7-8%289%294-2-6-10%287%2912%2Fh1-6H%2C11-12H2, 0.0, 1.94548285007477 1.94548285007477, 1.53337299823761, -0.00522417947649956, 0.0, 0.0, 0.0, 3.09814167022705 3.09814167022705, 1.00923633575439, 0.00389257352799177, 0.0, 0.0, 4.32624292373657 4.32624292373657, -0.0217534750699997, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 62.0, 108.0, 0.681285560131073 0.681285560131073, 0.0, 0.0, 0.0, 0.0, 0.897791862487793 0.897791862487793, 0.0, 0.0, 0.0, 8.59171581268311, 0.0, 0.0, 1.00145995616913 1.00145995616913, 0.0, 3.3950617313385, 0.0, 0.0, 0.0, 0.0, 1.5625, 0.136082768440247, 0.0, 0.0, 0.0, 0.310875236988068, 6.61880207061768, 0.0481125228106976, 3.81538414955139, 0.0796118155121803, , 3.96540641784668, 0.311004221439362, 2.0, 2.78960061073303, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.98952960968018, 2.0, 0.0689458549022675, 0.0, 1.35858237743378, 0.0, 0.0, 0.0, 0.871011316776276, 0.0, 0.0, 0.0, 0.0, 0.386894524097443, 0.0, 52.0400009155273, 0.200000002980232, 0.200391709804535, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.7199764251709, 2.0, 0.0, 13.3323707580566, 0.0, 0.0, 176.0, 0.0, 763.947143554688, 0.0, 0.0, 18.6647415161133, 0.0, 884.426574707031, 0.0, 0.0, 18.9971122741699, 0.0, 0.0, 0.0, 0.0, 0.0, 1210.79284667969, 12.9971113204956, 4.58496236801147, 18.0, 1122.134765625, 0.0, 397.019989013672, 0.0, 653.528442382812, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.0, 0.0, 8.55204200744629, 0.0, 0.0, 0.400000005960464, 5.7876935005188, 0.0, 0.0, 0.0, 0.743570029735565, 0.0, 5.14408445358276, 0.0, 0.0, 6.12046384811401, 0.0, 4.40559387207031, 0.248005643486977, 11.106315612793, 0.0, 0.0, 3.62037038803101, 6.0, 0.0, 0.0539553090929985, 0.0, 0.0, 0.0, 0.0, -0.016940001398325, 0.0, 2.80134654045105, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H19N3O2%2Fc1-3-5-7-10-9%2813%2912%2811-14%298-6-4-2%2Fh3-8H2%2C1-2H3%2C%28H%2C10%2C13%29, 0.0, 1.06903564929962 1.06903564929962, 0.892228543758392, 0.149410620331764, 6.0, 0.0, 0.0, 1.40829122066498 1.40829122066498, 0.319035589694977, -0.123417653143406, 0.0, 0.0, 1.32914566993713 1.32914566993713, 0.0534450300037861, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 54.0, 189.0, 0.225358620285988 0.225358620285988, 0.0, 0.25, 0.0, 0.0, 0.238058820366859 0.238058820366859, 0.0, 0.0, 0.0, 14.0, 0.0, 0.0, 0.22695592045784 0.22695592045784, 0.0, 9.55102062225342, 0.0, 0.0, 0.0, 0.0, 7.03999996185303, 0.0, 0.0, 1.0, 0.0, 0.0, 8.93974304199219, 0.0, 5.10006380081177, 0.0, , 0.0, 0.115432038903236, 0.0, 3.09361910820007, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.81778657436371, 0.0, 0.0141421351581812, 0.0, 0.904014766216278, 2.0, 0.0, 0.0, 0.505094707012177, 0.0, 0.0, 0.0, 0.0, 0.270228981971741, 0.0, 65.2600021362305, 0.0, 0.107621699571609, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 16.6289024353027, 0.0, 0.0, 14.9102869033813, 0.0, 0.0, 364.0, 0.100000001490116, 588.924133300781, 1.0, 0.0, 16.6851272583008, 3.15561699867249, 594.647888183594, 0.0, 0.0, 18.0727481842041, 0.0, 0.0, 0.0, 0.0, 0.400000005960464, 638.262268066406, 17.3213233947754, 4.80735492706299, 15.0, 631.818481445312, 0.0, 842.049987792969, 0.0, 554.420349121094, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 1.41421353816986, 4.0, 0.0, 10.8115549087524, 0.0, 0.0, 0.5, 6.75674867630005, 0.0, 0.0, 0.0, 0.402368932962418, 2.0, 4.78362226486206, 0.0, 0.0, 4.72176742553711, 0.0, 3.52060294151306, 0.117851130664349, 2.0800838470459, 0.0, 0.0, 2.30933880805969, 0.0, 0.0, 0.207670852541924, 0.0, 0.0, 0.0, 1.0, -0.169192403554916, 1.0, 1.34757030010223, 0.0, 0.0, 0.0
InChI%3D1S%2FC11H13N5O4%2Fc1-15%282%297-12-11-14-13-9%2820-11%295-3-8-4-6-10%2819-8%2916%2817%2918%2Fh3-6H%2C7H2%2C1-2H3%2C%28H%2C12%2C14%29%2Fb5-3%2B, 0.0, 2.52706789970398 2.52706789970398, 2.2778594493866, 0.238883510231972, 1.0, 1.0, 0.0, 2.96062827110291 2.96062827110291, 1.40636730194092, -0.094540148973465, 0.0, 0.0, 3.2269389629364 3.2269389629364, -0.0016165025299415, 0.0, 0.0, 0.857142865657806, 0.0, 0.0, 0.0, 98.0, 416.0, 0.579329073429108 0.579329073429108, 0.0, 0.5, 0.0, 0.0, 0.566222429275513 0.566222429275513, 0.0, 0.816496610641479, 0.0, 16.3718814849854, 0.0, 0.0, 0.466391086578369 0.466391086578369, 0.0909090936183929, 7.85204076766968, 0.235702261328697, 0.0, 0.0, 0.0, 5.37890625, 0.318041384220123, 0.0634834766387939, 0.0, 0.0, 0.419897556304932, 11.06849193573, 0.0650428757071495, 5.84202003479004, 0.0592920705676079, , 1.67667174339294, 0.587926506996155, 0.0, 4.28437471389771, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.28494334220886, 0.0, 0.00878410506993532, 0.0, 1.39404094219208, 2.0, 0.0, 0.0, 0.774913728237152, 0.0, 0.0, 0.0, 0.0, 0.418258160352707, 0.0, , 0.0, 0.229227945208549, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 24.8978157043457, 0.0, 0.0, 25.1247692108154, 0.200000002980232, 0.0, 994.0, 0.5, 948.643920898438, 1.0, 0.0, 34.3656005859375, 1.5201199054718, 1058.93017578125, 0.0, 0.0, 27.0650539398193, 0.0, 0.0, 0.0, 0.0, 1.14585161209106, 1366.640625, 23.7369327545166, 5.32192802429199, 22.0, 1059.92199707031, 0.0, 916.090026855469, 0.0, 979.227478027344, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 1.65096366405487, 2.0, 0.0, 1.15010142326355, 3.0, 0.0, 14.5351696014404, 0.0, 0.0, 0.461538463830948, 9.54171371459961, 2.0, 2.0, 0.0, 1.5206207036972, 1.0, 8.77682495117188, 1.0, 0.0, 3.02566862106323, 0.0, 6.30985593795776, 0.16666667163372, 7.10510301589966, 0.0, 0.0, 4.72464942932129, 2.0, 0.0, 0.629872679710388, 0.0, 0.0, 1.0, 2.0, -0.470638960599899, 1.0, 3.35837769508362, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H16N2O2S2%2Fc14-9%2810-1-5-12-6-2-10%2915-11-3-7-13-8-4-11%2Fh1-8H2, 0.0, 1.39616239070892 1.39616239070892, 1.40857458114624, -0.218888372182846, 8.0, 2.0, 0.0, 1.9997581243515 1.9997581243515, 0.946699976921082, 0.335050463676453, 0.0, 0.0, 2.49206042289734 2.49206042289734, -0.121891334652901, 0.0, 0.0, 0.800000011920929, 1.0, 0.0, 0.0, 72.0, 223.0, 1.58054578304291 1.58054578304291, 0.0, 0.0, 0.0, 0.0, 2.04629731178284 2.04629731178284, 0.0, 0.0, 1.0, 11.484375, 0.0, 0.0, 2.25974726676941 2.25974726676941, 0.333333343267441, 5.91499996185303, 0.0, 0.0, 0.0, 0.0, 3.5, 0.20412415266037, 0.0, 0.0, 0.0, 0.131094351410866, 10.3172674179077, 0.0912870913743973, 6.41568565368652, 0.0787234753370285, , 0.0, 0.721074879169464, 0.0, 5.22879409790039, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.9660632610321, 0.0, 0.167705103754997, 0.0, 2.90135836601257, 0.0, 0.0, 0.0, 1.93110454082489, 0.0, 0.0, 0.0, 0.0, 0.977958559989929, 0.0, 82.3300018310547, 0.0, 0.599136173725128, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 29.5244197845459, 0.0, 0.0, 23.6123294830322, 0.111111111938953, 0.0, 394.0, 0.0, 1196.32421875, 1.0, 0.0, 35.8535461425781, 0.0, 1334.7373046875, 0.0, 0.0, 31.5990962982178, 0.0, 0.0, 0.0, 0.0, 0.0, 1663.29089355469, 27.5719432830811, 4.90689039230347, 18.0, 1519.1923828125, 0.0, 814.059997558594, 0.0, 1155.04479980469, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.5102252960205, 0.0, 0.0, 0.444444447755814, 7.36017322540283, 0.0, 0.0, 0.0, 0.606493055820465, 0.0, 6.1151123046875, 0.0, 0.0, 7.8177809715271, 0.0, 4.88443088531494, 0.117851130664349, 2.74635624885559, 0.0, 0.0, 3.84427785873413, 0.0, 0.0, 0.516918659210205, 0.0, 0.0, 0.0, 0.0, -0.282930165529251, 2.0, 2.94460463523865, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H13NO2S%2Fc1-2-10-4-3-5%287%296%288%299%2Fh5H%2C2-4%2C7H2%2C1H3%2C%28H%2C8%2C9%29%2Ft5-%2Fm0%2Fs1, 0.0, 1.20710682868958 1.20710682868958, 0.394337564706802, -0.0597582273185253, 3.0, 0.0, 0.0, 0.617851138114929 0.617851138114929, 0.16666667163372, 0.0223692487925291, 0.0, 0.0, 0.603553414344788 0.603553414344788, -0.0409503616392612, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 38.0, 98.0, 0.251847326755524 0.251847326755524, 0.0, 0.5, 0.0, 0.0, 0.199702873826027 0.199702873826027, 0.0, 0.0, 1.0, 10.0, 0.0, 0.0, 0.206968367099762 0.206968367099762, 0.0, 5.76000022888184, 0.0, 0.0, 0.0, 0.0, 5.53086423873901, 0.0, 0.0, 1.0, 0.0, 0.0, 6.85622787475586, 0.0, 4.39714527130127, 0.0, , 1.0, 0.170555755496025, 1.0, 3.32417607307434, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.02714014053345, 0.0, 0.0215165745466948, 0.0, 1.18738877773285, 1.0, 0.0, 0.0, 0.670563280582428, 0.0, 0.0, 0.0, 0.0, 0.376270294189453, 0.0, 88.620002746582, 0.0, 0.106932736933231, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.036678314209, 0.0, 0.0, 13.169939994812, 0.0, 0.0, 143.0, 0.0, 506.337524414062, 1.0, 0.0, 15.1105937957764, 1.31037068367004, 495.255218505859, 0.0, 0.0, 12.6070861816406, 0.0, 0.0, 0.0, 0.0, 0.365148365497589, 499.298583984375, 10.4474334716797, 4.32192802429199, 9.0, 425.739562988281, 0.0, 394.040008544922, 0.0, 297.954071044922, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 7.98312759399414, 0.0, 0.0, 0.428571432828903, 4.680739402771, 0.0, 0.0, 0.0, 0.569035589694977, 0.0, 3.71708273887634, 1.0, 0.0, 1.65096366405487, 0.0, 2.40109062194824, 0.235702261328697, 2.40685200691223, 0.0, 0.0, 1.0496461391449, 0.0, 0.0, 0.267620921134949, 0.0, 0.0, 0.0, 1.0, -0.100243918597698, 0.0, 0.607710719108582, 0.0, 0.0, 0.0
InChI%3D1S%2FCH4N2S%2Fc2-1%283%294%2Fh%28H4%2C2%2C3%2C4%29, 0.0, 0.0 0.0, 0.0, 0.0112932361662388, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 12.0, 9.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.33333337306976, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.91899108886719, 0.0, 1.20949554443359, 0.0, , 0.0, 0.193649172782898, 1.0, 0.867046117782593, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 88.6699981689453, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.847728729248, 0.0, 0.0, 5.00215578079224, 0.0, 0.0, 9.0, 0.0, 154.223831176758, 1.0, 0.0, 7.58691644668579, 0.0, 128.027679443359, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 97.3420104980469, 0.0, 3.0, 0.0, 0.0, 1.0, 37.0299987792969, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.5773503780365, 0.0, 0.0, 0.5, 1.73205077648163, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 1.73205077648163, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0638763979077339, 0.0, 0.0, 0.0, 0.0, -0.043231438845396, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC5H6O2%2Fc6-4-5-2-1-3-7-5%2Fh1-3%2C6H%2C4H2, 0.0, 0.492799282073975 0.492799282073975, 0.20412415266037, -0.0934500396251678, 1.0, 0.0, 0.0, 0.594861328601837 0.594861328601837, 0.0, 0.107042357325554, 0.0, 0.0, 0.20412415266037 0.20412415266037, -0.0386559516191483, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 30.0, 44.0, 0.133492842316628 0.133492842316628, 0.0, 0.0, 0.0, 0.0, 0.126366481184959 0.126366481184959, 0.0, 0.333333343267441, 0.0, 5.14285707473755, 0.0, 0.0, 0.0248451996594667 0.0248451996594667, 0.0, 2.34375, 0.144337564706802, 0.0, 0.0, 0.0, 1.1851851940155, 0.102062076330185, 0.039283711463213, 1.0, 0.0, 0.102062076330185, 3.7946195602417, 0.0277777779847383, 2.06494927406311, 0.0124225998297334, , 0.0, 0.0833333358168602, 0.0, 1.23747742176056, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.735937893390656, 0.0, 0.0, 0.0, 0.402544885873795, 0.0, 0.0, 0.0, 0.107501164078712, 0.0, 0.0, 0.0, 0.0, 0.0248451996594667, 0.0, 33.3699989318848, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.54893779754639, 0.0, 0.0, 7.99627590179443, 0.0, 0.0, 43.0, 0.0, 228.301025390625, 0.0, 0.0, 9.32836818695068, 0.0, 239.709121704102, 0.0, 0.0, 5.10656118392944, 0.0, 0.0, 0.0, 0.0, 0.0, 272.952056884766, 2.66418385505676, 3.80735492706299, 4.0, 112.339195251465, 0.0, 127.019996643066, 0.0, 45.4687423706055, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 5.11288404464722, 0.0, 0.0, 0.5, 3.4318516254425, 0.0, 0.0, 0.0, 0.20412415266037, 0.0, 2.55873084068298, 0.0, 0.0, 3.30192732810974, 0.0, 2.05209517478943, 0.0, 2.82842707633972, 0.0, 0.0, 1.41861128807068, 3.0, 0.0, 0.262317299842834, 0.0, 0.0, 1.0, 0.0, -0.106095008552074, 0.0, 0.492799282073975, 0.0, 0.0, 0.0
InChI%3D1S%2FC16H15NO2%2Fc17-15-11-5-4-10-14%2815%2916%2818%2919-12-6-9-13-7-2-1-3-8-13%2Fh1-11H%2C12%2C17H2%2Fb9-6%2B, 0.0, 1.9326856136322 1.9326856136322, 1.73710739612579, 0.080242283642292, 1.0, 1.0, 0.0, 2.90577626228333 2.90577626228333, 1.12476408481598, -0.111036218702793, 0.0, 0.0, 3.3189857006073 3.3189857006073, 0.0705439150333405, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 90.0, 380.0, 0.562836349010468 0.562836349010468, 0.0, 0.0, 0.0, 0.0, 0.646886765956879 0.646886765956879, 0.0, 0.5, 0.0, 15.3900003433228, 0.0, 0.0, 0.592703223228455 0.592703223228455, 0.0, 8.32320022583008, 0.0, 0.0, 0.0, 0.0, 5.11999988555908, 0.185395404696465, 0.0, 0.0, 0.0, 0.203614637255669, 10.4518070220947, 0.0598527938127518, 6.0038890838623, 0.0484449155628681, , 2.19251728057861, 0.293393820524216, 1.0, 3.99876475334167, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.60123014450073, 0.0, 0.0360843911767006, 0.0, 1.63279724121094, 0.0, 0.0, 0.0, 0.984897911548615, 0.0, 0.0, 0.0, 0.0, 0.393091142177582, 0.0, 52.3199996948242, 0.0, 0.202849388122559, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.9089260101318, 2.0, 0.0, 21.1624603271484, 0.0, 0.0, 850.0, 0.0, 1051.7412109375, 1.0, 0.0, 27.1031150817871, 0.0, 1156.28894042969, 0.0, 0.0, 26.4911079406738, 0.0, 0.0, 0.0, 0.0, 0.0, 1424.09289550781, 22.2656688690186, 5.24792766571045, 24.0, 1304.24255371094, 0.0, 883.030029296875, 0.0, 973.392944335938, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 10.0, 0.0, 13.5017890930176, 0.0, 0.0, 0.5, 9.2708568572998, 2.0, 0.0, 0.0, 0.811611413955688, 0.0, 7.69137239456177, 0.0, 0.0, 15.8097629547119, 0.0, 6.15531015396118, 0.19245009124279, 12.5101585388184, 0.0, 0.0, 4.77952146530151, 9.0, 0.0, 0.304689258337021, 0.0, 0.0, 0.0, 1.0, -0.176944553852081, 0.0, 3.41786193847656, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H9NO6%2Fc8-4%289%291-7%282-5%2810%2911%293-6%2812%2913%2Fh1-3H2%2C%28H%2C8%2C9%29%28H%2C10%2C11%29%28H%2C12%2C13%29, 0.0, 1.06066012382507 1.06066012382507, 1.15470051765442, -0.24138905107975, 3.0, 0.0, 0.0, 1.9112309217453 1.9112309217453, 0.0, 0.63241720199585, 0.0, 0.0, 1.74740028381348 1.74740028381348, -0.122904643416405, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 54.0, 114.0, 0.323773354291916 0.323773354291916, 0.0, 3.1143274307251, 0.0, 0.0, 0.44395050406456 0.44395050406456, 0.0, 0.0, 0.0, 13.0, 0.0, 0.0, 0.307429105043411 0.307429105043411, 0.0, 6.45333337783813, 0.0, 0.0, 0.0, 0.0, 8.33333301544189, 0.0, 0.0, 3.0, 0.0, 0.0, 6.6349196434021, 0.0, 3.29253625869751, 0.0, , 0.75, 0.351763039827347, 0.0, 2.32637763023376, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.07660162448883, 0.0, 0.0, 0.0, 0.741566359996796, 0.0, 0.0, 0.0, 0.286930650472641, 0.0, 0.0, 0.0, 0.0, 0.122729115188122, 0.0, 115.139999389648, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.0068016052246, 0.0, 0.0, 14.4911079406738, 0.0, 0.0, 270.0, 0.0, 444.532653808594, 3.0, 0.0, 19.8145141601562, 0.0, 467.885620117188, 0.0, 0.0, 15.3207960128784, 0.0, 0.0, 0.0, 0.0, 0.0, 549.9990234375, 18.9851036071777, 4.70043992996216, 12.0, 473.473083496094, 0.0, 285.070007324219, 0.0, 470.404693603516, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.430721282959, 0.0, 0.0, 0.5, 5.9135913848877, 0.0, 0.0, 0.0, 1.42886900901794, 0.0, 5.75467252731323, 0.0, 0.0, 1.5, 0.0, 2.41421365737915, 0.0, 4.32674884796143, 0.0, 0.0, 2.28867506980896, 0.0, 0.0, 0.722767889499664, 0.0, 0.0, 0.0, 3.0, -0.352232396602631, 1.0, 1.15470051765442, 0.0, 0.0, 0.0
InChI%3D1S%2FC7H7NO2%2Fc1-6-2-4-7%285-3-6%298%289%2910%2Fh2-5H%2C1H3, 0.0, 1.44868838787079 1.44868838787079, 0.919957399368286, -0.0229504033923149, 0.0, 0.0, 0.0, 1.40419375896454 1.40419375896454, 0.19245009124279, -0.0154838729649782, 0.0, 0.0, 1.49826681613922 1.49826681613922, -0.00118221086449921, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 46.0, 88.0, 0.382407605648041 0.382407605648041, 0.0, 0.5, 0.0, 0.0, 0.314776986837387 0.314776986837387, 0.0, 0.0, 0.0, 8.10000038146973, 0.0, 0.0, 0.308771222829819 0.308771222829819, 0.0, 3.40828394889832, 0.0, 0.0, 0.0, 0.0, 2.28571438789368, 0.0833333358168602, 0.0, 0.0, 0.0, 0.131445854902267, 5.57311105728149, 0.0277777779847383, 2.91012239456177, 0.0402003787457943, , 0.333333343267441, 0.278470069169998, 0.0, 2.09265899658203, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.24478983879089, 0.0, 0.0124225998297334, 0.0, 0.666479587554932, 1.0, 0.0, 0.0, 0.441318511962891, 0.0, 0.0, 0.0, 0.0, 0.176395237445831, 0.0, 45.8199996948242, 0.0, 0.0202860198915005, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.9089260101318, 1.0, 0.0, 11.2731170654297, 0.0, 0.0, 120.0, 0.0, 407.972198486328, 0.0, 0.0, 14.7710237503052, 1.63299322128296, 443.266357421875, 0.0, 0.0, 12.660737991333, 0.0, 0.0, 0.0, 0.0, 1.0, 545.638305664062, 7.49455308914185, 4.32192802429199, 11.0, 422.005798339844, 0.0, 199.029998779297, 0.0, 187.31413269043, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 7.56047773361206, 0.0, 0.0, 0.5, 4.69837713241577, 0.0, 0.0, 0.0, 0.788675129413605, 0.0, 4.26396894454956, 0.0, 0.0, 3.30192732810974, 0.0, 3.00332260131836, 0.16666667163372, 5.65685415267944, 0.0, 0.0, 1.95252978801727, 4.0, 0.0, 0.065277062356472, 0.0, 0.0, 0.0, 2.0, 0.00701687997207046, 0.0, 1.44913530349731, 0.0, 0.0, 0.0
InChI%3D1S%2FC15H23ClO4S%2Fc1-12%2820-21%2817%2919-10-9-16%2911-18-14-7-5-13%286-8-14%2915%282%2C3%294%2Fh5-8%2C12H%2C9-11H2%2C1-4H3, 0.0, 3.03647613525391 3.03647613525391, 1.9871152639389, 0.0953354835510254, 3.0, 3.0, 1.0, 3.69977879524231 3.69977879524231, 1.31400775909424, 0.101077176630497, 0.0, 0.0, 3.85086345672607 3.85086345672607, -0.30966055393219, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 98.0, 449.0, 1.62727224826813 1.62727224826813, 0.0, 0.0, 0.0, 0.0, 1.62129259109497 1.62129259109497, 0.0, 1.10520946979523, 0.0, 19.0476188659668, 0.0, 0.0, 1.37304413318634 1.37304413318634, 0.0, 9.20918369293213, 0.0, 1.0, 0.0, 0.0, 7.70511293411255, 0.0833333358168602, 0.0, 0.0, 0.0, 0.100592233240604, 14.1420679092407, 0.0277777779847383, 7.93791484832764, 0.0252291187644005, , 0.793700516223907, 1.62704074382782, 0.0, 6.55531740188599, 0.0, 0.987950623035431, 0.0, 0.25, 0.0, 0.0, 3.33365607261658, 0.0, 0.25, 0.0, 2.01282811164856, 4.0, 0.0833333358168602, 0.0, 1.16123831272125, 0.0, 0.0, 0.0, 0.0, 0.648410320281982, 0.0, 63.9700012207031, 0.0, 0.389376282691956, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 37.9383811950684, 1.0, 0.0, 31.9493045806885, 0.965489387512207, 0.0, 1158.0, 1.41421353816986, 1296.94567871094, 0.0, 0.0, 37.6072654724121, 5.26461935043335, 1402.04064941406, 1.0, 0.0, 37.040454864502, 0.0, 0.0, 0.0, 0.0, 3.03957056999207, 1775.57885742188, 35.0936393737793, 5.39231729507446, 26.0, 1619.93371582031, 0.0, 1516.06005859375, 2.37841415405273, 1376.66442871094, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 7.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 15.8804693222046, 0.0, 0.0, 0.5, 9.82471752166748, 0.0, 0.0, 0.0, 2.29183745384216, 0.0, 9.24929904937744, 1.0, 0.288675129413605, 5.152099609375, 0.0, 5.99442720413208, 0.433012694120407, 7.09485530853271, 0.0, 0.0, 4.31254386901855, 4.0, 0.0, 0.547504484653473, 0.144337564706802, 1.61683428287506, 0.0, 1.0, -0.360172301530838, 0.0, 3.04027652740479, 1.0, 0.0, 0.0
InChI%3D1S%2FC17H13N3O3%2Fc1-11-6-8-14%2815%2810-11%2920%2822%2923%2918-19-17-13-5-3-2-4-12%2813%297-9-16%2817%2921%2Fh2-10%2C21H%2C1H3%2Fb19-18%2B, 0.0, 3.67789196968079 3.67789196968079, 3.55745267868042, -0.176842883229256, 0.0, 0.0, 0.0, 5.69190645217896 5.69190645217896, 2.48789691925049, -0.0821599587798119, 0.0, 0.0, 8.2508716583252 8.2508716583252, 0.12271886318922, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 0.0, 120.0, 432.0, 1.12336850166321 1.12336850166321, 0.0, 0.595275402069092, 0.0, 0.0, 1.40198600292206 1.40198600292206, 0.0, 0.0, 0.0, 17.8111991882324, 0.0, 0.0, 1.59609079360962 1.59609079360962, 0.0, 7.92000007629395, 0.0, 0.0, 0.0, 0.0, 4.15879011154175, 0.206930264830589, 0.0, 1.0, 0.0, 0.435882389545441, 12.3015031814575, 0.0726673752069473, 6.93564319610596, 0.11818939447403, , 6.72347736358643, 0.60898745059967, 0.0, 5.10370922088623, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.46463918685913, 2.0, 0.0820524021983147, 0.0, 2.31684756278992, 1.0, 0.0, 0.0, 1.57274162769318, 0.0, 0.0, 0.0, 0.0, 0.747436285018921, 0.0, 90.7699966430664, 0.0, 0.391768246889114, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 26.4033718109131, 3.0, 0.0, 27.2975673675537, 0.0, 0.0, 1204.0, 0.0, 1391.64685058594, 0.0, 0.0, 38.4323196411133, 1.4901704788208, 1630.95617675781, 0.0, 0.0, 41.7340431213379, 0.0, 0.0, 0.0, 0.0, 1.49918401241302, 2259.5751953125, 37.8409767150879, 5.52356195449829, 37.0, 2285.01586914062, 0.0, 938.059997558594, 0.0, 1815.47570800781, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.577350258827209, 13.0, 0.0, 16.3969764709473, 0.0, 0.0, 0.454545468091965, 11.0585508346558, 0.0, 0.0, 0.0, 1.59929239749908, 2.0, 10.0904054641724, 0.0, 0.0, 8.92957592010498, 0.0, 8.27890110015869, 0.423946142196655, 17.8824920654297, 0.0, 0.0, 6.83906745910645, 9.0, 0.0, 0.267821997404099, 0.0, 0.0, 0.0, 2.0, 0.0132055906578898, 0.0, 5.78041744232178, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H7ClN2%2Fc7-5-2-1-4%288%293-6%285%299%2Fh1-3H%2C8-9H2, 0.0, 1.47827804088593 1.47827804088593, 0.504473328590393, -0.028151236474514, 0.0, 0.0, 1.0, 1.55802857875824 1.55802857875824, 0.0680413842201233, -0.00781844090670347, 0.0, 0.0, 2.07593297958374 2.07593297958374, -0.0175044182687998, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 42.0, 67.0, 0.571411728858948 0.571411728858948, 0.0, 0.0, 0.0, 0.0, 0.458181768655777 0.458181768655777, 0.0, 0.0, 0.0, 7.11111116409302, 0.0, 0.0, 0.517970085144043 0.517970085144043, 0.0, 2.72222232818604, 0.0, 0.0, 0.0, 0.0, 1.70414197444916, 0.0680413842201233, 0.0, 0.0, 0.0, 0.20412415266037, 5.5206446647644, 0.0240562614053488, 2.88233089447021, 0.0550550147891045, , 1.65096366405487, 0.343221783638, 2.0, 2.18815040588379, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.3642612695694, 0.0, 0.0545544736087322, 0.0, 0.679777145385742, 0.0, 0.0, 0.0, 0.447884202003479, 0.0, 0.0, 0.0, 0.0, 0.123998917639256, 0.0, 52.0400009155273, 0.25, 0.0157485194504261, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.4327297210693, 0.0, 0.0, 11.2841081619263, 0.0, 0.0, 84.0, 0.0, 498.368713378906, 0.0, 0.0, 16.5682163238525, 0.0, 541.586669921875, 0.0, 0.0, 17.0104885101318, 0.0, 0.0, 0.0, 0.0, 0.0, 677.832336425781, 6.64409589767456, 4.16992521286011, 10.0, 513.872619628906, 0.0, 184.029998779297, 0.0, 178.294006347656, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 6.85337114334106, 0.0, 0.0, 0.400000005960464, 4.19837713241577, 0.0, 0.0, 0.0, 0.760079681873322, 0.0, 3.87279200553894, 0.0, 0.0, 1.65096366405487, 0.0, 2.86036610603333, 0.16666667163372, 5.85380077362061, 0.0, 0.0, 1.81676292419434, 3.0, 0.0, 0.102287016808987, 0.0, 0.0, 0.0, 0.0, -0.0191074348986149, 0.0, 1.33160018920898, 0.0, 0.0, 0.0
InChI%3D1S%2FC11H9BrO4.Na%2Fc1-16-8-4-2-7%283-5-8%2911%2815%299%2812%296-10%2813%2914%3B%2Fh2-6H%2C1H3%2C%28H%2C13%2C14%29%3B%2Fq%3B%2B1%2Fp-1%2Fb9-6%2B%3B, 0.0, 2.33566164970398 2.33566164970398, 1.4365941286087, 0.00835697446018457, 0.0, 1.0, 0.0, 3.09955525398254 3.09955525398254, 0.955023646354675, -0.00237563089467585, 0.0, 0.0, 3.64803600311279 3.64803600311279, -0.140134140849113, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 74.0, 1935228928.0, 0.906333386898041 0.906333386898041, 0.0, 0.814325273036957, 0.0, 0.0, 0.95846563577652 0.95846563577652, 0.0, 0.381571412086487, 0.0, 17.0, 0.0, 0.0, 0.918711602687836 0.918711602687836, 0.0, 8.16326522827148, 0.0, 0.0, 0.0, 0.0, 5.44444465637207, 0.0833333358168602, 0.0, 0.0, 0.0, 0.107038088142872, 9.57545757293701, 0.0277777779847383, 4.90131855010986, 0.0252291187644005, , 3.71151256561279, 0.485879093408585, 0.0, 3.5220890045166, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.34381031990051, 0.0, 0.0748741030693054, 0.0, 1.31993758678436, 1.0, 0.0, 0.0, 0.712014436721802, 0.0, 0.0, 0.0, 0.0, 0.345314562320709, 0.0, 66.4300003051758, 0.0, 0.205020904541016, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 66.0197525024414, 1.0, 0.0, 23.3131351470947, 0.0, 0.0, 16000000000.0, 0.0, 929.680236816406, 3.0, 0.0, 35.0723724365234, 1.22089838981628, 1031.15844726562, 0.0, 0.0, 42.4919700622559, 0.0, 0.0, 0.0, 0.0, 0.962657153606415, 1312.06335449219, 47.0218544006348, 5.08746290206909, 21.0, 1263.33935546875, 0.0, 304.059997558594, 0.0, 990.710144042969, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 5.0, 0.0, 12.1293916702271, 1.0, 0.0, 0.999000012874603, 7.54091262817383, 1.0, 0.0, 0.0, 1.20719146728516, 0.0, 6.65500354766846, 0.0, 0.0, 3.83851957321167, 0.0, 4.95308971405029, 0.232307806611061, 10.4897899627686, 0.0, 0.0, 3.54509949684143, 4.0, 0.0, 0.594376444816589, 0.0, 0.0, 0.0, 2.0, -0.260942935943604, 0.0, 2.34703993797302, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H9NO2%2Fc1-3-4%282%295%286%297%2Fh4H%2C3H2%2C1-2H3, 0.0, 1.27614235877991 1.27614235877991, 0.0, -0.0232067629694939, 1.0, 0.0, 0.0, 0.70710676908493 0.70710676908493, 0.0, -0.0162322614341974, 0.0, 0.0, 0.235702261328697 0.235702261328697, -0.000612844189163297, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 26.0, 36.0, 0.40510755777359 0.40510755777359, 0.0, 0.5, 0.0, 0.0, 0.179500222206116 0.179500222206116, 0.0, 0.0, 0.0, 7.0, 0.0, 0.0, 0.0304290316998959 0.0304290316998959, 0.0, 3.06122446060181, 0.0, 0.0, 0.0, 0.0, 2.66666674613953, 0.0, 0.0, 0.0, 0.0, 0.0, 4.54816722869873, 0.0, 2.31605267524719, 0.0, , 0.0, 0.225607335567474, 0.0, 1.54262375831604, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.950712203979492, 0.0, 0.0304290316998959, 0.0, 0.149071201682091, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 45.8199996948242, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.90892601013184, 0.0, 0.0, 7.27311706542969, 0.0, 0.0, 46.0, 0.333333343267441, 190.334350585938, 0.0, 0.0, 8.77102375030518, 1.41421353816986, 181.968902587891, 0.0, 0.0, 7.49455308914185, 0.0, 0.0, 0.0, 0.0, 1.41421353816986, 185.762710571289, 2.66418385505676, 3.80735492706299, 6.0, 131.272186279297, 0.0, 183.029998779297, 0.0, 33.8701324462891, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 5.86180734634399, 0.0, 0.0, 0.5, 3.18073916435242, 0.0, 0.0, 0.0, 0.569035589694977, 0.0, 2.62954902648926, 1.0, 0.0, 0.0, 0.0, 1.78202176094055, 0.235702261328697, 1.0, 0.0, 0.0, 0.471404522657394, 0.0, 0.0, 0.0654371082782745, 0.0, 0.0, 0.0, 2.0, 0.00733331497758627, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H12N2O4%2Fc1-5%2810%292-8%287-12%293-6%2811%294-9%2Fh6%2C9%2C11H%2C2-4H2%2C1H3, , 1.13087046146393 1.13087046146393, 0.514425337314606, -0.151188641786575, 3.0, 0.0, 0.0, 1.47633266448975 1.47633266448975, 0.136082768440247, 0.0760293453931808, , 0.0, 1.65812766551971 1.65812766551971, -0.0228726472705603, , 0.0, 0.75, 0.0, 0.0, 0.0, 48.0, 118.0, 0.328579634428024 0.328579634428024, 0.0, 1.16253924369812, 0.0, 0.0, 0.376882940530777 0.376882940530777, 0.0, 0.0, 0.0, 12.0, 0.0, 0.0, 0.285750776529312 0.285750776529312, 0.0, 6.50887584686279, 0.0, 0.0, 0.0, 0.0, 6.25, 0.0, 0.0, 2.0, 0.0, 0.0, 6.80402135848999, 0.0, 3.46363043785095, 0.0, , 0.25, 0.373437017202377, 0.0, 2.46720004081726, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.15289509296417, 0.0, 0.0, , 0.684782743453979, 1.0, 0.0, 0.0, 0.311187773942947, 0.0, , , 0.0, 0.135883405804634, 0.0, 90.1999969482422, 0.0, 0.0287457481026649, , 0.0, 0.0, 0.0, , 0.0, 15.8178520202637, 0.0, 0.0, 13.2421007156372, 0.0, , 221.0, 0.0, 424.297302246094, 1.0, 0.0, 15.8786668777466, 0.825481832027435, 438.856414794922, 0.0, 0.0, 15.5424184799194, 0.0, 0.0, 0.0, , 0.894427180290222, 496.5888671875, 15.3211364746094, 4.58496236801147, 12.0, 431.463012695312, 0.0, 397.059997558594, 0.0, 381.143371582031, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , , 0.0, 1.0, 0.0, 1.0, 1.0, 0.0, 9.56047821044922, , , 0.428571432828903, 5.59575414657593, 0.0, 0.0, 0.0, 0.901047587394714, 1.0, 4.65294504165649, 1.0, 0.0, 1.19055080413818, , 2.81471371650696, 0.0, 3.18138217926025, 0.0, 0.0, 1.83192729949951, 0.0, 0.0, 0.386862367391586, 0.0, 0.0, 0.0, 2.0, -0.0770431682467461, 1.0, 1.21026992797852, 0.0, 0.0, 0.0
InChI%3D1S%2FC10HCl11%2Fc11-2-1-3%2812%295%2814%294%281%2C13%2910%2820%2C21%297%282%2C16%298%285%2C17%296%282%2C15%299%283%2C18%2919%2Fh1H, 0.0, 17.9416656494141 17.9416656494141, 8.92353630065918, -0.113140396773815, 0.0, 0.0, 11.0, 37.7298583984375 37.7298583984375, 6.01158380508423, -0.516125321388245, 0.0, 0.0, 74.986930847168 74.986930847168, 0.0987905934453011, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 164.0, 218.0, 21.6349868774414 21.6349868774414, 0.0, 0.0, 0.0, 0.0, 46.4662895202637 46.4662895202637, 0.0, 0.0, 0.0, 13.4399995803833, 0.134668782353401, 0.0, 95.3409118652344 95.3409118652344, 0.0, 2.22222232818604, 0.875347077846527, 0.0, 0.0, 0.134668782353401, 0.473372787237167, 3.41489005088806, 0.937809228897095, 0.0, 0.0, 10.5035638809204, 17.550178527832, 3.85983943939209, 9.85243892669678, 12.4850835800171, , 0.0, 5.49936676025391, 0.0, 13.0620403289795, 0.0, 5.41988611221313, 0.0, 0.850397050380707, 0.0, 0.0, 15.9948968887329, 0.0, 7.32742929458618, 0.0, 14.6378126144409, 0.0, 3.20014452934265, 0.0, 13.1021499633789, 0.0, 0.0, 0.0, 0.0, 10.4271688461304, 0.0, 0.0, 0.0, 7.06581735610962, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 105.840286254883, 8.0, 0.0, 46.4691123962402, 0.0, 0.0, 612.0, 0.0, 3737.89013671875, 0.0, 0.0, 125.025894165039, 0.0, 5521.00732421875, 9.0, 0.0, 277.422973632812, 0.0, 0.0, 0.0, 0.0, 0.0, 10761.94140625, 257.476348876953, 5.39231729507446, 70.0, 11185.0244140625, 0.0, 256.109985351562, 0.0, 5540.1494140625, 0.0, 0.0, 0.0, 0.0, 0.0, 20.1674957275391, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 16.0773506164551, 0.0, 0.0, 0.5, 9.1160249710083, 0.0, 0.0, 0.0, 4.779700756073, 0.0, 11.7900638580322, 1.0, 0.716506361961365, 0.0, 0.0, 13.9834394454956, 5.76606512069702, 0.0, 0.0, 0.0, 12.7873115539551, 0.0, 0.0, 0.537679433822632, 2.41790843009949, 0.0, 0.0, 0.0, 0.0640422403812408, 0.0, 11.3360023498535, 0.0, 0.0, 0.0
InChI%3D1S%2FC11H14N2O4%2Fc12-10%2814%2916-6-9%287-17-11%2813%2915%298-4-2-1-3-5-8%2Fh1-5%2C9H%2C6-7H2%2C%28H2%2C12%2C14%29%28H2%2C13%2C15%29, 0.0, 1.52015936374664 1.52015936374664, 1.70748269557953, 0.255309194326401, 2.0, 2.0, 0.0, 1.80274939537048 1.80274939537048, 1.04676640033722, -0.124336294829845, 0.0, 0.0, 2.38158059120178 2.38158059120178, 0.164827808737755, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 76.0, 213.0, 0.596261382102966 0.596261382102966, 0.0, 0.125, 0.0, 0.0, 0.661472856998444 0.661472856998444, 0.0, 1.15470051765442, 0.0, 15.0588235855103, 0.0, 0.0, 0.678584933280945 0.678584933280945, 0.0, 8.16326522827148, 0.0, 0.0, 0.0, 0.0, 6.47933864593506, 0.102062076330185, 0.0, 2.0, 0.0, 0.0589255653321743, 9.0892391204834, 0.0320750139653683, 4.94866752624512, 0.0185185186564922, , 1.94416129589081, 0.331849694252014, 0.0, 3.33992052078247, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.11344957351685, 0.0, 0.0481125228106976, 0.0, 1.32482039928436, 0.0, 0.0, 0.0, 0.859748303890228, 0.0, 0.0, 0.0, 0.0, 0.396211087703705, 0.0, 106.620002746582, 0.125, 0.196899726986885, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.8178520202637, 2.0, 0.0, 19.3249225616455, 0.25, 0.0, 564.0, 0.0, 813.869079589844, 2.0, 0.0, 25.4269866943359, 0.0, 889.7373046875, 0.0, 0.0, 21.3249225616455, 0.0, 0.0, 0.0, 0.0, 0.0, 1095.99645996094, 21.0993919372559, 5.08746290206909, 19.0, 1047.97192382812, 0.0, 689.059997558594, 0.0, 919.112365722656, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 12.6733617782593, 0.0, 0.0, 0.5, 8.09222412109375, 0.0, 0.0, 0.0, 1.14982986450195, 0.0, 7.10056400299072, 1.0, 0.0, 8.56995296478271, 0.0, 4.54611206054688, 0.0833333358168602, 9.42196369171143, 0.0, 0.0, 3.31613230705261, 5.0, 0.0, 0.505027949810028, 0.0, 0.0, 0.0, 0.0, -0.423970252275467, 0.0, 2.74084258079529, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H8O2%2Fc1-2-6-4-3-5-1%2Fh1-4H2, 0.0, 0.0 0.0, 0.0, -0.181732878088951, 4.0, 2.0, 0.0, 0.0 0.0, 0.0, 0.181732878088951, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 24.0, 36.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.16666650772095, 0.0, 0.0, 0.0 0.0, 0.0, 2.22222232818604, 0.0, 0.0, 0.0, 0.0, 1.33333337306976, 0.125, 0.0, 0.0, 0.0, 0.0, 3.6449236869812, 0.0416666679084301, 2.15470051765442, 0.0, , 0.0, 0.0, 0.0, 1.22474491596222, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.744016945362091, 0.0, 0.0, 0.0, 0.439826399087906, 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.4599990844727, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.54893827438354, 0.0, 0.0, 7.32836771011353, 0.333333343267441, 0.0, 27.0, 0.0, 169.214233398438, 0.0, 0.0, 7.32836771011353, 0.0, 169.141845703125, 0.0, 0.0, 3.77446913719177, 0.0, 0.0, 0.0, 0.0, 0.0, 169.141845703125, 0.0, 3.58496260643005, 3.0, 84.6071166992188, 0.0, 166.020004272461, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.24264049530029, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.12132024765015, 0.0, 0.0, 3.30192732810974, 0.0, 1.5, 0.0, 0.0, 0.0, 0.0, 1.06066012382507, 0.0, 0.0, 0.363465756177902, 0.0, 0.0, 0.0, 0.0, -0.181732878088951, 0.0, 0.75, 0.0, 0.0, 0.0
InChI%3D1S%2FCd.2ClH%2Fh%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2, 0.0, 0.0 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0 0.0, , 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 105.021179199219, 0.0, 0.0, 0.0, 0.0, 0.0, 3000000000.0, 0.0, 10.9792976379395, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.58496260643005, 0.0, 0.0, 0.0, 6.03000020980835, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.999000012874603, , 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0
InChI%3D1S%2FC6H5NO2%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H, , 1.04044008255005 1.04044008255005, 0.451184451580048, -0.0229502823203802, 0.0, , , 1.05473780632019 1.05473780632019, 0.235702261328697, -0.0154836475849152, , , 1.04044008255005 1.04044008255005, -0.00118250551167876, , 0.0, 0.666666686534882, , , , 40.0, 69.0, 0.189957499504089 0.189957499504089, , 0.5, , 0.0, 0.16965363919735 0.16965363919735, 0.0, 0.0, , 7.11111116409302, 0.0, , 0.12663833796978, 0.0, 3.23966932296753, 0.0, 0.0, , 0.0, 2.0, 0.102062076330185, 0.0, , 0.0, 0.0589255653321743, 4.65046167373657, 0.0320750139653683, 2.49943876266479, 0.0143443830311298, , 0.0, 0.111803397536278, 0.0, 1.59265899658203, 0.0, 0.0, , 0.0, , 0.0, 0.967012107372284, 0.0, 0.0124225998297334, , 0.549710214138031, 0.0, 0.0, , 0.312413334846497, , , , 0.0, 0.0692608058452606, , 45.8199996948242, 0.0, 0.0234242789447308, , 0.0, 0.0, 0.0, , 0.0, 10.9089260101318, 0.0, , 10.2731170654297, 0.0, , 88.0, 0.0, 326.585784912109, 0.0, 0.0, 12.7710237503052, 0.0, 350.343994140625, 0.0, 0.0, 10.660737991333, 0.0, , , , 0.0, 409.316162109375, 6.49455308914185, 4.16992521286011, 9.0, 301.99365234375, , 124.029998779297, 0.0, 126.101943969727, 1.0, , , 0.0, , 0.0, 0.0, , 0.0, , , 0.0, , , , 0.0, 0.0, , , 0.0, 0.0, , 0.0, 6.0, , 6.69023466110229, , , 0.400000005960464, 4.30453062057495, 0.0, , , 0.5, , 3.6421070098877, 0.0, 0.0, 6.08364343643188, , 2.59263896942139, 0.16666667163372, 3.04182171821594, , , 1.80083346366882, 5.0, , 0.065277062356472, 0.0, 0.0, , , 0.00701689021661878, , 1.25044357776642, , , 
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, , 1.2831118106842 1.2831118106842, 0.434195280075073, 0.063002422451973, 3.0, 0.0, 1.0, 1.73998725414276 1.73998725414276, 0.227670907974243, -0.0110470522195101, , 0.0, 2.13864016532898 2.13864016532898, -0.148000985383987, , 0.0, 1.0, 0.0, 0.0, 0.0, 52.0, 144.0, 0.297833114862442 0.297833114862442, 0.0, 0.646330416202545, 0.0, 0.0, 0.323069870471954 0.323069870471954, 0.0, 0.0, 0.0, 13.0, 0.0, 0.0, 0.30470472574234 0.30470472574234, 0.0, 7.40816307067871, 0.0, 0.0, 0.0, 0.0, 6.12244892120361, 0.0, 0.0, 2.0, 0.0, 0.0, 7.97688007354736, 0.0, 4.23143148422241, 0.0, , 0.333333343267441, 0.298006236553192, 0.0, 2.76144790649414, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.27335560321808, 0.0, 0.0141421351581812, 0.0, 0.710170149803162, 1.0, 0.0, 0.0, 0.379287779331207, 0.0, 0.0, , 0.0, 0.136762395501137, 0.0, 85.4899978637695, 0.0, 0.0630376115441322, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 24.1161251068115, 0.0, 0.0, 16.1941165924072, 0.0, , 278.0, 0.0, 529.622985839844, 1.0, 0.0, 19.3010482788086, 0.685006737709045, 543.305541992188, 0.0, 0.0, 19.9023017883301, 0.0, 0.0, 0.0, 0.0, 1.0, 607.516662597656, 19.8262481689453, 4.70043992996216, 14.0, 573.628784179688, 0.0, 420.070007324219, 0.0, 512.704895019531, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, , 0.0, 0.333333343267441, 0.0, 0.0, 1.41421353816986, 1.0, 0.0, 10.2675848007202, 0.0, , 0.5, 6.11259078979492, 0.0, 0.0, 0.0, 0.810617208480835, 2.0, 4.91738939285278, 1.0, 0.0, 1.10520946979523, 0.0, 3.11628842353821, 0.117851130664349, 2.24957680702209, 0.0, 0.0, 2.16864395141602, 0.0, 0.0, 0.351063847541809, 0.0, 0.0, 0.0, 1.0, -0.189451888203621, 1.0, 1.47248339653015, 0.0, 0.0, 0.0
InChI%3D1S%2FC11H16O2%2Fc1-11%282%2C3%299-7-8%2813-4%295-6-10%289%2912%2Fh5-7%2C12H%2C1-4H3, 0.0, 2.65264892578125 2.65264892578125, 1.25564312934875, 0.00214558676816523, 0.0, 1.0, 0.0, 3.95988988876343 3.95988988876343, 0.470452636480331, -0.00806083250790834, 0.0, 0.0, 4.96348094940186 4.96348094940186, -0.0683958679437637, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 64.0, 123.0, 1.38270115852356 1.38270115852356, 0.0, 0.0, 0.0, 0.0, 1.6175764799118 1.6175764799118, 0.0, 0.200000002980232, 0.0, 11.0769233703613, 0.0, 0.0, 1.60978507995605 1.60978507995605, 0.0, 4.02216053009033, 0.0, 1.0, 0.0, 0.0, 2.72108840942383, 0.0680413842201233, 0.0, 1.0, 0.0, 0.150174587965012, 8.5875129699707, 0.0240562614053488, 4.32401323318481, 0.0326073467731476, , 1.65096366405487, 1.4547598361969, 0.0, 4.13307952880859, 0.0, 1.65096366405487, 0.0, 0.25, 0.0, 0.0, 2.01173377037048, 0.0, 0.23514024913311, 0.0, 1.242844581604, 4.0, 0.0721687823534012, 0.0, 0.723123610019684, 0.0, 0.0, 0.0, 0.0, 0.359188348054886, 0.0, 29.4599990844727, 0.0, 0.131210476160049, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.5489377975464, 1.0, 0.0, 13.9962759017944, 0.0, 0.0, 234.0, 1.73205077648163, 746.8720703125, 0.0, 0.0, 20.3283672332764, 3.19853830337524, 840.706298828125, 1.0, 0.0, 19.6604595184326, 0.0, 0.0, 0.0, 0.0, 3.98679065704346, 1154.76623535156, 16.9925518035889, 4.70043992996216, 18.0, 1031.48071289062, 0.0, 685.02001953125, 2.67496132850647, 749.46240234375, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 10.0604782104492, 0.0, 0.0, 0.5, 5.9477071762085, 0.0, 0.0, 0.0, 1.92370295524597, 0.0, 6.03712844848633, 0.0, 0.288675129413605, 1.65096366405487, 0.0, 3.99413347244263, 0.436886727809906, 5.85380077362061, 0.0, 0.0, 2.98695182800293, 3.0, 0.0, 0.246565759181976, 0.117851130664349, 1.04004192352295, 0.0, 0.0, -0.116106778383255, 0.0, 2.12693095207214, 0.0, 0.0, 0.0
InChI%3D1S%2FC5H10Br2O2%2Fc6-1-5%282-7%2C3-8%294-9%2Fh8-9H%2C1-4H2, 0.0, 2.12132024765015 2.12132024765015, 0.0, 0.0673163533210754, 4.0, 0.0, 0.0, 2.62132024765015 2.62132024765015, 0.0, -0.313291847705841, 0.0, 0.0, 0.0 0.0, 0.181322500109673, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 36.0, 48.0, 2.5574369430542 2.5574369430542, 0.0, 0.25, 0.0, 0.0, 3.27932834625244 3.27932834625244, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.0 0.0, 0.0, 3.92000007629395, 0.0, 1.0, 0.0, 0.0, 2.0, 0.0, 0.0, 2.0, 0.0, 0.0, 8.15077590942383, 0.0, 4.82412958145142, 0.0, , 0.0, 0.70710676908493, 0.0, 3.20495796203613, 0.0, 0.0, 0.0, 0.125, 0.0, 0.0, 3.6167619228363, 0.0, 0.0, 0.0, 1.89259576797485, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 40.4599990844727, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 97.0651168823242, 0.0, 0.0, 19.9695358276367, 0.0, 0.0, 88.0, 0.0, 602.619079589844, 0.0, 0.0, 21.9695358276367, 0.0, 622.653137207031, 1.0, 0.0, 47.9086036682129, 0.0, 0.0, 0.0, 0.0, 0.0, 749.134826660156, 81.4804611206055, 4.16992521286011, 12.0, 653.450317382812, 0.0, 252.039993286133, 0.0, 225.708770751953, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.3284273147583, 2.0, 0.0, 0.5, 4.24264049530029, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 2.91421365737915, 0.0, 0.125, 3.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 1.5, 0.0, 0.0, 0.238225370645523, 0.0, 4.0, 0.0, 0.0, -0.0544596798717976, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H6N2S%2Fc6-3-4-1-2-5-3%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29, 0.0, 0.40824830532074 0.40824830532074, 0.0, 0.0383092723786831, 2.0, 0.0, 0.0, 0.433012694120407 0.433012694120407, 0.0, -0.00447946460917592, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 26.0, 29.0, 0.212132036685944 0.212132036685944, 0.0, 0.0, 0.0, 0.0, 0.224999994039536 0.224999994039536, 0.0, 0.0, 0.0, 4.16666650772095, 0.0, 0.0, 0.0 0.0, 0.0, 1.63265311717987, 0.144337564706802, 0.0, 0.0, 0.0, 0.979591846466064, 0.144337564706802, 0.0559016987681389, 0.0, 0.0, 0.0, 4.20306777954102, 0.0750000029802322, 2.31420826911926, 0.0, , 0.0, 0.150000005960464, 0.0, 1.55571103096008, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.956023514270782, 0.0, 0.0, 0.0, 0.597213566303253, 0.0, 0.0, 0.0, 0.150000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 63.189998626709, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.847728729248, 0.0, 0.0, 8.33452606201172, 0.0, 0.0, 26.0, 0.0, 306.804779052734, 1.0, 0.0, 11.9192867279053, 0.0, 315.960357666016, 0.0, 0.0, 5.33957052230835, 0.0, 0.0, 0.0, 0.0, 0.0, 352.726928710938, 0.0, 3.58496260643005, 2.0, 90.0037307739258, 1.0, 114.029998779297, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 4.40577745437622, 0.0, 0.0, 0.333333343267441, 2.8938467502594, 0.0, 1.0, 0.0, 0.288675129413605, 1.0, 2.38962864875793, 0.0, 0.0, 1.0, 0.0, 1.64384686946869, 0.0, 1.0, 0.0, 0.0, 1.12993609905243, 0.0, 0.0, 0.155081227421761, 0.0, 0.0, 0.0, 0.0, -0.111370421946049, 0.0, 0.288675129413605, 0.0, 0.0, 0.0
InChI%3D1S%2FC11H8N2O5%2Fc12-11%2814%298%289-2-1-5-17-9%296-7-3-4-10%2818-7%2913%2815%2916%2Fh1-6H%2C%28H2%2C12%2C14%29, , 2.81996774673462 2.81996774673462, 2.0730562210083, -0.0121598290279508, 0.0, 0.0, 0.0, 3.73039531707764 3.73039531707764, 1.26126754283905, 0.0113497218117118, , 0.0, 4.50892114639282 4.50892114639282, -0.0880708992481232, , 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 90.0, 270.0, 0.611194312572479 0.611194312572479, 0.0, 0.595275402069092, 0.0, 0.0, 0.706646740436554 0.706646740436554, 0.0, 1.26253235340118, 0.0, 14.4099721908569, 0.0, 0.0, 0.619822919368744 0.619822919368744, 0.0, 6.43787002563477, 0.262188702821732, 0.0, 0.0, 0.0, 3.75, 0.234708055853844, 0.0733043998479843, 1.0, 0.0, 0.339345902204514, 8.99152183532715, 0.0544982254505157, 4.8538122177124, 0.0521887913346291, , 4.11402320861816, 0.345009863376617, 0.0, 3.31703281402588, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.12089276313782, 0.0, 0.0419318825006485, 0.0, 1.34816884994507, 0.0, 0.0, 0.0, 0.670200765132904, 0.0, 0.0, , 0.0, 0.358190029859543, 0.0, 116.180000305176, 0.0, 0.177748247981071, 0.0, 0.0, 1.0, 0.0, 0.0, 0.142857149243355, 22.592321395874, 0.0, 0.0, 22.0997619628906, 0.200000002980232, 0.0, 630.0, 0.0, 885.028503417969, 2.0, 0.0, 31.2025985717773, 0.0, 1019.95385742188, 0.0, 0.0, 26.5383224487305, 0.0, 0.0, 0.0, 0.0, 0.0, 1369.98657226562, 27.8153190612793, 5.16992521286011, 22.0, 1149.09899902344, 0.0, 423.070007324219, 0.0, 1116.689453125, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 1.0, 0.0, 1.0, 1.0, 0.0, , 2.0, 0.0, , 0.0, 0.0, 1.0, 0.0, 0.0, 6.0, 0.0, 13.1209554672241, 0.0, 0.0, 0.444444447755814, 8.5753870010376, 1.0, 0.0, 0.0, 1.34020686149597, 0.0, 7.87128496170044, 0.0, 0.0, 4.75505018234253, 0.0, 5.99172973632812, 0.370790809392929, 10.751633644104, 0.0, 0.0, 4.71259737014771, 5.0, 0.0, 0.514703989028931, 0.0, 0.0, 2.0, 2.0, -0.246210396289825, 0.0, 3.03443813323975, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H9NO%2Fc1-2-7-5-3-4-6%287%298%2Fh2H%2C1%2C3-5H2, 0.0, 1.06903564929962 1.06903564929962, 0.25, 0.0549030713737011, 3.0, 0.0, 0.0, 1.40829122066498 1.40829122066498, 0.0833333358168602, -0.0361551567912102, 0.0, 0.0, 0.735702276229858 0.735702276229858, -0.00230040540918708, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 36.0, 51.0, 0.35947185754776 0.35947185754776, 0.0, 0.0, 0.0, 0.0, 0.430451571941376 0.430451571941376, 0.0, 0.0, 0.0, 6.125, 0.0, 0.0, 0.176353126764297 0.176353126764297, 0.0, 2.51999998092651, 0.117851130664349, 0.0, 0.0, 0.0, 1.25, 0.201184466481209, 0.079056940972805, 0.0, 0.0, 0.16666667163372, 4.76123905181885, 0.0779184103012085, 2.76395916938782, 0.0509087592363358, , 0.0, 0.155836820602417, 0.0, 1.87326037883759, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.33039021492004, 0.0, 0.0263523142784834, 0.0, 0.862038493156433, 0.0, 0.0, 0.0, 0.266030073165894, 0.0, 0.0, 0.0, 1.0, 0.0831836238503456, 0.0, 20.3099994659424, 0.0, 0.0131761571392417, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.13445663452148, 0.0, 0.0, 8.83064746856689, 0.0, 0.0, 61.0, 0.0, 352.418762207031, 1.0, 0.0, 11.3841133117676, 1.51967132091522, 379.096984863281, 0.0, 0.0, 7.99627590179443, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 461.468231201172, 3.33209204673767, 4.0, 7.0, 261.143829345703, 0.0, 233.020004272461, 0.0, 96.5602569580078, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 5.98312759399414, 0.0, 0.0, 0.5, 3.84253525733948, 1.0, 0.0, 0.0, 0.402368932962418, 0.0, 3.07651543617249, 0.0, 0.0, 3.30192732810974, 0.0, 2.56349611282349, 0.117851130664349, 2.37841415405273, 0.0, 0.0, 1.82872819900513, 0.0, 0.0, 0.183382913470268, 0.0, 0.0, 0.0, 1.0, -0.108138963580132, 1.0, 0.664557635784149, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2%2Fb2-1%2B, 0.0, 0.0 0.0, 0.0, 0.0113530382514, 1.0, 0.0, 2.0, 0.0 0.0, 0.0, -0.0365978591144085, 0.0, 0.0, 0.0 0.0, 0.0198230687528849, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 14.0, 24.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.12959432601929, 0.0, 2.19801902770996, 0.0, , 0.0, 0.0, 0.0, 1.0765768289566, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.534522473812103, 0.0, 0.0, 0.0, 0.303045749664307, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.4255065917969, 0.0, 0.0, 7.90347480773926, 0.0, 0.0, 20.0, 0.0, 206.063125610352, 0.0, 0.0, 6.90347480773926, 0.0, 174.897933959961, 0.0, 0.0, 5.90347480773926, 0.0, 0.0, 0.0, 0.0, 0.0, 125.042137145996, 8.71275329589844, 3.32192802429199, 2.0, 74.689338684082, 0.0, 44.0200004577637, 0.0, 28.1061096191406, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 4.12132024765015, 0.0, 0.0, 0.5, 2.41421365737915, 2.0, 0.0, 0.0, 0.0, 0.0, 1.35355341434479, 0.0, 0.0, 2.38110160827637, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.353553384542465, 0.0, 0.0, 0.0772592276334763, 0.0, 0.0, 0.0, 0.0, -0.0332078598439693, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H7N3O2%2Fc1-2-6%285-8%293%284%297%2Fh2H2%2C1H3%2C%28H2%2C4%2C7%29, , 1.13807117938995 1.13807117938995, 0.0, 0.091437041759491, 1.0, 0.0, 0.0, 1.30473780632019 1.30473780632019, 0.0, -0.0823924243450165, , 0.0, 0.333333343267441 0.333333343267441, 0.0246710982173681, , 0.0, 1.0, 0.0, 0.0, 0.0, 30.0, 43.0, 0.224272325634956 0.224272325634956, 0.0, 0.25, 0.0, 0.0, 0.167673379182816 0.167673379182816, 0.0, 0.0, 0.0, 8.0, 0.0, 0.0, 0.0222663599997759 0.0222663599997759, 0.0, 3.9375, 0.0, 0.0, 0.0, 0.0, 2.8125, 0.0, 0.0, 1.0, 0.0, 0.0, 4.45699596405029, 0.0, 2.10312223434448, 0.0, , 0.0, 0.120710678398609, 0.0, 1.12101948261261, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.642584085464478, 0.0, 0.0158113874495029, , 0.246172472834587, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 76.75, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.5, 10.6289024353027, 0.0, 0.0, 8.74410152435303, 0.0, , 67.0, 0.0, 233.688842773438, 1.0, 0.0, 10.5189418792725, 1.0, 231.192886352539, 0.0, 0.0, 10.2421007156372, 0.0, 0.0, 0.0, , 0.333333343267441, 247.551254272461, 7.15830421447754, 4.0, 8.0, 202.46337890625, 0.0, 140.050003051758, 0.0, 92.8191223144531, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, , , 2.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 6.56891393661499, , , 0.5, 3.71874403953552, 0.0, 0.0, 0.0, 0.5, 1.0, 2.8205931186676, 0.0, 0.0, 0.0, 0.0, 1.99156379699707, 0.16666667163372, 0.5, 0.0, 0.0, 1.23148417472839, 0.0, 0.0, 0.157892808318138, 0.0, 0.0, 0.0, 1.0, -0.112662121653557, 1.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H9N3O%2Fc8-6-7-3-1-5-2-4-7%2Fh5H%2C1-4H2, , 0.492799282073975 0.492799282073975, 0.348461717367172, -0.030154749751091, 4.0, 0.0, , 0.594861328601837 0.594861328601837, 0.144337564706802, 0.0311528146266937, , 0.0, 0.492799282073975 0.492799282073975, -0.0345791764557362, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 34.0, 60.0, 0.182246178388596 0.182246178388596, , 0.0, , 0.0, 0.178445711731911 0.178445711731911, 0.0, 0.0, 0.0, 6.125, 0.0, 0.0, 0.128867506980896 0.128867506980896, 0.0, 3.11111116409302, 0.0, 0.0, 0.0, 0.0, 1.79999995231628, 0.102062076330185, 0.0, 0.0, 0.0, 0.0721687823534012, 4.63110256195068, 0.0559016987681389, 2.72213649749756, 0.025000000372529, , 0.0, 0.100000001490116, 0.0, 1.78531277179718, 0.0, 0.0, , 0.0, , 0.0, 1.20885801315308, 0.0, 0.0, , 0.734680831432343, 0.0, 0.0, 0.0, 0.446945697069168, , , , 0.0, 0.0788675099611282, , 44.7000007629395, 0.0, 0.020412415266037, , 0.0, 0.0, 0.0, , 0.0, 9.85443305969238, 0.0, , 9.5781946182251, 0.0, , 64.0, 0.0, 299.339477539062, 0.0, 0.0, 10.5505771636963, 0.0, 315.014465332031, 0.0, 0.0, 8.35654258728027, 0.0, 0.0, 0.0, , 0.0, 353.282562255859, 4.02417182922363, 4.0, 7.0, 239.568893432617, 0.0, 233.039993286133, 0.0, 72.6786575317383, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , , 0.25, 0.0, 0.0, 1.15470051765442, 0.0, 0.0, 5.81999111175537, , , 0.400000005960464, 3.9318516254425, 0.0, 1.0, 0.0, 0.20412415266037, 1.0, 2.91228413581848, 0.0, 0.0, 3.30192732810974, , 2.30209517478943, 0.0, 0.0, 0.0, , 1.59538793563843, 0.0, 0.0, 0.134822562336922, 0.0, 0.0, 0.0, 1.0, -0.061790119856596, 1.0, 1.10517168045044, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H12F6N2O%2Fc9-7%2810%2C11%293-1-5-16%2815-17%296-2-4-8%2812%2C13%2914%2Fh1-6H2, , 1.99279928207397 1.99279928207397, 1.18459379673004, 0.136004030704498, 6.0, 0.0, 0.0, 2.15552163124084 2.15552163124084, 0.811367690563202, 0.00148752145469189, , 0.0, 1.41644966602325 1.41644966602325, -0.1936144977808, , 0.0, 1.0, 0.0, 0.0, 0.0, 76.0, 250.0, 0.396531909704208 0.396531909704208, 0.0, 0.0, 0.0, 0.0, 0.386255383491516 0.386255383491516, 0.0, 0.0, 0.0, 17.0, 0.0, 0.0, 0.248388692736626 0.248388692736626, 0.0, 7.43801641464233, 0.0, 0.0, 0.0, 0.0, 12.25, 0.0, 0.0, 0.0, 0.0, 0.0, 8.81310272216797, 0.0, 4.85602998733521, 0.0, , 0.0, 0.457040697336197, 0.0, 3.47277474403381, 0.0, 0.0, 0.0, 0.0381801761686802, 0.0, 0.0, 1.86842572689056, 0.0, 0.0, , 1.11748695373535, 0.0, 0.0, 0.0, 0.577647268772125, 0.0, 0.0, , 0.0, 0.370777666568756, 0.0, 32.6699981689453, 0.0, 0.178276523947716, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 27.5067100524902, 0.0, 0.0, 20.736536026001, 0.0, , 638.0, 0.0, 496.886291503906, 0.0, 0.0, 35.7211837768555, 0.0, 522.906555175781, 2.0, 0.0, 20.8196353912354, 0.0, 0.0, 0.0, , 0.0, 610.826477050781, 19.8196353912354, 5.08746290206909, 16.0, 533.881530761719, 0.0, 512.090026855469, 0.0, 474.558898925781, 0.0, 0.0, 0.0, 0.0, 0.0, 0.125, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 4.0, 0.0, 13.5270977020264, , , 0.5, 7.63895845413208, 0.0, 0.0, 0.0, 3.32544445991516, 1.0, 8.18005084991455, 0.0, 0.70710676908493, 6.12046384811401, 0.0, 3.65564846992493, 0.0, 0.0, 0.0, 0.0, 2.39472055435181, 0.0, 0.0, 0.571073532104492, 0.0, 3.65134453773499, 0.0, 1.0, -0.34615957736969, 1.0, 1.39384686946869, 0.0, 6.0, 0.0
InChI%3D1S%2FC19H28O2%2Fc1-18-9-7-13%2820%2911-12%2818%293-4-14-15-5-6-17%2821%2919%2815%2C2%2910-8-16%2814%2918%2Fh3%2C13-16%2C20H%2C4-11H2%2C1-2H3%2Ft13-%2C14%3F%2C15-%2C16-%2C18%3F%2C19%3F%2Fm0%2Fs1, 0.0, 6.45369958877563 6.45369958877563, 4.87597322463989, -0.05238301679492, 8.0, 0.0, 0.0, 10.4766407012939 10.4766407012939, 3.67226314544678, 0.00141182879451662, 0.0, 0.0, 14.9557294845581 14.9557294845581, 0.0124663915485144, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 126.0, 349.0, 4.98863506317139 4.98863506317139, 0.0, 0.100000001490116, 0.0, 0.0, 8.20141792297363 8.20141792297363, 0.0, 0.0, 0.0, 14.5833330154419, 0.0, 0.0, 11.168438911438 11.168438911438, 0.0, 4.74687719345093, 0.0833333358168602, 2.0, 0.0, 0.0, 1.92627823352814, 0.428855359554291, 0.0721687823534012, 1.0, 0.0, 0.974374115467072, 13.3990678787231, 0.327493518590927, 8.85871887207031, 0.701946496963501, , 5.02609777450562, 1.92971622943878, 0.0, 8.57398891448975, 0.0, 5.28213405609131, 0.0, 0.20412415266037, 0.0, 0.0, 7.78690433502197, 0.0, 0.758997678756714, 0.0, 6.41274881362915, 2.0, 0.154462784528732, 0.0, 5.09541463851929, 0.0, 0.0, 0.0, 0.0, 3.68565773963928, 0.0, 37.2999992370605, 0.0, 2.63753008842468, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 22.5489387512207, 3.0, 0.0, 24.6641845703125, 0.0, 0.0, 802.0, 0.16666667163372, 1894.33947753906, 2.0, 0.0, 40.328369140625, 4.76332139968872, 2376.10424804688, 2.0, 0.0, 45.9925537109375, 0.0, 0.0, 0.0, 0.0, 3.49827003479004, 3779.72119140625, 35.328369140625, 5.39231729507446, 44.0, 3986.35327148438, 0.0, 2284.02001953125, 1.78885436058044, 3019.96655273438, 0.0, 0.0, 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 9.0, 0.0, 14.8280630111694, 0.0, 0.0, 0.5, 9.9491605758667, 1.0, 0.0, 0.0, 2.39445400238037, 0.0, 10.0593738555908, 4.0, 0.235702261328697, 10.5026302337646, 0.0, 9.40202808380127, 1.08504247665405, 19.4902648925781, 0.0, 0.0, 7.73521757125854, 0.0, 0.0, 0.201166540384293, 0.23848395049572, 6.72457647323608, 0.0, 1.0, -0.0481378734111786, 0.0, 6.53445720672607, 0.0, 0.0, 0.0
InChI%3D1S%2FC18H20O2%2Fc1-3-17%2813-5-9-15%2819%2910-6-13%2918%284-2%2914-7-11-16%2820%2912-8-14%2Fh5-12%2C19-20H%2C3-4H2%2C1-2H3, 0.0, 2.7227041721344 2.7227041721344, 2.51379179954529, -0.0264992564916611, 2.0, 0.0, 0.0, 4.2030177116394 4.2030177116394, 1.64876699447632, -0.00640427460893989, 0.0, 0.0, 5.70888519287109 5.70888519287109, -0.0265779197216034, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 0.0, 98.0, 340.0, 1.16005635261536 1.16005635261536, 0.0, 0.0909090936183929, 0.0, 0.0, 1.74711382389069 1.74711382389069, 0.0, 0.0, 0.0, 16.3718814849854, 0.0, 0.0, 2.00142669677734 2.00142669677734, 0.0, 7.85204076766968, 0.0, 0.0, 0.0, 0.0, 4.25, 0.16666667163372, 0.0, 2.0, 0.0, 0.262891709804535, 11.9274425506592, 0.0555555559694767, 6.96126842498779, 0.0526229776442051, , 5.00828838348389, 0.492514550685883, 0.0, 4.75796175003052, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.50291633605957, 0.0, 0.090175561606884, 0.0, 2.50871586799622, 2.0, 0.0, 0.0, 1.6406888961792, 0.0, 0.0, 0.0, 0.0, 0.743891835212708, 0.0, 40.4599990844727, 0.0, 0.425686538219452, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 21.5489387512207, 2.0, 0.0, 21.6641845703125, 0.0, 0.0, 814.0, 0.200000002980232, 1395.02160644531, 2.0, 0.0, 29.3283672332764, 4.84388399124146, 1598.05151367188, 0.0, 0.0, 31.3283672332764, 0.0, 0.0, 0.0, 0.0, 3.15561699867249, 2143.703125, 28.6641845703125, 5.32192802429199, 30.0, 2271.841796875, 0.0, 1301.02001953125, 0.0, 2004.98266601562, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0, 0.0, 14.5351696014404, 0.0, 0.0, 0.454545468091965, 9.65139675140381, 0.0, 0.0, 0.0, 1.18284916877747, 0.0, 8.18410968780518, 0.0, 0.0, 12.1977014541626, 0.0, 6.82477712631226, 0.191638320684433, 21.1690063476562, 0.0, 0.0, 5.39936637878418, 8.0, 0.0, 0.158259928226471, 0.0, 0.0, 0.0, 0.0, -0.04741171002388, 0.0, 4.36243915557861, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H5Cl%2Fc1-3-4%282%295%2Fh3H%2C1-2H2, 0.0, 0.40824830532074 0.40824830532074, 0.0, -0.00440725963562727, 0.0, 0.0, 1.0, 0.0 0.0, 0.0, -0.000162440846906975, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 16.0, 19.0, 0.163663417100906 0.163663417100906, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.25, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.62545728683472, 0.0, 1.61742353439331, 0.0, , 0.0, 0.231455028057098, 0.0, 1.13646697998047, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.375792592763901, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.7127532958984, 0.0, 0.0, 5.95173740386963, 0.0, 0.0, 18.0, 0.333333343267441, 209.404479980469, 1.0, 0.0, 7.90347480773926, 1.41421353816986, 185.763259887695, 0.0, 0.0, 3.95173740386963, 0.0, 0.0, 0.0, 0.0, 1.41421353816986, 159.014999389648, 0.0, 3.32192802429199, 2.0, 63.688159942627, 0.0, 61.0099983215332, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 4.28445720672607, 0.0, 0.0, 0.333333343267441, 2.27005553245544, 1.0, 0.0, 0.0, 0.40824830532074, 0.0, 1.80209517478943, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.025400809943676, 0.0, 0.0, 0.0, 0.0, -0.0081307040527463, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC24H38O4%2Fc1-5-9-13-19%287-3%2917-27-23%2825%2921-15-11-12-16-22%2821%2924%2826%2928-18-20%288-4%2914-10-6-2%2Fh11-12%2C15-16%2C19-20H%2C5-10%2C13-14%2C17-18H2%2C1-4H3, 0.0, 2.93108129501343 2.93108129501343, 2.94688487052917, 0.176267266273499, 10.0, 2.0, 0.0, 4.20715475082397 4.20715475082397, 1.70861983299255, -0.079048827290535, 0.0, 0.0, 5.50676584243774 5.50676584243774, -0.295006543397903, 0.0, 0.0, 0.888888895511627, 0.0, 0.0, 0.0, 124.0, 690.0, 1.36898148059845 1.36898148059845, 0.0, 0.200000002980232, 0.0, 0.0, 1.51242673397064 1.51242673397064, 0.0, 1.26491105556488, 0.0, 26.0357151031494, 0.0, 0.0, 1.42923772335052 1.42923772335052, 0.0, 15.7889270782471, 0.0, 0.0, 0.0, 0.0, 10.053539276123, 0.0833333358168602, 0.0, 0.0, 0.0, 0.0962250456213951, 18.1681632995605, 0.0277777779847383, 10.9991140365601, 0.0277777779847383, , 5.00828838348389, 0.635919213294983, 0.0, 7.57551145553589, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.35370397567749, 0.0, 0.0448895953595638, 0.0, 3.17791032791138, 4.0, 0.0, 0.0, 2.07339024543762, 0.0, 0.0, 0.0, 0.0, 1.06930863857269, 0.0, 52.5999984741211, 0.0, 0.457961708307266, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 31.0978755950928, 4.0, 0.0, 29.9925518035889, 0.200000002980232, 0.0, 2388.0, 0.544508993625641, 1593.48608398438, 2.0, 0.0, 37.5414886474609, 8.30852031707764, 1729.32397460938, 0.0, 0.0, 42.6492881774902, 0.0, 0.0, 0.0, 0.0, 3.53208184242249, 2116.28857421875, 43.9776573181152, 5.80735492706299, 38.0, 2239.41625976562, 0.0, 3600.0400390625, 0.0, 2128.32373046875, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0, 0.0, 20.777811050415, 0.0, 0.0, 0.470588237047195, 13.5656108856201, 0.0, 0.0, 0.0, 1.15181839466095, 0.0, 10.5544385910034, 2.0, 0.0, 16.3074645996094, 0.0, 8.48372745513916, 0.248005643486977, 19.6782150268555, 0.0, 0.0, 6.11735105514526, 4.0, 0.0, 0.536179184913635, 0.0, 0.0, 0.0, 2.0, -0.325496315956116, 0.0, 4.73459577560425, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H5N3O9%2Fc7-4%288%2913-1-3%2815-6%2811%2912%292-14-5%289%2910%2Fh3H%2C1-2H2, 0.0, 1.21957874298096 1.21957874298096, 0.925776898860931, 0.141419127583504, 2.0, 3.0, 0.0, 1.33776438236237 1.33776438236237, 0.736781120300293, 0.00772737246006727, 0.0, 0.0, 1.70570075511932 1.70570075511932, -0.194886401295662, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 62.0, 172.0, 0.209531024098396 0.209531024098396, 0.0, 2.65669870376587, 0.0, 0.0, 0.198431700468063 0.198431700468063, 0.0, 4.69194936752319, 0.0, 15.0, 0.0, 0.0, 0.153724387288094 0.153724387288094, 0.56462162733078, 8.18685150146484, 0.0, 0.0, 0.0, 0.0, 10.2857141494751, 0.0, 0.0, 0.0, 0.0, 0.0, 7.00743913650513, 0.0, 3.27271676063538, 0.0, , 0.0, 0.209138229489326, 0.0, 1.98977029323578, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.966812252998352, 0.0, 0.0, 0.0, 0.51867014169693, 0.0, 0.0, 0.0, 0.255696803331375, 0.0, 0.0, 0.0, 0.0, 0.0892033651471138, 0.0, 165.149993896484, 0.0, 0.0338578522205353, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.0501861572266, 0.0, 0.0, 19.9774703979492, 0.908560276031494, 0.0, 424.0, 0.0, 314.39013671875, 0.0, 0.0, 25.7971458435059, 0.0, 331.524932861328, 0.0, 0.0, 18.8704147338867, 0.0, 0.0, 0.0, 0.0, 0.0, 379.246215820312, 20.9774398803711, 4.90689039230347, 14.0, 346.561798095703, 0.0, 151.119995117188, 0.0, 320.957824707031, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 11.8449354171753, 0.0, 0.0, 0.5, 6.9135913848877, 0.0, 0.0, 0.0, 1.42886900901794, 0.0, 6.43796873092651, 1.0, 0.0, 0.5, 0.0, 3.10926818847656, 0.0, 2.0, 0.0, 0.0, 2.18477773666382, 0.0, 0.0, 0.397429376840591, 0.0, 0.0, 0.0, 6.0, -0.230479955673218, 0.0, 1.71696293354034, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3, , 0.492799282073975 0.492799282073975, 0.348461717367172, 0.0, 1.0, , , 0.594861328601837 0.594861328601837, 0.144337564706802, 0.0, , , 0.492799282073975 0.492799282073975, 0.0, , 0.0, 0.666666686534882, , , , 34.0, 60.0, 0.253933906555176 0.253933906555176, , 0.0, , 0.0, 0.253933906555176 0.253933906555176, 0.0, 0.0, , 6.125, 0.0, , 0.169289261102676, 0.0, 3.11111116409302, 0.0, 0.0, , 0.0, 1.79999995231628, 0.102062076330185, 0.0, , 0.0, 0.0721687823534012, 5.09385824203491, 0.0320750139653683, 2.97134375572205, 0.0226804614067078, , 0.0, 0.117851130664349, 0.0, 1.83915197849274, 0.0, 0.0, , 0.0, , 0.0, 1.25107300281525, 0.0, 0.0, , 0.713712811470032, 1.0, 0.0, , 0.407100260257721, , , , 0.0, 0.123928338289261, , 0.0, 0.0, 0.0453609228134155, , 0.0, 0.0, 0.0, , 0.0, 8.0, 1.0, , 8.0, 0.0, , 64.0, 0.0, 380.579162597656, 0.0, 0.0, 9.0, 2.00414514541626, 395.764465332031, 0.0, 0.0, 7.0, 0.0, , , , 0.5, 444.308013916016, 3.0, 4.0, 7.0, 321.839263916016, , 268.0, 0.0, 118.681030273438, 1.0, , , 0.0, , 0.0, 0.0, , 0.0, , , 0.0, , , , 1.0, 0.0, , , 0.0, 0.0, , 0.0, 6.0, , 5.81999111175537, , , 0.400000005960464, 3.9318516254425, 0.0, , , 0.20412415266037, , 2.91228413581848, 0.0, 0.0, 7.73231601715088, , 2.30209517478943, 0.0, 3.96540641784668, , , 1.59538793563843, 5.0, , 0.0, 0.0, 0.0, , , 0.0, , 1.10517168045044, , , 0.0
InChI%3D1S%2FC18H14N4O7S.Na%2Fc23-21%2824%2914-7-9-15%2817%2811-14%2922%2825%2926%2920-13-6-8-16%2818%2810-13%2930%2827%2C28%2929%2919-12-4-2-1-3-5-12%3B%2Fh1-11%2C19-20H%2C%28H%2C27%2C28%2C29%29%3B%2Fq%3B%2B1%2Fp-1, 0.0, 5.32076215744019 5.32076215744019, 4.68100070953369, -0.0138636212795973, 0.0, 0.0, 0.0, 7.57592582702637 7.57592582702637, 3.2804319858551, -0.179786592721939, 0.0, 0.0, 10.6086912155151 10.6086912155151, -0.0402004085481167, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 156.0, -424509504.0, 1.35934495925903 1.35934495925903, 0.0, 3.40521645545959, 1.0, 0.0, 1.66429841518402 1.66429841518402, 0.0, 0.0, 0.0, 27.24609375, 0.0, 0.0, 1.8750411272049 1.8750411272049, 0.25, 11.9234399795532, 0.0, 0.0, 0.0, 0.0, 7.5, 0.23814482986927, 0.0, 0.0, 0.0, 0.329094469547272, 15.0618801116943, 0.0801875367760658, 8.70580863952637, 0.0944978967308998, , 5.76800155639648, 0.722040891647339, 0.0, 6.28832721710205, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.27344369888306, 0.0, 0.0988037958741188, 0.0, 2.85735392570496, 0.0, 0.0, 0.0, 1.94196903705597, 0.0, 0.0, 0.0, 0.0, 1.01347720623016, 0.0, 181.279998779297, 0.0, 0.597536385059357, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 46.652774810791, 0.0, 0.0, 44.5499572753906, 0.0, 0.0, 30000003072.0, 0.0, 2002.31872558594, 0.0, 0.0, 57.5307807922363, 0.0, 2348.369140625, 0.0, 0.0, 59.4565315246582, 0.0, 0.0, 0.0, 0.0, 0.0, 3312.822265625, 60.392936706543, 5.95419645309448, 47.0, 3391.61254882812, 0.0, 1095.13000488281, 0.0, 3152.51123046875, 7.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.200000002980232, 0.0, 0.0, 0.679617702960968, 18.0, 0.0, 21.8885402679443, 0.0, 0.0, 0.999000012874603, 14.1468858718872, 0.0, 2.0, 0.0, 3.19487428665161, 0.0, 13.8722171783447, 0.0, 0.288675129413605, 12.0717220306396, 0.0, 10.0990676879883, 0.783269762992859, 19.1076068878174, 0.0, 0.0, 8.17313480377197, 11.0, 0.0, 0.522775650024414, 0.117851130664349, 0.0, 0.0, 6.0, -0.136044561862946, 0.0, 6.82468318939209, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh1%2C3H2%2C2H3, 0.0, 0.40824830532074 0.40824830532074, 0.0, 0.00625614169985056, 1.0, 0.0, 1.0, 0.0 0.0, 0.0, -0.00325831468217075, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 16.0, 19.0, 0.283473342657089 0.283473342657089, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.25, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0481071472168, 0.0, 2.00889039039612, 0.0, , 0.0, 0.25, 0.0, 1.35799860954285, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.684365212917328, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 12.7127532958984, 0.0, 0.0, 5.95173740386963, 0.0, 0.0, 18.0, 0.5, 201.709381103516, 1.0, 0.0, 5.95173740386963, 1.0, 177.395156860352, 0.0, 0.0, 5.90347480773926, 0.0, 0.0, 0.0, 0.0, 2.0, 155.535827636719, 0.0, 3.32192802429199, 2.0, 61.1233901977539, 0.0, 101.01000213623, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.28445720672607, 0.0, 0.0, 0.333333343267441, 2.27005553245544, 0.0, 0.0, 0.0, 0.40824830532074, 0.0, 1.80209517478943, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0495115518569946, 0.0, 0.0, 0.0, 0.0, -0.0277536027133465, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC2H5NO2%2Fc1-5-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29, 0.0, 0.40824830532074 0.40824830532074, 0.0, 0.142307981848717, 0.0, 1.0, 0.0, 0.0 0.0, 0.0, -0.0428490415215492, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 16.0, 19.0, 0.0456435456871986 0.0456435456871986, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.5, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.25, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 1.0, 0.0, 0.0, 2.85546183586121, 0.0, 1.08597922325134, 0.0, , 0.0, 0.0456435456871986, 0.0, 0.509276688098907, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.193349167704582, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 53.310001373291, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.90892601013184, 0.0, 0.0, 5.16246128082275, 0.0, 0.0, 18.0, 0.0, 93.8053283691406, 1.0, 0.0, 5.88140106201172, 0.0, 81.2131805419922, 0.0, 0.0, 2.49827718734741, 0.0, 0.0, 0.0, 0.0, 0.5, 72.0409851074219, 0.0, 3.32192802429199, 2.0, 31.8128147125244, 0.0, 61.0299987792969, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.28445720672607, 0.0, 0.0, 0.333333343267441, 2.27005553245544, 0.0, 0.0, 0.0, 0.40824830532074, 0.0, 1.80209517478943, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.259615421295166, 0.0, 0.0, 0.0, 0.0, -0.229266658425331, 0.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC15H32N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-13-14-15-17%282%2916-18%2Fh3-15H2%2C1-2H3, 0.0, 0.492799282073975 0.492799282073975, 1.09218013286591, 0.0339780114591122, 13.0, 0.0, 0.0, 0.348461717367172 0.348461717367172, 0.709787964820862, -0.0256960652768612, 0.0, 0.0, 0.246399641036987 0.246399641036987, -0.00233474373817444, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 68.0, 413.0, 0.157735019922256 0.157735019922256, 0.0, 0.0, 0.0, 0.0, 0.111535504460335 0.111535504460335, 0.0, 0.0, 0.0, 18.0, 0.0, 0.0, 0.0788675099611282 0.0788675099611282, 0.0, 15.0588235855103, 0.0, 0.0, 0.0, 0.0, 15.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.4950637817383, 0.0, 7.85312223434448, 0.0, , 0.0, 0.141421362757683, 0.0, 5.35199308395386, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.47465872764587, 0.0, 0.0, 0.0, 2.22244310379028, 2.0, 0.0, 0.0, 1.44650459289551, 0.0, 0.0, 0.0, 0.0, 0.934444844722748, 0.0, 32.6699981689453, 0.0, 0.598252296447754, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.4944458007812, 0.0, 0.0, 18.2458248138428, 0.0, 0.0, 941.0, 0.0666666701436043, 848.897766113281, 0.0, 0.0, 18.0520210266113, 4.14462566375732, 834.167785644531, 0.0, 0.0, 16.9965553283691, 0.0, 0.0, 0.0, 0.0, 0.0, 822.486511230469, 14.6644620895386, 5.16992521286011, 16.0, 763.073791503906, 0.0, 2095.03002929688, 0.0, 691.538146972656, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 12.0, 0.0, 13.4768447875977, 0.0, 0.0, 0.5, 8.80806064605713, 0.0, 0.0, 0.0, 0.288675129413605, 1.0, 6.1911826133728, 0.0, 0.0, 21.215217590332, 0.0, 4.24740028381348, 0.0, 0.0, 0.0, 0.0, 2.53791379928589, 0.0, 0.0, 0.0618683211505413, 0.0, 0.0, 0.0, 1.0, -0.0366798937320709, 1.0, 1.66957592964172, 0.0, 0.0, 0.0
InChI%3D1S%2FC13H16N4O6.ClH%2Fc18-13-16%2814-7-10-1-2-12%2822-10%2917%2819%2920%299-11%2823-13%298-15-3-5-21-6-4-15%3B%2Fh1-2%2C7%2C11H%2C3-6%2C8-9H2%3B1H%2Fb14-7-%3B%2Ft11-%3B%2Fm0.%2Fs1, 0.0, 3.15342998504639 3.15342998504639, 3.01796126365662, -0.192745238542557, 6.0, 2.0, 0.0, 4.24204921722412 4.24204921722412, 2.00903558731079, 0.475537300109863, 0.0, 0.0, 4.77639818191528 4.77639818191528, -0.177909776568413, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 118.0, -1539607552.0, 0.923427939414978 0.923427939414978, 0.0, 0.550321221351624, 0.0, 0.0, 1.1531366109848 1.1531366109848, 0.0, 1.44948661327362, 0.0, 20.3136005401611, 0.0, 0.0, 1.04165661334991 1.04165661334991, 0.482744693756104, 9.62975788116455, 0.214076176285744, 0.0, 0.0, 0.0, 5.7619047164917, 0.485744595527649, 0.071288488805294, 0.0, 0.0, 0.586881160736084, 13.5151309967041, 0.138733416795731, 7.1808762550354, 0.113020822405815, , 1.55034387111664, 0.541957318782806, 0.0, 5.17853832244873, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.53724527359009, 0.0, 0.0205692183226347, 0.0, 2.40542578697205, 0.0, 0.0, 0.0, 1.44998145103455, 0.0, 0.0, 0.0, 0.0, 0.729140222072601, 0.0, 113.330001831055, 0.0, 0.441610813140869, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 37.7995185852051, 0.0, 0.0, 29.9548606872559, 0.408528983592987, 0.0, 23000000512.0, 0.0, 1129.59497070312, 1.0, 0.0, 41.6938323974609, 0.0, 1290.88732910156, 0.0, 0.0, 35.807933807373, 0.0, 0.0, 0.0, 0.0, 0.0, 1724.99304199219, 30.2314853668213, 5.58496236801147, 29.0, 1437.21264648438, 0.0, 1212.10998535156, 0.0, 1259.67846679688, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, , 7.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.02598559856415, 4.0, 0.0, 16.2338409423828, 0.0, 0.0, 0.999000012874603, 11.1141939163208, 1.0, 0.0, 0.0, 1.51474142074585, 1.0, 10.0750560760498, 1.0, 0.0, 8.43766212463379, 0.0, 8.00765419006348, 0.284517794847488, 8.80964183807373, 0.0, 0.0, 6.3950834274292, 2.0, 0.0, 0.909408450126648, 0.0, 0.0, 1.0, 3.0, -0.510808706283569, 2.0, 4.59691095352173, 0.0, 0.0, 0.0
InChI%3D1S%2FC17H22N2O.C4H6O4%2Fc1-17%2820-14-13-19%282%293%2C15-9-5-4-6-10-15%2916-11-7-8-12-18-16%3B5-3%286%291-2-4%287%298%2Fh4-12H%2C13-14H2%2C1-3H3%3B1-2H2%2C%28H%2C5%2C6%29%28H%2C7%2C8%29, 0.0, 3.68783617019653 3.68783617019653, 2.37833142280579, -0.0503899678587914, 4.0, 1.0, 0.0, 5.15312194824219 5.15312194824219, 1.67757701873779, 0.23035691678524, 0.0, 0.0, 6.85834503173828 6.85834503173828, -0.381993293762207, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 128.0, 165425088.0, 1.55431246757507 1.55431246757507, 0.0, 1.62865054607391, 0.0, 0.0, 1.80225241184235 1.80225241184235, 0.0, 3.99999988687227e-09, 0.0, 26.0357151031494, 0.0, 0.0, 1.87426030635834 1.87426030635834, 0.0, 14.0833330154419, 0.0, 0.0, 0.0, 0.0, 10.5625, 0.20412415266037, 0.0, 2.0, 0.0, 0.102062076330185, 16.538179397583, 0.0569202154874802, 8.94718742370605, 0.0284601077437401, , 4.45101841251017e-06, 0.973365426063538, 0.0, 6.55346632003784, 0.0, 0.000126491111586802, 0.0, 0.0510310381650925, 0.0, 0.0, 3.96029472351074, 0.0, 0.164501041173935, 0.0, 2.35251593589783, 3.0, 0.0301865022629499, 0.0, 1.43974387645721, 0.0, 0.0, 0.0, 0.0, 0.753823935985565, 0.0, 99.9599990844727, 0.0, 0.417979627847672, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 32.5923194885254, 2.0, 0.0, 30.8234786987305, 0.0, 0.0, 160000000000.0, 0.721124768257141, 1497.40551757812, 2.0, 0.0, 40.8704147338867, 0.390338510274887, 1672.10925292969, 1.0, 0.0, 37.9301300048828, 0.0, 0.0, 0.0, 0.0, 0.000186048346222378, 2198.16455078125, 35.9856605529785, 5.80735492706299, 34.0, 2200.87426757812, 0.0, 2380.07006835938, 1.02598559856415, 1956.80200195312, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.16666667163372, 11.0, 0.0, 20.9933528900146, 0.0, 0.0, 0.999000012874603, 13.2527437210083, 0.0, 0.0, 0.0, 2.20618605613708, 0.0, 11.8268060684204, 0.0, 0.117851130664349, 0.0, 0.0, 7.89388847351074, 0.488641947507858, 0.00104879192076623, 1.0, 0.0, 5.82356882095337, 9.0, 0.0, 0.718974471092224, 0.117851130664349, 0.229387924075127, 0.0, 2.0, -0.344007015228271, 1.0, 4.58550453186035, 0.0, 0.0, 0.0
InChI%3D1S%2FC3H5N3O%2Fc1-2-6%283-4%295-7%2Fh2H2%2C1H3, , 0.61237245798111 0.61237245798111, 0.0, 0.059097658842802, 1.0, 0.0, 0.0, 0.61237245798111 0.61237245798111, 0.0, -0.0777772441506386, , 0.0, 0.0 0.0, 0.0226941145956516, , 0.0, 1.0, 0.0, 0.0, 0.0, 24.0, 36.0, 0.131200969219208 0.131200969219208, 0.0, 0.0, 0.0, 0.0, 0.0734002366662025 0.0734002366662025, 0.0, 0.0, 0.0, 7.0, 0.0, 0.0, 0.0 0.0, 0.0, 4.16666650772095, 0.0, 0.0, 0.0, 0.0, 2.66666674613953, 0.0, 0.0, 0.0, 1.0, 0.0, 3.95699596405029, 0.0, 1.85312235355377, 0.0, , 0.0, 0.0707106813788414, 0.0, 0.897412657737732, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.513527154922485, 0.0, 0.0, , 0.146703124046326, 1.0, 0.0, 0.0, 0.0, , , , 0.0, 0.0, 0.0, 56.4599990844727, 0.0, 0.0, , 0.333333343267441, 0.0, 0.0, , 0.5, 8.85443305969238, 0.0, 0.0, 7.41200971603394, 0.0, , 48.0, 0.0, 169.15576171875, 0.0, 0.0, 7.41200971603394, 1.15470051765442, 160.652328491211, 0.0, 0.0, 7.35654258728027, 0.0, 1.0, 0.0, , 0.0, 153.962753295898, 4.0517430305481, 3.80735492706299, 6.0, 118.846786499023, 0.0, 79.0400009155273, 0.0, 43.5250205993652, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 2.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 5.69867038726807, , , 0.5, 3.34606528282166, 0.0, 0.0, 0.0, 0.20412415266037, 1.0, 2.09077024459839, 0.0, 0.0, 0.5, , 1.73205077648163, 0.0, 0.0, 0.0, 0.0, 0.866025388240814, 0.0, 0.0, 0.147364437580109, 0.0, 0.0, 0.0, 1.0, -0.0776967480778694, 1.0, 0.0, 0.0, 0.0, 0.0
InChI%3D1S%2FC5H11N3O2%2Fc1-2-3-4-8%287-10%295%286%299%2Fh2-4H2%2C1H3%2C%28H2%2C6%2C9%29, , 1.08925569057465 1.08925569057465, 0.380039840936661, 0.0917155742645264, 3.0, 0.0, 0.0, 1.17258894443512 1.17258894443512, 0.0, -0.083014041185379, , 0.0, 0.735702276229858 0.735702276229858, 0.0257974360138178, , 0.0, 1.0, 0.0, 0.0, 0.0, 38.0, 85.0, 0.203561648726463 0.203561648726463, 0.0, 0.25, 0.0, 0.0, 0.164600849151611 0.164600849151611, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.118591137230396 0.118591137230396, 0.0, 5.76000022888184, 0.0, 0.0, 0.0, 0.0, 4.48000001907349, 0.0, 0.0, 1.0, 0.0, 0.0, 5.87120962142944, 0.0, 3.10312223434448, 0.0, , 0.0, 0.120710678398609, 0.0, 1.88195192813873, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.06651949882507, 0.0, 0.0158113874495029, , 0.493277877569199, 1.0, 0.0, 0.0, 0.25351893901825, 0.0, , , 0.0, 0.103751324117184, 0.0, 76.75, 0.0, 0.0, , 0.333333343267441, 0.0, 0.0, 0.0, 0.5, 12.6289024353027, 0.0, 0.0, 10.744101524353, 0.0, , 134.0, 0.0, 352.085113525391, 1.0, 0.0, 12.5189418792725, 1.65096366405487, 351.712280273438, 0.0, 0.0, 12.4082860946655, 0.0, 0.0, 0.0, , 0.200000002980232, 373.659515380859, 10.4906749725342, 4.32192802429199, 10.0, 332.0087890625, 0.0, 310.049987792969, 0.0, 234.012908935547, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, , , 2.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 2.0, 0.0, 7.98312759399414, , , 0.5, 4.71874380111694, 0.0, 0.0, 0.0, 0.5, 1.0, 3.55457329750061, 0.0, 0.0, 2.38110160827637, 0.0, 2.39565467834473, 0.16666667163372, 1.04004192352295, 0.0, 0.0, 1.47517478466034, 0.0, 0.0, 0.157817542552948, 0.0, 0.0, 0.0, 1.0, -0.112798593938351, 1.0, 0.642228543758392, 0.0, 0.0, 0.0
InChI%3D1S%2FC15H13NO%2Fc1-10%2817%2916-13-6-7-15-12%289-13%298-11-4-2-3-5-14%2811%2915%2Fh2-7%2C9H%2C8H2%2C1H3%2C%28H%2C16%2C17%29, 0.0, 2.3773558139801 2.3773558139801, 3.18392443656921, 0.0165650006383657, 1.0, 0.0, 0.0, 4.29504156112671 4.29504156112671, 2.46687150001526, -0.00140737358015031, 0.0, 0.0, 5.76007175445557 5.76007175445557, -0.00379437138326466, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 92.0, 261.0, 1.02373147010803 1.02373147010803, 0.0, 0.0, 0.0, 0.0, 1.57566940784454 1.57566940784454, 0.0, 0.0, 0.0, 12.055401802063, 0.0, 0.0, 1.79495334625244 1.79495334625244, 0.0, 4.93827152252197, 0.0785674229264259, 0.0, 0.0, 0.0, 2.419753074646, 0.37359693646431, 0.0441941730678082, 1.0, 0.0, 0.628175258636475, 9.64298629760742, 0.153896108269691, 5.69331121444702, 0.218667790293694, , 5.9316611289978, 0.522997319698334, 0.0, 4.33439064025879, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.06816649436951, 0.0, 0.0797588974237442, 0.0, 2.38791012763977, 1.0, 0.0, 0.0, 1.6376713514328, 0.0, 0.0, 0.0, 0.0, 0.970469951629639, 0.0, 32.5900001525879, 0.0, 0.622137665748596, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.1344566345215, 4.0, 0.0, 19.6644630432129, 0.0, 0.0, 513.0, 0.0, 1155.05725097656, 1.0, 0.0, 28.3841133117676, 1.26940941810608, 1376.18273925781, 0.0, 0.0, 25.6644630432129, 0.0, 0.0, 0.0, 0.0, 1.4816472530365, 1981.28759765625, 21.9965553283691, 5.08746290206909, 25.0, 1804.4970703125, 0.0, 752.02001953125, 0.0, 1383.19506835938, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.0, 0.0, 11.8280630111694, 0.0, 0.0, 0.444444447755814, 8.23718357086182, 0.0, 0.0, 0.0, 1.21787130832672, 1.0, 7.67665481567383, 0.0, 0.0, 9.72837352752686, 0.0, 6.07788133621216, 0.191638320684433, 17.9952964782715, 0.0, 0.0, 5.5815896987915, 7.0, 0.0, 0.147502601146698, 0.0, 0.0, 0.0, 0.0, -0.0847619697451591, 0.0, 4.52099752426147, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H11IO3%2Fc1-4%287%296-9-3-5%282-8%2910-6%2Fh4-6%2C8H%2C2-3H2%2C1H3, 0.0, 1.4851268529892 1.4851268529892, 0.835406422615051, -0.0793997123837471, 2.0, 2.0, 0.0, 1.58329737186432 1.58329737186432, 0.136082768440247, 0.0883279070258141, 0.0, 0.0, 1.59039437770844 1.59039437770844, 0.0226432234048843, 1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 46.0, 89.0, 1.12669742107391 1.12669742107391, 0.0, 0.0, 0.0, 0.0, 0.96075040102005 0.96075040102005, 0.0, 0.577350258827209, 0.0, 8.10000038146973, 0.0, 0.0, 1.11569237709045 1.11569237709045, 0.0, 3.40828394889832, 0.117851130664349, 0.0, 0.0, 0.0, 1.99111115932465, 0.151374712586403, 0.039283711463213, 1.0, 0.0, 0.267528623342514, 7.94543743133545, 0.050458237528801, 4.50303983688354, 0.108646027743816, , 1.65096366405487, 1.01856088638306, 0.0, 4.28472709655762, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.93882322311401, 0.0, 0.140859037637711, 0.0, 1.18412029743195, 1.0, 0.0, 0.0, 0.802286446094513, 0.0, 0.0, 0.0, 0.0, 0.429510623216629, 0.0, 38.689998626709, 0.0, 0.0621117502450943, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 122.962066650391, 0.0, 0.0, 21.2263793945312, 0.5, 0.0, 121.0, 0.0, 649.232971191406, 0.0, 0.0, 34.8988609313965, 0.447213590145111, 689.927185058594, 0.0, 0.0, 38.2523918151855, 0.0, 0.0, 0.0, 0.0, 1.5, 836.4453125, 27.2384014129639, 4.32192802429199, 10.0, 590.442687988281, 0.0, 351.040008544922, 0.0, 391.256774902344, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 7.56047773361206, 0.0, 0.0, 0.5, 4.73638200759888, 0.0, 0.0, 0.0, 0.70412415266037, 0.0, 4.09142303466797, 3.0, 0.0, 0.5, 0.0, 3.10194778442383, 0.16666667163372, 2.94168281555176, 0.0, 0.0, 2.08992266654968, 0.0, 0.0, 0.448450475931168, 0.0, 0.0, 0.0, 0.0, -0.232230767607689, 0.0, 1.28006839752197, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H11N3O2%2Fc13-10-12-6-2-4-9%2812%298-3-1-5-11%2814%297-8%2Fh1%2C3%2C5%2C7%2C9H%2C2%2C4%2C6H2, 0.0, 1.77866232395172 1.77866232395172, 1.69196915626526, -0.000926096632611006, 3.0, 0.0, 0.0, 2.972580909729 2.972580909729, 0.997730374336243, -0.050382349640131, 0.0, 0.0, 3.55309414863586 3.55309414863586, 0.0259293131530285, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 70.0, 163.0, 0.740190446376801 0.740190446376801, 0.0, 0.142857149243355, 0.0, 0.0, 1.0788791179657 1.0788791179657, 0.0, 0.0, 0.0, 10.5155553817749, 0.0, 0.0, 1.01423323154449 1.01423323154449, 0.25, 4.67999982833862, 0.117851130664349, 0.0, 0.0, 0.0, 2.34319519996643, 0.234708055853844, 0.0912870913743973, 0.0, 0.0, 0.359116762876511, 7.66620922088623, 0.111313574016094, 4.59691333770752, 0.114271104335785, , 1.0, 0.330019861459732, 0.0, 3.39992547035217, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.51217174530029, 0.0, 0.0592965446412563, 0.0, 1.85703814029694, 0.0, 0.0, 0.0, 1.00133526325226, 0.0, 0.0, 0.0, 0.0, 0.519241631031036, 0.0, 55.7299995422363, 0.0, 0.266222029924393, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 16.6289024353027, 1.0, 0.0, 17.1316604614258, 0.0, 0.0, 295.0, 0.0, 730.971984863281, 0.0, 0.0, 22.3809471130371, 0.0, 847.509460449219, 0.0, 0.0, 20.4916648864746, 0.0, 0.0, 0.0, 0.0, 0.0, 1136.900390625, 18.685188293457, 4.80735492706299, 18.0, 946.937438964844, 0.0, 494.049987792969, 0.0, 752.163208007812, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.894427180290222, 5.0, 0.0, 9.96625518798828, 0.0, 0.0, 0.428571432828903, 6.80886173248291, 0.0, 0.0, 0.0, 0.75809121131897, 1.0, 5.79494333267212, 1.0, 0.0, 7.57547664642334, 0.0, 4.82470417022705, 0.136082768440247, 6.88320255279541, 0.0, 0.0, 4.06289482116699, 4.0, 0.0, 0.160902753472328, 0.0, 0.0, 0.0, 2.0, -0.0356525667011738, 1.0, 2.78025531768799, 0.0, 0.0, 0.0
InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29, 0.0, 0.40824830532074 0.40824830532074, 0.0, 0.0128357857465744, 0.0, 0.0, 0.0, 0.433012694120407 0.433012694120407, 0.0, 0.00833440199494362, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 26.0, 29.0, 0.115470051765442 0.115470051765442, 0.0, 0.0, 0.0, 0.0, 0.100000001490116 0.100000001490116, 0.0, 0.0, 0.0, 4.16666650772095, 0.0, 0.0, 0.0 0.0, 0.0, 1.63265311717987, 0.144337564706802, 0.0, 0.0, 0.0, 0.979591846466064, 0.144337564706802, 0.0333333350718021, 0.0, 0.0, 0.0, 3.54912781715393, 0.0333333350718021, 1.79694473743439, 0.0, , 0.0, 0.100000001490116, 0.0, 1.10355484485626, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.589406788349152, 0.0, 0.0, 0.0, 0.315737873315811, 1.0, 0.0, 0.0, 0.0666666701436043, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 25.7800006866455, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.71997594833374, 0.0, 0.0, 6.66474103927612, 0.0, 0.0, 26.0, 0.0, 177.625076293945, 0.0, 0.0, 8.02472877502441, 0.666666686534882, 182.786804199219, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 1.0, 206.013076782227, 0.0, 3.58496260643005, 2.0, 53.0506248474121, 0.0, 91.0199966430664, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.5, 0.0, 2.0, 0.0, 0.0, 0.0, 4.40577745437622, 0.0, 0.0, 0.333333343267441, 2.8938467502594, 0.0, 0.0, 0.0, 0.288675129413605, 0.0, 2.38962864875793, 0.0, 0.0, 1.0, 0.0, 1.64384686946869, 0.0, 1.0, 2.0, 0.0, 1.12993609905243, 2.0, 0.0, 0.126900359988213, 0.0, 0.0, 0.0, 0.0, -0.0846203714609146, 0.0, 0.288675129413605, 0.0, 0.0, 0.0
InChI%3D1S%2FC32H24N6O16S4.2Cu.4Na%2Fc33-19-11-17%2855%2843%2C44%2945%295-15-9-25%2857%2849%2C50%2951%2929%2831%2841%2927%2815%2919%2937-35-21-3-1-13%287-23%2821%2939%2914-2-4-22%2824%2840%298-14%2936-38-30-26%2858%2852%2C53%2954%2910-16-6-18%2856%2846%2C47%2948%2912-20%2834%2928%2816%2932%2830%2942%3B%3B%3B%3B%3B%3B%2Fh1-12%2C39-42H%2C33-34H2%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29%28H%2C49%2C50%2C51%29%28H%2C52%2C53%2C54%29%3B%3B%3B%3B%3B%3B%2Fq%3B2%2A%2B2%3B4%2A%2B1%2Fp-8%2Fb37-35-%2C38-36-%3B%3B%3B%3B%3B%3B, 0.0, 14.4179229736328 14.4179229736328, 10.9210119247437, -0.215494677424431, 0.0, 0.0, 0.0, 21.3481788635254 21.3481788635254, 9.35339832305908, -0.329357773065567, 0.0, 0.0, 32.1558609008789 32.1558609008789, 0.0441464371979237, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 326.0, 1445948288.0, 3.19496297836304 3.19496297836304, 0.0, 10.797119140625, 4.0, 0.0, 3.90794086456299 3.90794086456299, 0.0, 0.0, 0.0, 64.0, 0.0, 0.0, 4.63893127441406 4.63893127441406, 0.0, 24.2171993255615, 0.0, 0.0, 0.0, 0.0, 14.311767578125, 0.33791571855545, 0.0, 0.0, 0.0, 0.937020421028137, 26.6061840057373, 0.125863581895828, 16.1281356811523, 0.236950367689133, , 0.0, 1.6942892074585, 2.0, 12.261287689209, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.50894069671631, 4.0, 0.256974428892136, 0.0, 5.76682233810425, 0.0, 0.0, 0.0, 4.05001211166382, 0.0, 0.0, 0.0, 0.0, 2.47609996795654, 0.0, 456.040008544922, 0.0476190485060215, 1.51150071620941, 0.0, 0.868474066257477, 0.0, 0.0, 0.0, 0.0, 167.701370239258, 6.0, 0.0, 103.401390075684, 0.0, 0.0, 363000004608.0, 0.0, 4764.60888671875, 0.0, 0.0, 131.952713012695, 0.0, 5750.8828125, 0.0, 0.0, 144.746276855469, 0.0, 0.0, 0.0, 0.0, 0.0, 8696.419921875, 158.181365966797, 7.0, 110.0, 9451.75390625, 0.0, 2209.32006835938, 0.0, 8885.2431640625, 16.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.29482793807983, 0.0, 0.0, 0.0, 26.0, 0.0, 42.8607139587402, 0.0, 0.0, 0.999000012874603, 26.7500953674316, 0.0, 0.0, 0.0, 8.81057643890381, 4.0, 28.9362106323242, 0.0, 1.15470051765442, 9.36526298522949, 0.0, 21.4594135284424, 2.54207372665405, 37.7282447814941, 0.0, 0.0, 17.9481086730957, 12.0, 0.0, 1.98902487754822, 0.524377405643463, 0.0, 0.0, 8.0, -0.587993979454041, 0.0, 15.1876564025879, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H6N2O2%2Fc9-7-5-1-2-6%288-10%294-3-5%2Fh1-4%2C9-10H, 0.0, 0.985598564147949 0.985598564147949, 0.902368903160095, -0.0111094396561384, 0.0, 0.0, 0.0, 1.1148077249527 1.1148077249527, 0.402368932962418, -0.00136285496409982, 0.0, 0.0, 1.04044008255005 1.04044008255005, -0.027163190767169, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 44.0, 100.0, 0.238799259066582 0.238799259066582, 0.0, 0.142857149243355, 0.0, 0.0, 0.21273672580719 0.21273672580719, 0.0, 0.0, 0.0, 8.10000038146973, 0.0, 0.0, 0.176360830664635 0.176360830664635, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 2.28571438789368, 0.0833333358168602, 0.0, 2.0, 0.0, 0.117851130664349, 5.09825563430786, 0.0277777779847383, 2.66858077049255, 0.0248451996594667, , 0.333333343267441, 0.149071201682091, 0.0, 1.71639776229858, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.08064937591553, 0.0, 0.0, 0.0, 0.585965752601624, 0.0, 0.0, 0.0, 0.352732956409454, 0.0, 0.0, 0.0, 0.0, 0.117994658648968, 0.0, 65.1800003051758, 0.0, 0.028888888657093, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.2689142227173, 0.0, 0.0, 11.439302444458, 0.0, 0.0, 125.0, 0.0, 466.966552734375, 2.0, 0.0, 13.3289251327515, 0.0, 506.976989746094, 0.0, 0.0, 12.9931087493896, 0.0, 0.0, 0.0, 0.0, 0.0, 610.127685546875, 7.66073846817017, 4.32192802429199, 11.0, 487.342498779297, 0.0, 166.039993286133, 0.0, 219.663192749023, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.200000002980232, 6.0, 0.0, 0.0, 0.0, 0.0, 7.39734125137329, 0.0, 0.0, 0.428571432828903, 4.86370325088501, 4.0, 0.0, 0.0, 0.40824830532074, 2.0, 3.70324802398682, 0.0, 0.0, 3.30192732810974, 0.0, 3.12102699279785, 0.0, 5.65685415267944, 0.0, 0.0, 2.04798078536987, 0.0, 0.0, 0.0529448129236698, 0.0, 0.0, 0.0, 0.0, 0.00182349537499249, 0.0, 1.47140455245972, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H12ClN3O3%2Fc1-4%2811%293-8-6%2812%2910%289-13%295%282%297%2Fh4-5%2C11H%2C3H2%2C1-2H3%2C%28H%2C8%2C12%29, , 1.82679963111877 1.82679963111877, 0.426346361637115, 0.104724012315273, 1.0, 0.0, 1.0, 2.51716542243958 2.51716542243958, 0.358304977416992, -0.127821713685989, , 0.0, 2.09006261825562 2.09006261825562, 0.0498066768050194, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 54.0, 133.0, 0.634818494319916 0.634818494319916, 0.0, 0.577757060527802, 0.0, 0.0, 0.538956046104431 0.538956046104431, 0.0, 0.0, 0.0, 13.0, 0.0, 0.0, 0.381697088479996 0.381697088479996, 0.0, 6.45333337783813, 0.0, 0.0, 0.0, 0.0, 5.33333349227905, 0.0, 0.0, 2.0, 0.0, 0.0, 8.14001655578613, 0.0, 4.10362243652344, 0.0, , 0.965489387512207, 0.577800571918488, 0.0, 3.1215512752533, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.31169557571411, 0.0, 0.077012374997139, 0.0, 0.669717490673065, 2.0, 0.0, 0.0, 0.260017931461334, 0.0, 0.0, , 0.0, 0.118283443152905, 0.0, 85.4899978637695, 0.0, 0.0835764557123184, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 24.1161251068115, 0.0, 0.0, 16.1941165924072, 0.0, 0.0, 272.0, 0.142857149243355, 560.079223632812, 1.0, 0.0, 22.7433204650879, 0.63245552778244, 586.116027832031, 0.0, 0.0, 22.8540382385254, 0.0, 0.0, 0.0, 0.0, 2.18224716186523, 685.151123046875, 25.4611034393311, 4.70043992996216, 15.0, 632.646728515625, 0.0, 420.070007324219, 0.0, 518.903930664062, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 1.41421353816986, 1.0, 0.0, 10.430721282959, 0.0, 0.0, 0.428571432828903, 5.98526954650879, 0.0, 0.0, 0.0, 1.11336660385132, 2.0, 5.26460075378418, 2.0, 0.0, 0.0, 0.0, 3.25796985626221, 0.232307806611061, 1.5, 0.0, 0.0, 2.34114027023315, 0.0, 0.0, 0.34562623500824, 0.0, 0.0, 0.0, 1.0, -0.202249526977539, 1.0, 0.959681570529938, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H12N4O5%2Fc9-7-10-2-12%288%2816%2911-7%296-5%2815%294%2814%293%281-13%2917-6%2Fh2-6%2C13-15H%2C1H2%2C%28H2%2C9%2C11%2C16%29%2Ft3%3F%2C4-%2C5-%2C6%3F%2Fm1%2Fs1, 0.0, 3.43322372436523 3.43322372436523, 2.41229176521301, 0.161953657865524, 2.0, 1.0, 0.0, 5.33153676986694 5.33153676986694, 1.35123538970947, -0.234380409121513, 0.0, 0.0, 7.08817863464355 7.08817863464355, 0.157591789960861, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 88.0, 240.0, 1.15856325626373 1.15856325626373, 0.0, 1.24381601810455, 0.0, 0.0, 1.46273601055145 1.46273601055145, 0.0, 1.24080646038055, 0.0, 13.4320983886719, 0.0, 0.0, 1.59013366699219 1.59013366699219, 0.0, 5.32544374465942, 0.0785674229264259, 0.0, 0.0, 0.0, 2.55999994277954, 0.326092690229416, 0.0453609228134155, 4.0, 0.0, 0.601661562919617, 8.94528102874756, 0.115754850208759, 5.19533109664917, 0.145443856716156, , 5.9316611289978, 0.55485999584198, 0.0, 3.9709734916687, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.87000226974487, 0.0, 0.111196331679821, 0.0, 1.90305685997009, 0.0, 0.0, 0.0, 1.16443407535553, 0.0, 0.0, 0.0, 0.0, 0.610032260417938, 0.0, 141.300003051758, 0.0, 0.29176852107048, 0.0, 1.0, 0.0, 0.0, 0.0, 0.25, 22.3122978210449, 0.0, 0.0, 21.3220348358154, 0.0, 0.0, 496.0, 0.0, 907.697875976562, 1.0, 0.0, 32.283260345459, 0.0, 1070.31323242188, 0.0, 0.0, 35.1358375549316, 0.0, 0.0, 0.0, 0.0, 0.0, 1516.79711914062, 29.1673641204834, 5.08746290206909, 27.0, 1430.97229003906, 0.0, 884.090026855469, 0.0, 1107.89123535156, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 1.0, 3.0, 0.0, 12.5769853591919, 0.0, 0.0, 0.444444447755814, 8.04091262817383, 0.0, 2.0, 0.0, 1.34810972213745, 0.0, 7.34548091888428, 5.0, 0.0, 0.200000002980232, 0.0, 6.39535140991211, 0.437684178352356, 4.27112150192261, 0.0, 0.0, 5.02612113952637, 0.0, 0.0, 0.764472544193268, 0.0, 0.0, 0.0, 0.0, -0.429035246372223, 1.0, 3.58379697799683, 0.0, 0.0, 0.0
InChI%3D1S%2FC11H10N4%2Fc1-15-9-5-4-8-7%283-2-6-13-8%2910%289%2914-11%2815%2912%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29, 0.0, 2.9106605052948 2.9106605052948, 2.91870903968811, 0.108524136245251, 0.0, 0.0, 0.0, 4.71656513214111 4.71656513214111, 2.08540463447571, -0.0647538751363754, 0.0, 0.0, 6.74198770523071 6.74198770523071, 0.024546917527914, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 84.0, 182.0, 1.03717517852783 1.03717517852783, 0.0, 0.0, 0.0, 0.0, 1.38907468318939 1.38907468318939, 0.0, 0.0, 0.0, 10.1730108261108, 0.0, 0.0, 1.59772276878357 1.59772276878357, 0.0, 3.78559994697571, 0.0785674229264259, 0.0, 0.0, 0.0, 1.55555558204651, 0.39694020152092, 0.0279508493840694, 0.0, 0.0, 0.666987478733063, 8.28117847442627, 0.114389039576054, 4.74225807189941, 0.155846387147903, , 5.29611921310425, 0.431473314762115, 0.0, 3.56240057945251, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.7032482624054, 2.0, 0.113039240241051, 0.0, 1.87449431419373, 1.0, 0.0, 0.0, 1.25759768486023, 0.0, 0.0, 0.0, 0.0, 0.696886301040649, 0.0, 52.0099983215332, 0.0, 0.403339833021164, 0.0, 0.577350258827209, 0.0, 0.0, 0.0, 0.5, 16.4399528503418, 1.0, 0.0, 18.3294811248779, 0.0, 0.0, 324.0, 0.0, 1036.88159179688, 1.0, 0.0, 27.2432613372803, 1.04397451877594, 1253.43103027344, 0.0, 0.0, 26.9942226409912, 0.0, 0.0, 0.0, 0.0, 1.67081260681152, 1846.97192382812, 19.5232849121094, 4.90689039230347, 25.0, 1721.62670898438, 0.0, 519.039978027344, 0.0, 1178.408203125, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.63245552778244, 7.0, 0.0, 10.4138488769531, 0.0, 0.0, 0.428571432828903, 7.2708568572998, 0.0, 1.0, 0.0, 1.00306725502014, 0.0, 6.68555355072021, 0.0, 0.0, 4.20685720443726, 0.0, 6.15541410446167, 0.393802672624588, 9.65257549285889, 1.0, 0.0, 5.16485643386841, 5.0, 0.0, 0.219338864088058, 0.0, 0.0, 0.0, 0.0, -0.172578155994415, 1.0, 4.26659250259399, 0.0, 0.0, 0.0
InChI%3D1S%2FC5H10N2O3%2Fc1-7%286-10%294-2-3-5%288%299%2Fh2-4H2%2C1H3%2C%28H%2C8%2C9%29, , 0.781474411487579 0.781474411487579, 0.485702246427536, 0.0493883118033409, 3.0, 0.0, 0.0, 0.55258584022522 0.55258584022522, 0.16666667163372, -0.0204417463392019, , 0.0, 0.34552201628685 0.34552201628685, -0.0723515152931213, , 0.0, 0.75, 0.0, 0.0, 0.0, 38.0, 98.0, 0.203378573060036 0.203378573060036, 0.0, 0.650697648525238, 0.0, 0.0, 0.143810361623764 0.143810361623764, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.0786566063761711 0.0786566063761711, 0.0, 5.76000022888184, 0.0, 0.0, 0.0, 0.0, 7.0, 0.0, 0.0, 1.0, 0.0, 0.0, 5.77945756912231, 0.0, 2.92729997634888, 0.0, , 0.0, 0.205971077084541, 0.0, 1.96019756793976, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.01174747943878, 0.0, 0.0, , 0.499932050704956, 1.0, 0.0, 0.0, 0.210909992456436, , , , 0.0, 0.112309105694294, 0.0, 69.9700012207031, 0.0, 0.0123475287109613, , 0.0, 0.0, 0.0, , 0.0, 13.0433835983276, 0.0, , 10.910008430481, 0.0, , 146.0, 0.0, 313.257110595703, 1.0, 0.0, 12.4906749725342, 1.04004192352295, 309.374664306641, 0.0, 0.0, 9.66073799133301, 0.0, 0.0, 0.0, , 0.200000002980232, 320.277740478516, 7.32864665985107, 4.32192802429199, 8.0, 250.010055541992, 0.0, 271.049987792969, 0.0, 182.89128112793, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 1.0, 0.0, , , 1.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 2.0, 0.0, 7.98312759399414, , , 0.428571432828903, 4.66390228271484, 0.0, 0.0, 0.0, 0.696923434734344, 1.0, 3.83817052841187, 0.0, 0.0, 2.38110160827637, , 2.17532134056091, 0.0, 1.65096366405487, 0.0, 0.0, 1.07868528366089, 0.0, 0.0, 0.254600375890732, 0.0, 0.0, 0.0, 2.0, -0.126329034566879, 1.0, 0.581224262714386, 0.0, 0.0, 0.0
InChI%3D1S%2FC9H12%2Fc1-7-4-5-8%282%299%283%296-7%2Fh4-6H%2C1-3H3, , 1.47827804088593 1.47827804088593, 0.504473328590393, 0.0, 0.0, , , 1.55802857875824 1.55802857875824, 0.0680413842201233, 0.0, , , 2.07593297958374 2.07593297958374, 0.0, , 0.0, 0.666666686534882, , , , 42.0, 67.0, 0.790402293205261 0.790402293205261, , 0.0, , 0.0, 0.711787641048431 0.711787641048431, 0.0, 0.0, , 7.11111116409302, 0.0, , 0.838514804840088 0.838514804840088, 0.0, 2.72222232818604, 0.0, 0.0, , 0.0, 1.70414197444916, 0.0680413842201233, 0.0, , 0.0, 0.20412415266037, 6.23205089569092, 0.0240562614053488, 3.23803377151489, 0.0721687823534012, , 1.65096366405487, 0.455341815948486, 0.0, 2.58771324157715, 0.0, 0.0, , 0.0, , 0.0, 1.66241073608398, 0.0, 0.0833333358168602, , 0.891346037387848, 3.0, 0.0, , 0.562731385231018, , , , 0.0, 0.186004236340523, , 0.0, 0.0, 0.0240562614053488, , 0.0, 0.0, 0.0, , 0.0, 9.0, 3.0, , 9.0, 0.0, , 84.0, 0.766309440135956, 487.7451171875, 0.0, 0.0, 12.0, 3.47938084602356, 525.672973632812, 0.0, 0.0, 10.0, 0.0, 0.0, , , 4.44149208068848, 663.194458007812, 4.0, 4.16992521286011, 10.0, 510.820190429688, , 369.0, 0.0, 182.159240722656, 3.0, , , 0.0, , 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 3.0, 0.0, , , 0.0, 0.0, 0.0, 0.0, 3.0, , 6.85337114334106, , , 0.400000005960464, 4.19837713241577, 0.0, 0.0, , 0.760079681873322, , 3.87279200553894, 0.0, 0.0, 1.65096366405487, , 2.86036610603333, 0.16666667163372, 5.85380077362061, , , 1.81676292419434, 3.0, , 0.0, 0.0, 0.0, , , 0.0, , 1.33160018920898, , , 0.0
InChI%3D1S%2FC5H8O2%2Fc1-5%282%293-7-4%285%296%2Fh3H2%2C1-2H3, 0.0, 2.42532134056091 2.42532134056091, 0.0, 0.0748017728328705, 1.0, 1.0, 0.0, 1.35882472991943 1.35882472991943, 0.0, -0.0572047531604767, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 36.0, 35.0, 0.923733294010162 0.923733294010162, 0.0, 0.0, 0.0, 0.0, 0.478695034980774 0.478695034980774, 0.0, 0.5, 0.0, 5.14285707473755, 0.144337564706802, 0.0, 0.0589255653321743 0.0589255653321743, 0.0, 1.23966944217682, 0.433012694120407, 1.0, 0.0, 0.0721687823534012, 0.666666686534882, 0.433012694120407, 0.173800349235535, 0.0, 0.0, 0.144337564706802, 4.52360343933105, 0.131094351410866, 2.30047678947449, 0.0294627826660872, , 0.0, 0.998773455619812, 0.0, 2.46001601219177, 0.0, 1.0, 0.0, 0.176776692271233, 0.0, 0.0, 1.11669290065765, 0.0, 0.100592233240604, 0.0, 0.347600698471069, 2.0, 0.0294627826660872, 0.0, 0.0589255653321743, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 26.2999992370605, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.54893779754639, 0.0, 0.0, 7.99627590179443, 0.0, 0.0, 40.0, 0.5, 239.955505371094, 1.0, 0.0, 10.4386529922485, 1.0, 266.517852783203, 1.0, 0.0, 6.66045999526978, 0.0, 0.0, 0.0, 0.0, 1.0, 297.67236328125, 0.0, 3.80735492706299, 5.0, 127.645317077637, 0.0, 183.020004272461, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.49156379699707, 0.0, 0.0, 0.333333343267441, 3.12782716751099, 0.0, 0.0, 0.0, 1.2546010017395, 0.0, 3.42830395698547, 0.0, 0.20412415266037, 0.0, 0.0, 2.55574822425842, 0.492799282073975, 0.5, 0.0, 0.0, 0.866025388240814, 0.0, 0.0, 0.272739320993423, 0.144337564706802, 1.0, 0.0, 1.0, -0.153966680169106, 0.0, 0.288675129413605, 0.0, 0.0, 0.0
InChI%3D1S%2FC8H11N.ClH%2Fc1-6-3-4-7%282%298%289%295-6%3B%2Fh3-5H%2C9H2%2C1-2H3%3B1H, 0.0, 1.47827804088593 1.47827804088593, 0.504473328590393, -0.00417229766026139, 0.0, 0.0, 0.0, 1.55802857875824 1.55802857875824, 0.0680413842201233, -0.000505343312397599, 0.0, 0.0, 2.07593297958374 2.07593297958374, -1.74767610587878e-05, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 42.0, 820130816.0, 0.602670907974243 0.602670907974243, 0.0, 0.0, 0.0, 0.0, 0.524786233901978 0.524786233901978, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.638621687889099 0.638621687889099, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 2.65088748931885, 0.0680413842201233, 0.0, 0.0, 0.0, 0.20412415266037, 7.03414583206177, 0.0240562614053488, 3.02670907974243, 0.0620014108717442, , 1.65096366405487, 0.394337564706802, 1.0, 2.36004233360291, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.43473982810974, 0.0, 0.0481125228106976, 0.0, 0.759900152683258, 2.0, 0.0, 0.0, 0.524786233901978, 0.0, 0.0, 0.0, 0.0, 0.148059085011482, 0.0, 26.0200004577637, 0.0, 0.0138888889923692, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.0727424621582, 2.0, 0.0, 9.16618537902832, 0.0, 0.0, 9000000512.0, 0.200000002980232, 483.208160400391, 0.0, 0.0, 12.3323707580566, 2.44948983192444, 513.632202148438, 0.0, 0.0, 10.498556137085, 0.0, 0.0, 0.0, 0.0, 2.80396580696106, 646.986633300781, 4.33237028121948, 4.32192802429199, 10.0, 496.295166015625, 0.0, 351.019989013672, 0.0, 175.91911315918, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 6.85337114334106, 0.0, 0.0, 0.999000012874603, 4.19837713241577, 0.0, 0.0, 0.0, 0.760079681873322, 0.0, 3.87279200553894, 0.0, 0.0, 1.65096366405487, 0.0, 2.86036610603333, 0.16666667163372, 5.85380077362061, 0.0, 0.0, 1.81676292419434, 3.0, 0.0, 0.0269169583916664, 0.0, 0.0, 0.0, 0.0, -0.00876344181597233, 0.0, 1.33160018920898, 0.0, 0.0, 0.0
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InChI%3D1S%2FC9H13N.ClH%2Fc1-6-4-7%282%299%2810%298%283%295-6%3B%2Fh4-5H%2C10H2%2C1-3H3%3B1H, 0.0, 2.00613451004028 2.00613451004028, 0.69780433177948, -0.00386322080157697, 0.0, 0.0, 0.0, 2.69851565361023 2.69851565361023, 0.111111111938953, -0.000693121750373393, 0.0, 0.0, 3.27736973762512 3.27736973762512, -6.39677546132589e-06, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 48.0, -1474836480.0, 0.849679350852966 0.849679350852966, 0.0, 0.0, 0.0, 0.0, 1.12373566627502 1.12373566627502, 0.0, 0.0, 0.0, 11.0, 0.0, 0.0, 1.08678770065308 1.08678770065308, 0.0, 4.13265323638916, 0.0, 0.0, 0.0, 0.0, 2.5, 0.0555555559694767, 0.0, 0.0, 0.0, 0.222222223877907, 7.95679569244385, 0.020833333954215, 3.44337558746338, 0.0745281279087067, , 3.53277564048767, 0.527510583400726, 1.0, 2.8123927116394, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.73803389072418, 0.0, 0.0833333358168602, 0.0, 1.19118571281433, 3.0, 0.0, 0.0, 0.484116762876511, 0.0, 0.0, 0.0, 0.0, 0.262891709804535, 0.0, 26.0200004577637, 0.0, 0.0240562614053488, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.0727424621582, 3.0, 0.0, 10.1661853790283, 0.0, 0.0, 10000000000.0, 0.75, 584.841003417969, 0.0, 0.0, 14.3323707580566, 2.38110160827637, 635.339721679688, 0.0, 0.0, 13.664740562439, 0.0, 0.0, 0.0, 0.0, 5.4989185333252, 836.310852050781, 7.16618537902832, 4.45943164825439, 13.0, 706.945068359375, 0.0, 466.019989013672, 0.0, 323.829498291016, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 7.72361469268799, 0.0, 0.0, 0.999000012874603, 4.60906076431274, 0.0, 0.0, 0.0, 0.952529728412628, 0.0, 4.39026069641113, 0.0, 0.0, 0.5, 0.0, 3.34344482421875, 0.272165536880493, 5.11154460906982, 0.0, 0.0, 2.35571956634521, 2.0, 0.0, 0.0268570054322481, 0.0, 0.0, 0.0, 0.0, -0.00886556040495634, 0.0, 1.30466866493225, 0.0, 0.0, 0.0
InChI%3D1S%2FC6H4N4O4%2Fc7-6-9-8-5%2814-6%293-1-2-4%2813-3%2910%2811%2912%2Fh1-2H%2C%28H2%2C7%2C9%29, 0.0, 2.28916168212891 2.28916168212891, 1.74958980083466, -0.0646698474884033, 0.0, 1.0, 0.0, 2.90863704681396 2.90863704681396, 0.952015101909637, 0.292658805847168, 0.0, 0.0, 3.23302745819092 3.23302745819092, -0.247293889522552, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 72.0, 181.0, 0.443629264831543 0.443629264831543, 0.0, 0.5, 0.0, 0.0, 0.506465673446655 0.506465673446655, 0.0, 0.942809045314789, 0.0, 10.5155553817749, 0.0, 0.0, 0.414641737937927 0.414641737937927, 0.0, 4.24489784240723, 0.235702261328697, 0.0, 0.0, 0.0, 2.34319519996643, 0.321975260972977, 0.0634834766387939, 0.0, 0.0, 0.435857951641083, 6.81225776672363, 0.0643191561102867, 3.67486381530762, 0.060931321233511, , 2.52506470680237, 0.267970412969589, 0.0, 2.52946448326111, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.60345101356506, 0.0, 0.0226729940623045, 0.0, 1.0183277130127, 0.0, 0.0, 0.0, 0.504290342330933, 0.0, 0.0, 0.0, 0.0, 0.264328092336655, 0.0, , 0.0, 0.114575482904911, 0.0, 0.816496610641479, 0.0, 0.0, 0.0, 0.142857149243355, 18.5378284454346, 0.0, 0.0, 18.4600296020508, 0.333333343267441, 0.0, 310.0, 0.0, 575.035888671875, 1.0, 0.0, 27.0056133270264, 0.0, 667.781494140625, 0.0, 0.0, 21.0640640258789, 0.0, 0.0, 0.0, 0.0, 0.0, 914.364440917969, 17.7090358734131, 4.80735492706299, 16.0, 651.739013671875, 0.0, 259.079986572266, 0.0, 553.567321777344, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.365148365497589, 3.0, 0.0, 10.1293916702271, 0.0, 0.0, 0.5, 6.66470384597778, 0.0, 2.0, 0.0, 1.12200844287872, 0.0, 6.25553274154663, 1.0, 0.0, 1.0, 0.0, 4.85859775543213, 0.25, 3.69772696495056, 0.0, 0.0, 3.76564860343933, 2.0, 0.0, 0.493952929973602, 0.0, 0.0, 1.0, 2.0, -0.286350935697556, 0.0, 2.46063017845154, 0.0, 0.0, 0.0