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

SMILES,VP-2,VC-4,MDEC-34,topoShape,VC-5,VP-3,khs.ddssS,VC-6,VP-4,VP-5,MDEN-11,VP-6,MDEO-22,VP-7,MDEN-12,C1SP2,khs.ssCH2,MDEN-13,C1SP3,ATSc1,khs.aasC,Kier1,ATSc2,VAdjMat,MDEC-11,Zagreb,SPC-4,Kier2,ATSc3,PetitjeanNumber,MDEC-12,WPOL,SPC-5,Kier3,ATSc4,MDEC-13,SPC-6,ATSc5,MDEC-14,khs.tN,VPC-4,VPC-5,MDEC-44,khs.dssC,VPC-6,khs.dNH,khs.aaNH,TopoPSA,khs.sBr,C3SP2,MDEN-22,khs.ssssC,MDEN-23,SCH-3,khs.dsN,C3SP3,SCH-4,khs.aaCH,khs.ddsN,SP-0,khs.aaN,SCH-5,SC-3,SP-1,khs.aaO,VCH-3,SCH-6,MDEC-22,SC-4,SP-2,VCH-4,SCH-7,MDEC-23,SC-5,khs.ssNH,SP-3,khs.sCl,VCH-5,MDEC-24,SC-6,SP-4,khs.ssO,fragC,ATSm1,VCH-6,SP-5,khs.dsCH,VCH-7,geomShape,SP-6,ATSm2,ECCEN,WPATH,khs.dO,SP-7,ATSp1,khs.sF,ATSp2,MDEO-11,khs.ssS,khs.sssN,ATSm3,ATSp3,MDEO-12,ATSm4,ATSp4,khs.sssCH,ATSm5,khs.sOH,ATSp5,C2SP2,MDEN-33,C2SP3,khs.sNH2,khs.aaaC,khs.sCH3,VP-0,VP-1,VC-3,MDEC-33
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InChI%3D1S%2FC3H6O2%2Fc4-1-3-2-5-3%2Fh3-4H%2C1-2H2,1.13791596889496,0.0,0.0,0.5,0.0,0.439337313175201,0.0,0.0,0.105409257113934,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.277053087949753,0.0,3.20000004768372,-0.100388512015343,3.32192802429199,0.0,22.0,0.20412415266037,1.0,-0.0761098116636276,0.333333343267441,0.0,2.0,0.0,0.639999985694885,0.0379717871546745,0.0,0.0,0.0,0.0,0.0,0.0527046285569668,0.0,0.0,0.0,0.0,0.0,0.0,32.7599983215332,0.0,0.0,0.0,0.0,0.0,0.288675129413605,0.0,0.0,0.20412415266037,0.0,0.0,3.69867062568665,0.0,0.0,0.20412415266037,2.4318516254425,0.0,0.16666667163372,0.0,0.5,0.0,1.85162401199341,0.117851130664349,0.0,2.0,0.0,0.0,0.985598564147949,0.0,0.0,0.0,0.0,0.40824830532074,1.0,101.019996643066,6.54893827438354,0.0,0.0,0.0,0.0,0.842918336391449,0.0,5.99627590179443,25.0,17.0,0.0,0.0,108.833946228027,0.0,114.96305847168,0.0,0.0,0.0,3.66418385505676,65.0820922851562,0.333333343267441,3.10656094551086,32.9785003662109,1.0,0.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,2.84702563285828,1.65710175037384,0.117851130664349,0.0
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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%29,4.40403032302856,0.0,0.0,0.800000011920929,0.0340206921100616,3.40361046791077,0.0,0.0,2.51868653297424,1.50659394264221,0.111111111938953,0.904206097126007,0.0,0.471527725458145,1.15470051765442,0.0,1.0,0.0,1.0,0.133217498660088,2.0,10.5155553817749,-0.104584738612175,4.80735492706299,0.0,70.0,1.79574406147003,4.67999982833862,0.0515047647058964,0.444444447755814,0.0,17.0,2.40597558021545,2.53439998626709,-0.00813751015812159,0.0,2.81221532821655,0.00181239494122565,0.0,0.0,0.969276964664459,1.34551644325256,0.0,0.0,1.3109050989151,0.0,0.0,105.199996948242,0.0,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,9.96625518798828,0.0,0.117851130664349,0.826132595539093,6.79202508926392,0.0,0.0,0.234708055853844,4.25141477584839,0.0,5.86735773086548,0.0,0.359116762876511,9.28654956817627,0.0833333358168602,2.0,4.88631916046143,0.0,0.144337564706802,0.0,0.0,3.66984391212463,0.0,659.049987792969,21.5677051544189,0.172115340828896,2.75011658668518,0.0,0.193159401416779,0.658599197864532,1.85044085979462,19.3642997741699,199.0,316.0,0.0,0.997713088989258,1016.06811523438,0.0,1159.12255859375,0.0,1.0,0.0,27.0876274108887,1536.21325683594,0.0,22.1403484344482,1226.01843261719,2.0,17.3366813659668,0.0,940.0625,5.0,0.0,1.0,2.0,0.0,0.0,8.5506534576416,5.53479862213135,0.471288859844208,2.18224716186523
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%29,6.5065655708313,0.0,0.0,0.857142865657806,0.151469692587852,4.83308792114258,0.0,0.0,3.47943186759949,2.28589010238647,0.0,1.43611574172974,0.0909090936183929,0.881629109382629,0.0,1.0,1.0,0.0,3.0,0.588057518005371,7.0,18.7810649871826,-0.277344197034836,5.58496236801147,0.855542063713074,126.0,4.33941173553467,8.13148307800293,-0.0490234531462193,0.461538463830948,3.27204895019531,39.0,6.55996513366699,4.06559991836548,-0.0712273344397545,6.7122049331665,8.71617889404297,0.132629066705704,0.0,0.0,1.83377695083618,2.49008822441101,0.0,0.0,2.80936861038208,0.0,0.0,93.4100036621094,0.0,2.0,0.814325273036957,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,17.267219543457,1.0,0.0962250456213951,1.67072820663452,11.5284070968628,0.0,0.0,0.315235257148743,2.40337419509888,0.0,10.2978897094727,0.0,0.642931520938873,11.2818155288696,0.472201973199844,2.0,9.13009738922119,0.0,0.0360843911767006,0.0,0.0,7.33065891265869,2.0,1657.06994628906,33.5311241149902,0.113149493932724,5.54295110702515,0.0,0.189652025699615,0.829048335552216,3.82479858398438,34.2214508056641,513.0,1419.0,1.0,2.61286687850952,1831.62060546875,0.0,2151.85913085938,0.0,0.0,0.0,46.4125518798828,3052.03735351562,0.308606714010239,51.0500640869141,3004.08813476562,1.0,45.5007095336914,0.0,2507.6748046875,8.0,0.0,0.0,0.0,0.0,4.0,14.632926940918,8.38192462921143,0.881479382514954,7.65446805953979
InChI%3D1S%2FCH2ClF%2Fc2-1-3%2Fh1H2,0.303045749664307,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.161535024642944,0.0,3.0,-0.105048194527626,2.58496260643005,0.0,6.0,0.0,2.0,0.0242806822061539,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.70710682868958,0.0,0.0,0.0,1.41421353816986,0.0,0.0,0.0,0.0,0.0,0.70710676908493,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,10.0200004577637,12.2147979736328,0.0,0.0,0.0,0.0,0.441706299781799,0.0,4.533522605896,6.0,4.0,0.0,0.0,44.1005363464355,1.0,30.7144584655762,0.0,0.0,0.0,4.66901445388794,11.5047273635864,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.21896457672119,1.06904494762421,0.0,0.0
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%2C2H3,7.79806137084961,0.141590550541878,2.83667850494385,1.0,0.726252615451813,7.10047435760498,0.0,0.199757739901543,5.82190704345703,4.50700235366821,0.0,3.24103736877441,0.0,2.38859844207764,0.0,2.0,0.0,0.0,4.0,0.735583603382111,4.0,29.5544185638428,-0.513915777206421,6.12928295135498,0.5,182.0,6.61532211303711,12.69753074646,0.177283003926277,0.5,3.41147565841675,50.0,10.8521718978882,10.0017232894897,0.0135939018800855,1.35937869548798,14.6849966049194,-0.0489122979342937,1.03291809558868,0.0,4.29852485656738,7.0228099822998,0.225138455629349,2.0,9.25261974334717,0.0,0.0,40.4599990844727,0.0,4.0,2.94168281555176,2.0,0.0,0.0,3.0,0.0,0.0,8.0,0.0,15.5351696014404,0.0,0.0721687823534012,2.3372950553894,10.4831123352051,0.0,0.0,0.459775775671005,18.7284889221191,0.227062076330185,10.2627420425415,0.0,1.06862235069275,20.1678562164307,1.22124040126801,1.0,9.77254295349121,0.0,0.0721687823534012,6.42616891860962,0.448623448610306,8.03020572662354,0.0,2174.10009765625,45.4522171020508,0.347061187028885,6.55419063568115,6.0,0.712453961372375,0.935208976268768,5.0547513961792,41.8478088378906,923.0,4426.0,0.0,3.95161271095276,1874.59851074219,6.0,2345.3486328125,0.0,0.0,0.0,68.5800476074219,3711.65356445312,0.0,59.6956214904785,3939.37255859375,0.0,48.4770889282227,0.0,3001.29565429688,13.0,0.0,0.0,0.0,0.0,2.0,13.1785202026367,8.50334453582764,1.56142044067383,2.6993362903595
InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298,5.55798292160034,0.728931486606598,0.0,0.5,3.7193877696991,2.89285707473755,0.0,2.81159281730652,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.292480915784836,0.0,8.0,-0.109680347144604,4.0,0.0,38.0,4.5,1.75,-0.146240457892418,0.333333343267441,0.0,9.0,1.5,2.22222232818604,0.109680347144604,0.0,0.0,0.0,0.0,0.0,6.56038331985474,2.47959184646606,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,2.5,3.25,0.0,0.0,0.0,0.0,0.5,4.5,0.0,0.0,0.0,2.25,0.0,2.25,6.0,0.0,0.0,1.5,0.0,0.0,7.05999994277954,54.2765197753906,0.0,0.0,0.0,0.0,0.592888712882996,0.0,18.7104244232178,34.0,58.0,0.0,0.0,708.911071777344,0.0,771.783020019531,0.0,0.0,0.0,69.986946105957,998.993408203125,0.0,78.4147796630859,581.665893554688,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.80336046218872,3.65168023109436,3.38643431663513,0.0
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InChI%3D1S%2FC4H8N4O2%2Fc9-5-7-2-1-3-8%284-7%296-10%2Fh1-4H2,2.11838674545288,0.0,0.0,1.0,0.0,1.38988673686981,0.0,0.0,0.898887276649475,0.543834984302521,0.0,0.159938678145409,0.0,0.0480618439614773,0.0,0.0,4.0,0.0,2.0,0.127787634730339,0.0,8.10000038146973,-0.0815860629081726,4.32192802429199,0.0,44.0,0.932625710964203,4.0,0.107379138469696,0.5,0.0,11.0,1.22850155830383,2.28571438789368,-0.100789979100227,0.0,1.35230541229248,0.0290541704744101,0.0,0.0,0.312513738870621,0.360740959644318,0.0,0.0,0.32061642408371,0.0,0.0,65.3399963378906,,0.0,0.25,0.0,2.30940103530884,0.0,2.0,0.0,0.0,0.0,0.0,7.39734125137329,0.0,0.0,0.40824830532074,4.86370325088501,0.0,0.0,0.0833333358168602,3.53277564048767,0.0,3.71515321731567,0.0,0.117851130664349,0.0,0.0,0.0,3.04611206054688,0.0,0.0,0.0,0.0,2.14388990402222,0.0,234.059997558594,12.9888906478882,0.0500000007450581,1.59341299533844,0.0,0.0447213612496853,0.538986384868622,0.745812296867371,12.4916486740112,90.0,121.0,2.0,0.353553384542465,367.281616210938,0.0,400.615081787109,0.16666667163372,0.0,2.0,14.4640312194824,482.839569091797,0.0,13.7130851745605,379.424194335938,0.0,9.46347427368164,0.0,185.4072265625,0.0,0.5,1.0,0.0,0.0,0.0,5.43377828598022,3.03005933761597,0.200000002980232,0.0
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InChI%3D1S%2FC2H3F%2Fc1-2-3%2Fh2H%2C1H2,0.154303357005119,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0702685862779617,0.0,3.0,-0.0280794370919466,2.58496260643005,0.0,6.0,0.0,2.0,-0.00705485558137298,0.5,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.70710682868958,0.0,0.0,0.0,1.41421353816986,0.0,0.0,0.0,0.0,0.0,0.70710676908493,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.0100002288818,4.50204420089722,0.0,0.0,1.0,0.0,0.554857313632965,0.0,2.58178520202637,6.0,4.0,0.0,0.0,36.8776245117188,1.0,25.1212348937988,0.0,0.0,0.0,1.58178508281708,10.5563592910767,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.66242146492004,0.626466155052185,0.0,0.0
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InChI%3D1S%2FC12H26N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-14%282%2913-15%2Fh3-12H2%2C1-2H3,4.29133272171021,0.0,0.0,0.857142865657806,0.0,2.72465872764587,0.0,0.0,1.69211292266846,1.07150459289551,0.0,0.669279813766479,0.0,0.410752266645432,0.0,0.0,10.0,0.0,2.0,0.0618683211505413,0.0,15.0,-0.0366798937320709,4.90689039230347,0.0833333358168602,56.0,0.492799282073975,12.0714282989502,0.0339780114591122,0.461538463830948,3.91727495193481,13.0,0.348461717367172,11.928994178772,-0.0256960652768612,0.0,0.246399641036987,-0.00233474373817444,0.0,0.0,0.157735019922256,0.111535504460335,0.0,0.0,0.0788675099611282,0.0,0.0,32.6699981689453,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,11.3555250167847,0.0,0.0,0.288675129413605,7.30806064605713,0.0,0.0,0.0,15.159595489502,0.0,5.13052225112915,0.0,0.0,0.0,0.0,0.0,3.49740028381348,0.0,0.0,0.0,0.0,2.00758361816406,0.0,1390.03002929688,16.4944458007812,0.0,1.29457592964172,0.0,0.0,0.851166844367981,0.827015101909637,15.2458248138428,277.0,538.0,1.0,0.522287964820862,673.723327636719,0.0,658.997741699219,0.0,0.0,1.0,15.0520219802856,647.329223632812,0.0,13.9965543746948,587.957580566406,0.0,11.6644620895386,0.0,516.498352050781,0.0,0.0,9.0,0.0,0.0,2.0,10.373743057251,6.35312223434448,0.141421362757683,0.0
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InChI%3D1S%2FC32H40BrN5O5%2Fc1-16%282%2912-24-29%2840%2937-11-7-10-25%2837%2932%2842%2938%2824%2930%2841%2931%2843-32%2C17%283%294%2935-28%2839%2918-13-20-19-8-6-9-22-26%2819%2921%2827%2833%2934-22%2914-23%2820%2936%285%2915-18%2Fh6%2C8-9%2C13%2C16-18%2C23-25%2C34%2C42H%2C7%2C10-12%2C14-15H2%2C1-5H3%2C%28H%2C35%2C39%29,14.3119926452637,0.0499225407838821,6.97863531112671,1.0,0.681207358837128,10.7652025222778,0.0,0.04542126506567,8.57190132141113,6.51575469970703,0.0,4.65621948242188,0.0,3.11130166053772,0.0,3.0,6.0,0.0,8.0,0.972949683666229,3.0,31.5918369293213,-0.623677730560303,6.42626476287842,1.52091085910797,256.0,11.4404754638672,11.3126106262207,0.155459210276604,0.5,6.61270570755005,92.0,20.5324516296387,4.74542760848999,0.147209987044334,11.9409484863281,33.6445198059082,-0.369677841663361,2.26899552345276,0.0,5.40634536743164,8.13856983184814,0.5,4.0,11.3592596054077,0.0,1.0,,1.0,1.0,0.125,2.0,1.01408660411835,0.0,1.0,6.0,0.0,3.0,0.0,30.5846939086914,1.0,0.255344122648239,4.4553074836731,20.3685703277588,0.0,0.0,0.824619114398956,7.6308388710022,0.201184466481209,20.5013065338135,0.0,1.92423570156097,28.9527835845947,1.82215714454651,0.0,18.2210941314697,0.0,0.142059713602066,3.72748470306396,0.218842089176178,16.7177753448486,1.0,5938.10986328125,91.9303741455078,0.361983865499496,14.5919456481934,1.0,0.68848043680191,0.700018286705017,11.1564846038818,58.8056373596191,1223.0,5950.0,2.0,8.49704551696777,3892.50024414062,0.0,4899.67919921875,1.11716175079346,0.0,3.0,100.655982971191,7805.1904296875,1.20855021476746,121.302955627441,8698.0771484375,6.0,128.101608276367,2.0,8566.5615234375,1.0,0.522757947444916,12.0,0.0,2.0,5.0,26.8353443145752,16.1788005828857,2.59944033622742,21.7924346923828
InChI%3D1S%2FC7H4N2O3S%2Fc10-9%2811%297-2-1-6%2812-7%295-3-13-4-8-5%2Fh1-4H,2.9873628616333,0.0,0.0,0.75,0.0239986199885607,2.04299592971802,0.0,0.0,1.43887102603912,0.649422585964203,0.0,0.391107171773911,0.0,0.201531767845154,0.0,1.0,2.0,0.0,1.0,0.292477875947952,2.0,9.55102062225342,-0.1414924710989,4.70043992996216,0.0,66.0,1.93999695777893,4.02216053009033,-0.0745581761002541,0.428571432828903,0.0,14.0,2.45438528060913,2.08333325386047,0.140568628907204,0.0,2.66758871078491,-0.0615615732967854,0.0,0.0,0.440346926450729,0.597615480422974,0.0,0.0,0.494655221700668,0.0,0.0,100.089996337891,0.0,0.0,0.0,0.0,0.200000002980232,0.0,0.0,0.0,0.0,2.0,1.0,9.25914859771729,0.0,0.262188702821732,0.833333313465118,6.2708568572998,1.0,0.0,0.219416096806526,2.14426136016846,0.0,5.62176561355591,0.0,0.389442652463913,5.8319354057312,0.25,1.0,4.52305269241333,0.0,0.125307783484459,0.0,0.0,3.51516914367676,0.0,328.059997558594,22.1711368560791,0.0778684094548225,2.05578207969666,0.0,0.0824442580342293,0.908370077610016,1.59731233119965,19.6092414855957,152.0,250.0,2.0,0.848921060562134,692.462463378906,0.0,791.564575195312,0.5,1.0,0.0,26.2702007293701,1050.73413085938,0.666666686534882,19.2670211791992,698.206665039062,1.0,19.3852005004883,0.0,632.132629394531,3.0,0.0,1.0,0.0,0.0,0.0,7.15331792831421,4.34238147735596,0.213447719812393,1.65096366405487
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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%2C1-2H3,3.15693640708923,0.0,0.0,1.0,0.0,3.37808275222778,0.0,0.0,0.642857134342194,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.116667233407497,0.0,6.0,-0.0204532295465469,3.58496260643005,0.0,20.0,0.577350258827209,3.20000004768372,-0.0550944581627846,0.5,0.0,4.0,0.288675129413605,3.0,-0.00328892027027905,0.0,0.0,0.0205029882490635,0.0,0.0,1.75631833076477,1.26254642009735,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.99156379699707,0.0,0.0,0.288675129413605,2.80806040763855,0.0,0.0,0.0,0.5,0.0,1.92166829109192,0.0,0.0,2.0,0.0,0.0,1.39384686946869,1.0,0.0,0.0,0.0,0.288675129413605,0.0,70.0299987792969,100.228935241699,0.0,0.0,0.0,0.0,0.618331253528595,0.0,18.2570877075195,29.0,31.0,0.0,0.0,433.149627685547,0.0,403.634490966797,0.0,0.0,0.0,23.9097633361816,368.651885986328,0.0,73.4994583129883,222.678283691406,1.0,19.6369514465332,0.0,43.3590660095215,0.0,0.0,1.0,0.0,0.0,0.0,7.05337905883789,4.14090394973755,0.566946685314178,0.0
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%2C1H3,4.42252826690674,0.0,0.0,1.0,0.155536323785782,3.35151839256287,0.0,0.0,2.3164176940918,1.65098083019257,0.0,0.93836784362793,0.0,0.546919941902161,0.0,0.0,0.0,0.0,1.0,0.26698899269104,6.0,13.0050001144409,-0.0760945007205009,5.16992521286011,0.0,100.0,3.985595703125,4.83555555343628,0.00300748273730278,0.5,1.22054314613342,35.0,6.73738718032837,1.98347103595734,-0.0419346615672112,2.41710042953491,10.8864765167236,-0.118898771703243,0.0,0.0,1.38155233860016,1.8607474565506,0.0,2.0,2.42774963378906,0.0,0.0,60.1599998474121,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,12.861442565918,0.0,0.0,1.33241188526154,8.6090612411499,0.0,0.0,0.175925925374031,5.15518665313721,0.0,7.98535537719727,0.0,0.445511013269424,15.9953508377075,0.601001560688019,0.0,7.46243953704834,0.0,0.0,0.0,0.0,6.25888252258301,0.0,655.030029296875,19.9089260101318,0.0642361119389534,5.26281070709229,0.0,0.129106134176254,0.765786051750183,3.4858717918396,20.8303699493408,237.0,519.0,2.0,2.42994666099548,1291.48315429688,0.0,1571.24890136719,0.200000002980232,0.0,0.0,31.660737991333,2338.84375,0.0,38.321475982666,2515.92114257812,0.0,34.3729400634766,0.0,1942.91186523438,9.0,0.0,0.0,1.0,0.0,1.0,9.85794830322266,5.68495750427246,0.597574770450592,13.8563365936279
InChI%3D1S%2FC12H8Cl2%2Fc13-11-5-1-3-9%287-11%2910-4-2-6-12%2814%298-10%2Fh1-8H,3.89356637001038,0.0,0.0,0.75,0.0277777779847383,2.45276260375977,0.0,0.0,1.7166610956192,1.14081823825836,0.0,0.560696184635162,0.0,0.304798096418381,0.0,0.0,0.0,0.0,0.0,0.0506796278059483,4.0,10.5155553817749,-0.0164571460336447,4.80735492706299,0.0,70.0,1.64113855361938,4.67999982833862,-0.0081827798858285,0.428571432828903,0.0,18.0,2.49206042289734,2.75,-2.13390758290188e-05,0.0,3.3854022026062,0.00299776485189795,0.0,0.0,0.779208600521088,0.995973110198975,0.0,0.0,1.15062117576599,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,9.96625518798828,0.0,0.0,0.910683631896973,6.75402021408081,0.0,0.0,0.16666667163372,9.63434886932373,0.0,6.06371450424194,0.0,0.262891709804535,13.6529321670532,0.0833333358168602,0.0,4.62058019638062,2.0,0.0,0.0,0.0,3.81836342811584,0.0,347.019989013672,29.4255065917969,0.0555555559694767,3.00894069671631,0.0,0.0907718539237976,0.726996898651123,1.68282890319824,18.9034748077393,166.0,301.0,0.0,1.07964336872101,974.025573730469,0.0,1103.66284179688,0.0,0.0,0.0,27.8069496154785,1437.95703125,0.0,25.8069496154785,1291.89636230469,0.0,21.8069496154785,0.0,955.37353515625,10.0,0.0,0.0,0.0,0.0,0.0,8.88658905029297,5.02662801742554,0.544631123542786,2.52506470680237
InChI%3D1S%2FC6H13NO%2Fc1-4-7%285-2%296%283%298%2Fh4-5H2%2C1-3H3,1.6913081407547,0.0,0.0,1.0,0.0456435456871986,1.20876860618591,0.0,0.0,0.668933987617493,0.0,0.0,0.0,0.0,0.0,0.0,1.0,2.0,0.0,5.0,0.195098370313644,0.0,8.0,-0.119906604290009,4.0,0.75,30.0,1.13807117938995,3.9375,0.0476569049060345,0.5,2.88449907302856,8.0,1.30473780632019,2.8125,-0.0183780789375305,1.44224953651428,0.333333343267441,-0.00692140683531761,0.0,0.0,0.51015317440033,0.55579674243927,0.0,1.0,0.0912870913743973,0.0,0.0,20.3099994659424,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.56891393661499,0.0,0.0,0.5,3.71874403953552,0.0,0.0,0.0,0.5,0.0,2.8205931186676,0.0,0.0,1.0,0.16666667163372,0.0,1.99156379699707,0.0,0.0,0.0,0.0,1.23148417472839,0.0,344.019989013672,9.13445663452148,0.0,0.0,0.0,0.0,0.808110117912292,0.0,7.83064794540405,43.0,67.0,1.0,0.0,315.930816650391,0.0,309.743591308594,0.0,0.0,1.0,9.38411331176758,333.918701171875,0.0,8.66418361663818,285.646087646484,0.0,5.66418409347534,0.0,135.735977172852,0.0,0.0,0.0,0.0,0.0,3.0,5.76967525482178,2.97440004348755,0.203090488910675,0.0
InChI%3D1S%2FC3H4O2%2Fc4-2-1-3-5%2Fh1-4H,0.477604061365128,0.0,0.0,1.0,0.0,0.164633721113205,0.0,0.0,0.0351364202797413,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.203314870595932,0.0,5.0,-0.0672179237008095,3.32192802429199,0.0,14.0,0.0,4.0,0.00201055174693465,0.5,0.0,2.0,0.0,4.0,-0.0898998230695724,0.0,0.0,0.0534497611224651,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,37.2999992370605,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.12132024765015,0.0,0.0,0.0,2.41421365737915,0.0,0.0,0.0,2.38110160827637,0.0,1.35355341434479,0.0,0.0,0.0,0.0,0.0,0.70710676908493,0.0,0.0,0.0,0.0,0.353553384542465,0.0,44.0200004577637,6.54893827438354,0.0,0.0,3.0,0.0,0.700003683567047,0.0,4.66418409347534,24.0,20.0,1.0,0.0,104.984329223633,0.0,89.8929061889648,0.25,0.0,0.0,3.66418385505676,63.8594093322754,0.0,2.66418385505676,35.127815246582,0.0,1.77446901798248,1.0,12.6999979019165,1.0,0.0,0.0,0.0,0.0,0.0,2.58751273155212,1.16056776046753,0.0,0.0
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%2C6H2,3.18910694122314,0.0,0.0,0.75,0.0592965446412563,2.39860916137695,0.0,0.0,1.76104366779327,0.931074023246765,0.0,0.457889795303345,0.0,0.234466820955276,0.0,2.0,3.0,0.0,1.0,0.138038620352745,1.0,9.55102062225342,-0.0739396959543228,4.70043992996216,0.0,64.0,1.42949759960175,4.48148155212402,0.0434379726648331,0.428571432828903,0.0,16.0,2.47093868255615,2.08333325386047,-0.054858572781086,0.0,2.85722470283508,0.0428104661405087,0.0,0.0,0.674624979496002,0.988320231437683,0.0,0.0,0.893050968647003,0.0,0.0,45.560001373291,0.0,1.0,0.200000002980232,0.0,1.0,0.0,1.0,0.0,0.0,4.0,0.0,9.09601211547852,1.0,0.117851130664349,0.469416111707687,6.41501474380493,0.0,0.0,0.253436774015427,7.57547664642334,0.0,5.1611762046814,0.0,0.286596477031708,6.88320255279541,0.136082768440247,0.0,4.49757766723633,0.0,0.0912870913743973,0.0,0.0,3.75531578063965,0.0,469.040008544922,14.8544330596924,0.111313574016094,2.58075833320618,0.0,0.10412809252739,0.790347516536713,1.39961671829224,15.5781946182251,150.0,241.0,1.0,0.870627224445343,693.5087890625,0.0,796.62646484375,0.0,0.0,1.0,19.7167625427246,1050.01794433594,0.0,17.8274803161621,853.867431640625,1.0,16.0210056304932,0.0,659.459533691406,2.0,0.0,3.0,0.0,0.0,0.0,7.2579607963562,4.41433906555176,0.26916179060936,1.0
InChI%3D1S%2FC2H5N5O3%2Fc1-6%285-8%292%283%294-7%289%2910%2Fh1H3%2C%28H2%2C3%2C4%29,1.32277643680573,0.0,0.0,1.0,0.025000000372529,0.643270075321198,0.0,0.0,0.199653878808022,0.0682109594345093,0.0,0.00745355989784002,0.0,0.0,0.816496610641479,0.0,0.0,0.816496610641479,0.0,0.157858401536942,0.0,10.0,-0.0916610360145569,4.32192802429199,0.0,40.0,1.41222512722015,4.76033067703247,0.103301033377647,0.5,0.0,10.0,1.54151904582977,4.48000001907349,-0.145895257592201,0.5,1.48079812526703,0.080022431910038,0.0,0.0,0.265360414981842,0.147634759545326,0.0,1.0,0.0991049334406853,1.0,0.0,102.690002441406,0.0,0.0,0.333333343267441,0.0,2.37841415405273,0.0,1.0,0.0,0.0,0.0,1.0,8.14626407623291,0.0,0.0,0.879652798175812,4.57458591461182,0.0,0.0,0.0,0.0,0.0,3.99236512184143,0.0,0.0,0.0,0.16666667163372,1.0,2.45854473114014,0.0,0.0,0.0,0.0,1.37824678421021,0.0,106.080001831055,14.1233472824097,0.0,0.560840666294098,0.0,0.0,0.756171584129333,0.19245009124279,12.0451154708862,81.0,130.0,3.0,0.0,273.602447509766,0.0,281.453369140625,0.721124768257141,0.0,1.0,15.0133867263794,319.592895507812,0.0,13.1006908416748,262.471405029297,0.0,11.8469696044922,0.0,163.687026977539,0.0,0.333333343267441,0.0,0.0,0.0,1.0,5.0663857460022,2.14214968681335,0.193169504404068,0.0
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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%29,5.06911087036133,0.125,2.55426740646362,1.0,0.284488052129745,3.40149879455566,0.0,0.0610843934118748,2.14695405960083,1.47218537330627,0.0,0.81442254781723,0.0,0.46329864859581,0.0,2.0,0.0,0.0,2.0,0.263081818819046,5.0,13.9591836929321,-0.12129382789135,5.24792766571045,0.5,106.0,4.78787231445312,5.080078125,-0.0056201908737421,0.5,2.08794903755188,32.0,6.47844696044922,2.49215793609619,0.0194474253803492,3.40380263328552,8.81505870819092,-0.00104729842860252,2.0,0.0,1.94040560722351,2.21842908859253,0.0,1.0,2.43403148651123,0.0,0.0,77.5400009155273,0.0,2.0,0.863054394721985,1.0,0.0,0.0,1.0,0.0,0.0,5.0,0.0,13.6209554672241,2.0,0.0680413842201233,2.02133393287659,8.98120021820068,0.0,0.0,0.451723903417587,3.76916909217834,0.16666667163372,8.91777420043945,0.0,0.84148120880127,11.6942844390869,0.836019217967987,0.0,7.64322423934937,0.0,0.0279508493840694,1.34123075008392,0.185892507433891,5.76789236068726,0.0,814.049987792969,21.6289024353027,0.14139948785305,4.83702182769775,0.0,0.20923838019371,0.928723812103271,3.29300928115845,22.6889133453369,318.0,683.0,0.0,2.22371411323547,1257.82116699219,0.0,1511.96179199219,0.100000001490116,0.0,0.0,35.1005973815918,2244.71923828125,0.0,35.7095947265625,2122.68774414062,0.0,23.8272018432617,2.0,1499.576171875,7.0,0.0,0.0,0.0,0.0,2.0,10.6228189468384,5.94035816192627,1.14233660697937,4.84204006195068
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%2C1-2H3,9.19195461273193,0.224923878908157,8.00386810302734,1.0,1.0276038646698,8.25270652770996,0.0,0.272967100143433,6.91933345794678,5.22617816925049,0.0,3.84146618843079,0.0,2.76368594169617,0.0,0.0,6.0,0.0,3.0,0.522666752338409,0.0,19.3222351074219,-0.116196513175964,5.70043992996216,0.16666667163372,154.0,8.85081577301025,6.25,-0.193211480975151,0.5,4.4391918182373,59.0,15.5307750701904,2.48601984977722,0.0700110420584679,3.99719643592834,23.1628379821777,0.0207771603018045,2.31898379325867,0.0,5.72290229797363,9.73078632354736,1.10520946979523,3.0,13.3864507675171,0.0,0.0,94.8300018310547,0.0,1.0,0.0,3.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,18.9054126739502,0.0,0.0721687823534012,3.17036509513855,12.1705045700073,0.0,0.0,0.42502373456955,9.15236949920654,0.321975260972977,12.3200855255127,0.0,1.11664521694183,20.1967220306396,1.78144609928131,0.0,11.5402040481567,0.0,0.0721687823534012,8.84229755401611,0.55756676197052,9.71610736846924,0.0,2599.05004882812,29.8723449707031,0.33823236823082,7.81933259963989,3.0,0.772049725055695,0.89223051071167,5.81146240234375,30.6604595184326,496.0,1425.0,2.0,4.43084764480591,2335.2333984375,0.0,2967.90405273438,1.6427845954895,0.0,0.0,51.3209190368652,4843.1376953125,0.0,64.8661346435547,5443.4951171875,4.0,60.4200325012207,3.0,4626.8662109375,5.0,0.0,6.0,0.0,0.0,2.0,15.4422302246094,9.66062450408936,2.16621994972229,6.86643552780151
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%29,5.07208108901978,0.0,0.0,1.0,0.107262946665287,3.86295175552368,0.0,0.0,2.70886492729187,1.7320464849472,0.0,1.03120076656342,0.0,0.591856837272644,0.0,3.0,1.0,0.0,0.0,0.281095534563065,2.0,13.9591836929321,-0.155013367533684,5.24792766571045,0.0,102.0,3.28471231460571,5.78000020980835,0.0737217962741852,0.5,0.0,29.0,4.77707195281982,2.88000011444092,-0.0291728228330612,0.0,6.46119165420532,-0.0663832873106003,0.0,0.0,1.38852727413177,1.71969139575958,0.0,2.0,1.83527803421021,0.0,0.0,118.680000305176,0.0,1.0,0.5,0.0,0.400000005960464,0.0,0.0,0.0,0.0,4.0,1.0,13.4054126739502,2.0,0.117851130664349,1.3717850446701,9.14786720275879,0.0,0.0,0.274971663951874,4.70643424987793,0.0,8.49438858032227,0.0,0.544827580451965,11.3806419372559,0.414266437292099,0.0,7.10202932357788,0.0,0.102062076330185,0.0,0.0,5.88682413101196,0.0,499.070007324219,28.5311241149902,0.148484319448471,4.59363174438477,1.0,0.181132480502129,0.969590663909912,3.30791139602661,26.6095199584961,318.0,701.0,2.0,2.19343996047974,1356.65380859375,0.0,1621.06530761719,0.595275402069092,0.0,0.0,40.8041305541992,2288.08251953125,0.0,41.4958534240723,2099.146484375,0.0,32.5471611022949,1.0,1744.9150390625,7.0,0.0,1.0,0.0,2.0,0.0,10.424334526062,6.33429670333862,0.658393144607544,6.07259321212769
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InChI%3D1S%2FC2H5NO2%2Fc3-1-2%284%295%2Fh1%2C3H2%2C%28H%2C4%2C5%29,0.597862660884857,0.0,0.0,0.5,0.0,0.174620419740677,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,1.0,0.25019508600235,0.0,5.0,-0.089219331741333,3.32192802429199,0.0,16.0,0.40824830532074,2.25,-0.0849447548389435,0.333333343267441,0.0,2.0,0.0,4.0,0.049066536128521,0.0,0.0,0.0,0.0,0.0,0.0372678004205227,0.0,0.0,1.0,0.0,0.0,0.0,63.3199996948242,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.28445720672607,0.0,0.0,0.40824830532074,2.27005553245544,0.0,0.0,0.0,0.0,0.0,1.80209517478943,0.0,0.0,1.0,0.0,0.0,0.816496610641479,0.0,0.0,0.0,0.0,0.0,0.0,61.0299987792969,6.90892601013184,0.0,0.0,0.0,0.0,0.420316487550735,0.0,4.8303689956665,19.0,18.0,1.0,0.0,96.9404983520508,0.0,84.3220977783203,0.5,0.0,0.0,5.60483837127686,72.0672760009766,0.0,3.10693192481995,30.919132232666,0.0,0.0,1.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,2.63991904258728,1.18953263759613,0.0645497217774391,0.0
InChI%3D1S%2FC5H7N3O2%2Fc1-4-6-3-5%287%284%292%298%289%2910%2Fh3H%2C1-2H3,1.97973811626434,0.0,0.0,0.666666686534882,0.0884900167584419,1.38297247886658,0.0,0.0,0.65975022315979,0.252809941768646,0.0,0.0864295363426208,0.0,0.0105409258976579,0.0,3.0,0.0,0.0,1.0,0.240893259644508,2.0,8.10000038146973,-0.136895745992661,4.32192802429199,0.333333343267441,48.0,2.12537145614624,2.93877553939819,-0.0305178519338369,0.400000005960464,0.666666686534882,12.0,2.80400538444519,1.55017304420471,0.0779091194272041,2.14913988113403,2.82290863990784,-0.0146015724167228,0.0,0.0,0.681834280490875,0.65086829662323,0.0,0.0,0.472391486167908,0.0,1.0,63.6399993896484,0.0,0.0,0.0,0.0,0.816496610641479,0.0,0.0,0.0,0.0,1.0,1.0,7.72361469268799,0.0,0.0962250456213951,0.897568464279175,4.6258978843689,0.0,0.0,0.248005643486977,0.0,0.0,4.32162237167358,0.0,0.318447262048721,1.41421353816986,0.350732952356339,0.0,3.38456106185913,0.0,0.0288675129413605,0.0,0.0,2.34356737136841,0.0,234.050003051758,12.6289024353027,0.0706449747085571,1.16404354572296,0.0,0.0652283281087875,0.815311312675476,0.566452920436859,12.1040439605713,75.0,112.0,2.0,0.111111111938953,393.573913574219,0.0,440.985931396484,0.5,0.0,0.0,16.9895553588867,589.127807617188,0.0,14.62965965271,414.143920898438,0.0,9.60148525238037,0.0,175.712432861328,0.0,0.5,0.0,0.0,0.0,2.0,5.73548746109009,2.7536633014679,0.306806236505508,0.5
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,13.0620403289795,0.850397050380707,5.41988611221313,1.0,7.32742929458618,15.9948968887329,0.0,3.20014452934265,14.6378126144409,13.1021499633789,0.0,10.4271688461304,0.0,7.06581735610962,0.0,0.0,0.0,0.0,0.0,0.537679433822632,0.0,13.4399995803833,0.0640422403812408,5.39231729507446,0.0,164.0,17.9416656494141,2.22222232818604,-0.113140396773815,0.5,0.0,70.0,37.7298583984375,0.473372787237167,-0.516125321388245,0.0,74.986930847168,0.0987905934453011,0.0,0.0,21.6349868774414,46.4662895202637,20.1674957275391,0.0,95.3409118652344,0.0,0.0,0.0,0.0,0.0,0.0,9.0,0.0,0.0,0.0,8.0,0.134668782353401,0.0,0.0,16.0773506164551,0.0,0.875347077846527,4.779700756073,9.1160249710083,0.0,0.0,3.41489005088806,0.0,0.716506361961365,11.7900638580322,0.134668782353401,10.5035638809204,0.0,5.76606512069702,0.0,13.9834394454956,11.0,0.937809228897095,0.0,2.41790843009949,12.7873115539551,0.0,256.109985351562,105.840286254883,3.85983943939209,11.3360023498535,0.0,12.4850835800171,0.657906651496887,8.92353630065918,46.4691123962402,218.0,612.0,0.0,6.01158380508423,3737.89013671875,0.0,5521.00732421875,0.0,0.0,0.0,125.025894165039,10761.94140625,0.0,277.422973632812,11185.0244140625,1.0,257.476348876953,0.0,5540.1494140625,0.0,0.0,2.0,0.0,0.0,0.0,17.550178527832,9.85243892669678,5.49936676025391,0.0
InChI%3D1S%2FC2H6N2O%2Fc1-4%282%293-5%2Fh1-2H3,0.928863227367401,0.0,0.0,0.5,0.0,0.163299322128296,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0653609186410904,0.0,5.0,-0.041026946157217,3.32192802429199,0.5,16.0,0.40824830532074,2.25,0.0393256060779095,0.333333343267441,0.0,2.0,0.0,4.0,-0.0309791192412376,0.0,0.0,0.0,0.0,0.0,0.0816496610641479,0.0,0.0,0.0,0.0,0.0,0.0,32.6699981689453,,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,4.28445720672607,0.0,0.0,0.40824830532074,2.27005553245544,0.0,0.0,0.0,0.0,0.0,1.80209517478943,0.0,0.0,0.0,0.0,0.0,0.816496610641479,0.0,0.0,0.0,0.0,0.0,0.0,80.0299987792969,6.49444532394409,0.0,0.0,0.0,0.0,0.953588962554932,0.0,5.24582433700562,19.0,18.0,1.0,0.0,103.42862701416,0.0,89.8000946044922,0.0,0.0,1.0,4.88583660125732,79.2500381469727,0.0,2.66418385505676,27.2843933105469,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,3.30267548561096,1.27700138092041,0.200000002980232,0.0
InChI%3D1S%2FC6H18N3OP%2Fc1-7%282%2911%2810%2C8%283%294%299%285%296%2Fh1-6H3,3.91284251213074,0.0245071537792683,0.0,1.0,0.508888065814972,2.34598922729492,0.0,0.0735214650630951,1.61077451705933,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.330312192440033,0.0,11.0,-0.364858984947205,4.45943164825439,4.30761861801147,50.0,4.44337558746338,3.59999990463257,0.480397492647171,0.5,0.0,18.0,5.73205089569092,1.9753086566925,-0.39861935377121,0.0,3.65470051765442,0.117924742400646,0.0,0.0,2.19077062606812,3.13577365875244,0.0,0.0,1.7806499004364,0.0,0.0,36.5999984741211,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.23205089569092,0.0,0.0,1.46225047111511,4.83012723922729,0.0,0.0,0.0,0.0,0.0962250456213951,4.83012723922729,0.0,0.0,0.0,1.28867518901825,0.0,3.73205089569092,0.0,0.0,0.0,0.288675129413605,2.0,0.0,674.049987792969,18.504846572876,0.0,0.0,0.0,0.0,0.894545018672943,0.0,19.4545764923096,62.0,142.0,1.0,0.0,448.139801025391,0.0,479.096496582031,0.0,0.0,3.0,27.213399887085,650.635986328125,0.0,21.9867744445801,650.445617675781,0.0,12.0,0.0,379.755004882812,0.0,1.5,0.0,0.0,0.0,6.0,8.42104530334473,3.85773015022278,1.12487936019897,0.0
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%29,2.96202850341797,0.0,0.0,0.75,0.0382757559418678,1.61036562919617,0.0,0.0,1.02552545070648,0.456179112195969,0.0,0.225328728556633,0.0,0.0981440246105194,1.01626551151276,1.0,1.0,0.16666667163372,1.0,0.41605669260025,0.0,11.0769233703613,-0.17573007941246,4.70043992996216,0.5,60.0,1.72744655609131,5.02422142028809,-0.0160318668931723,0.428571432828903,0.333333343267441,14.0,2.33629703521729,3.32409977912903,-0.118189662694931,1.21644043922424,2.44317555427551,0.0720535889267921,0.0,0.0,0.543313920497894,0.594139099121094,0.0,1.0,0.425063639879227,0.0,0.0,17.0699996948242,0.0,0.0,2.62074136734009,0.0,1.59054148197174,0.0,2.0,0.0,0.0,0.0,0.0,9.84493541717529,0.0,0.117851130664349,1.04433107376099,6.10906076431274,0.0,0.0,0.151374712586403,0.0,0.0,5.57005214691162,0.0,0.243120849132538,1.31037068367004,0.20412415266037,2.0,3.68898367881775,0.0,0.0589255653321743,0.0,0.0,2.84900808334351,0.0,573.070007324219,15.9343976974487,0.0558150969445705,1.74382984638214,0.0,0.0539997443556786,0.575896978378296,1.07013893127441,15.3815498352051,143.0,262.0,1.0,0.634585499763489,606.211242675781,0.0,666.310424804688,0.0,0.0,1.0,20.2950038909912,847.530395507812,0.0,17.2950038909912,654.327941894531,2.0,16.5437164306641,0.0,554.610595703125,0.0,0.0,1.0,1.0,0.0,2.0,7.68904685974121,3.95189094543457,0.425910323858261,2.38110160827637
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%2C1-2H3,14.3354663848877,0.224923878908157,7.92202663421631,1.0,1.06487166881561,11.668119430542,0.0,0.272967100143433,9.41854858398438,6.94144344329834,0.0,4.91856336593628,0.0,3.38395380973816,0.0,1.0,13.0,0.0,7.0,0.882859885692596,2.0,35.3107643127441,-0.334104150533676,6.45943164825439,0.16666667163372,240.0,10.575098991394,14.6319446563721,-0.211837515234947,0.5,5.09344291687012,85.0,17.9087390899658,6.95155715942383,0.226067692041397,4.04143524169922,26.2441005706787,-0.0621835589408875,2.31898379325867,0.0,6.50152826309204,10.8333721160889,1.10520946979523,4.0,14.6406936645508,0.0,0.0,104.139999389648,0.0,2.0,0.0,3.0,0.0,0.0,0.0,4.0,0.0,4.0,0.0,31.7000961303711,0.0,0.0721687823534012,3.996497631073,20.9625301361084,0.0,0.0,0.508357048034668,0.0,0.321975260972977,19.643497467041,0.0,1.22368335723877,31.6506214141846,1.86477935314178,0.0,17.206615447998,2.0,0.0721687823534012,9.53602313995361,0.55756676197052,14.3236303329468,1.0,6757.08984375,64.4323120117188,0.366010159254074,11.5602998733521,3.0,0.80411422252655,0.951954960823059,8.4569091796875,54.7266731262207,1757.0,8301.0,3.0,6.21558332443237,3620.32958984375,0.0,4396.54541015625,1.43938672542572,0.0,1.0,81.3277893066406,6668.5380859375,1.09162104129791,97.0793228149414,7427.69482421875,4.0,96.7215347290039,2.0,6595.490234375,10.0,0.0,9.0,0.0,0.0,2.0,27.2856616973877,17.0294246673584,2.52933573722839,8.10690975189209
InChI%3D1S%2FC8Cl4N2%2Fc9-5-3%281-13%296%2810%298%2812%297%2811%294%285%292-14,3.74139356613159,0.0,0.0,0.5,0.302450954914093,3.1923041343689,0.0,0.0,1.89992594718933,0.889413416385651,0.16666667163372,0.434356480836868,0.0,0.11242251843214,0.0,0.0,0.0,0.0,0.0,0.327585756778717,6.0,12.0714282989502,-0.0217668302357197,4.80735492706299,0.0,68.0,3.33378648757935,4.67999982833862,-0.0224696286022663,0.333333343267441,0.0,25.0,5.4429349899292,2.02040815353394,-0.168950691819191,0.0,7.34114503860474,0.0194336883723736,0.0,2.0,1.95765221118927,2.62753510475159,0.0,0.0,3.17249298095703,0.0,0.0,47.5800018310547,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.8783149719238,0.0,0.0,1.04196584224701,6.54011106491089,0.0,0.0,0.0370370373129845,0.25,0.0,5.58067274093628,0.0,0.200526431202888,5.24148273468018,0.536491930484772,0.0,5.30288314819336,4.0,0.0,0.0,0.0,4.02093982696533,0.0,14.0600004196167,45.5709915161133,0.015625,2.23224329948425,0.0,0.0864933356642723,0.576617062091827,1.30823826789856,22.1393203735352,132.0,272.0,0.0,0.438459068536758,1059.82678222656,0.0,1238.884765625,0.0,0.0,0.0,35.9462699890137,1739.90417480469,0.0,64.5110931396484,1806.13317871094,0.0,65.2825164794922,0.0,1119.21826171875,4.0,0.0,0.0,0.0,0.0,0.0,9.4300012588501,4.71500062942505,0.691946685314178,9.12546539306641
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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%2C4-5H2,3.84061884880066,0.0,0.0,1.0,0.0984654203057289,3.05057907104492,0.0,0.0,2.39064002037048,1.63413548469543,0.0,0.999377191066742,0.0,0.612310349941254,0.0,0.0,3.0,0.0,0.0,0.0636431500315666,4.0,10.1730108261108,-0.00506223505362868,4.90689039230347,0.0,84.0,2.71277952194214,3.78559994697571,-0.0196422412991524,0.5,0.0,25.0,4.74967050552368,1.55555558204651,-0.00350326765328646,0.0,6.65723514556885,-0.00234738457947969,0.0,0.0,1.08164691925049,1.71307837963104,0.0,0.0,2.01303863525391,0.0,0.0,34.1399993896484,0.0,3.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,2.0,1.0,10.4138488769531,0.0,0.0962250456213951,1.04994332790375,7.2708568572998,0.0,0.0,0.315235257148743,7.91333341598511,0.0,6.75483989715576,0.0,0.563661098480225,15.7143325805664,0.348110347986221,0.0,5.88070917129517,0.0,0.0625,0.0,0.0,5.32672452926636,0.0,574.030029296875,16.9089260101318,0.148308381438255,4.28990125656128,2.0,0.219811335206032,0.703708827495575,3.15757918357849,18.2731170654297,164.0,317.0,2.0,2.24770522117615,967.853759765625,0.0,1185.08459472656,0.5,0.0,0.0,26.7710227966309,1754.79528808594,0.0,26.8269233703613,1629.07995605469,1.0,23.4911079406738,0.0,1168.42150878906,5.0,0.0,3.0,0.0,0.0,0.0,8.06467533111572,4.95056247711182,0.440610438585281,6.08364343643188
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InChI%3D1S%2FC4H8O%2Fc1-2-4-3-5-4%2Fh4H%2C2-3H2%2C1H3,1.36359012126923,0.0,0.0,0.5,0.0,0.6910440325737,0.0,0.0,0.235702261328697,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.174689188599586,0.0,3.20000004768372,-0.0814744234085083,3.32192802429199,0.0,22.0,0.20412415266037,1.0,-0.00539234094321728,0.333333343267441,1.15470051765442,2.0,0.0,0.639999985694885,-0.000477831112220883,0.5,0.0,0.0,0.0,0.0,0.117851130664349,0.0,0.0,0.0,0.0,0.0,0.0,12.5299997329712,0.0,0.0,0.0,0.0,0.0,0.288675129413605,0.0,0.0,0.20412415266037,0.0,0.0,3.69867062568665,0.0,0.0,0.20412415266037,2.4318516254425,0.0,0.16666667163372,0.0,0.5,0.0,1.85162401199341,0.117851130664349,0.0,2.0,0.0,0.0,0.985598564147949,0.0,0.0,0.0,0.0,0.40824830532074,1.0,149.009994506836,5.77446889877319,0.0,0.0,0.0,0.0,0.524669170379639,0.0,5.66418409347534,25.0,17.0,0.0,0.0,135.374816894531,0.0,138.872116088867,0.0,0.0,0.0,3.33209204673767,82.7509536743164,0.0,2.33209204673767,45.460277557373,1.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,1.0,3.3998122215271,2.04798078536987,0.117851130664349,0.0
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%29,7.37874698638916,0.0,0.0,1.0,0.148626267910004,5.28177499771118,0.0,0.0,3.83609008789062,1.99297702312469,0.0,1.20165264606476,0.333333343267441,0.592748403549194,0.0,1.0,6.0,0.0,2.0,0.715682983398438,3.0,19.7530860900879,-0.315330684185028,5.64385604858398,0.0,128.0,3.80492401123047,9.27392292022705,-0.169169694185257,0.5,1.52930331230164,37.0,5.63974189758301,5.04166650772095,0.275999039411545,1.52181828022003,7.31143283843994,-0.284305781126022,0.0,0.0,1.75221383571625,2.43548846244812,0.0,2.0,2.45727324485779,0.0,0.0,59.9199981689453,0.0,0.0,0.25,0.0,0.0,0.0,1.0,1.0,0.0,3.0,0.0,17.8111896514893,0.0,0.144337564706802,1.54731369018555,12.0797185897827,0.0,0.0,0.23814482986927,7.87924528121948,0.0,10.6500368118286,0.0,0.378629595041275,17.9404563903809,0.393634557723999,1.0,9.04504299163818,2.0,0.144337564706802,0.0,0.0,7.21736097335815,2.0,1801.06994628906,43.4688911437988,0.124648496508598,5.20992040634155,0.0,0.174257785081863,0.726187944412231,3.62571668624878,33.2286758422852,506.0,1567.0,1.0,2.42630624771118,1696.92907714844,0.0,1962.47912597656,0.0,0.0,0.0,48.5159873962402,2656.654296875,0.365148365497589,55.266788482666,2578.22412109375,3.0,53.2008895874023,0.0,2272.59008789062,1.0,0.0,12.0,0.0,0.0,1.0,15.6464872360229,9.41832828521729,0.902124762535095,8.46354866027832
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InChI%3D1S%2FC3H3N%2Fc1-2-3-4%2Fh2H%2C1H2,0.333223581314087,0.0,0.0,0.5,0.0,0.0912870913743973,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.097551591694355,0.0,4.0,-0.0246754568070173,3.0,0.0,10.0,0.0,3.0,-0.0208298843353987,0.333333343267441,1.41421353816986,1.0,0.0,4.0,-0.00327045749872923,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.7900009155273,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.41421365737915,0.0,0.0,0.0,1.91421353816986,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,24.0100002288818,4.35998821258545,0.0,0.0,1.0,0.0,0.749790012836456,0.0,3.16618514060974,14.0,10.0,0.0,0.0,80.1797943115234,0.0,62.993824005127,0.0,0.0,0.0,2.16618514060974,38.3469696044922,0.0,1.16618525981903,15.285120010376,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,2.23167061805725,0.920530200004578,0.0,0.0
InChI%3D1S%2FC4H5Cl%2Fc1-3-4%282%295%2Fh3H%2C1-2H2,1.13646697998047,0.0,0.0,0.5,0.0,0.375792592763901,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.025400809943676,0.0,5.0,-0.0081307040527463,3.32192802429199,0.333333343267441,16.0,0.40824830532074,2.25,-0.00440725963562727,0.333333343267441,1.41421353816986,2.0,0.0,4.0,-0.000162440846906975,1.41421353816986,0.0,0.0,0.0,0.0,0.163663417100906,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.28445720672607,0.0,0.0,0.40824830532074,2.27005553245544,0.0,0.0,0.0,0.0,0.0,1.80209517478943,0.0,0.0,1.0,0.0,0.0,0.816496610641479,1.0,0.0,0.0,0.0,0.0,0.0,61.0099983215332,12.7127532958984,0.0,0.0,1.0,0.0,0.492404818534851,0.0,5.95173740386963,19.0,18.0,0.0,0.0,209.404479980469,0.0,185.763259887695,0.0,0.0,0.0,7.90347480773926,159.014999389648,0.0,3.95173740386963,63.688159942627,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,3.62545728683472,1.61742353439331,0.231455028057098,0.0
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InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh3H%2C1-2H3,1.40467715263367,0.0,0.0,0.5,0.0,0.654653668403625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,2.0,0.0280767232179642,0.0,5.0,-0.0164020527154207,3.32192802429199,0.5,16.0,0.40824830532074,2.25,0.00947097409516573,0.333333343267441,1.0,2.0,0.0,4.0,-0.00710728205740452,2.0,0.0,0.0,0.0,0.0,0.327326834201813,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.28445720672607,0.0,0.0,0.40824830532074,2.27005553245544,0.0,0.0,0.0,0.0,0.0,1.80209517478943,0.0,0.0,1.0,0.0,0.0,0.816496610641479,1.0,0.0,0.0,0.0,0.0,0.0,101.01000213623,12.7127532958984,0.0,0.0,1.0,0.0,0.755878388881683,0.0,5.95173740386963,19.0,18.0,0.0,0.0,202.214141845703,0.0,177.264175415039,0.0,0.0,0.0,5.95173740386963,156.362060546875,0.0,5.90347480773926,62.833869934082,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,4.21124362945557,1.94332885742188,0.288675129413605,0.0
InChI%3D1S%2FC8H18N2O%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh3-8H2%2C1-2H3,2.74241948127747,0.0,0.0,1.0,0.0,1.65503239631653,,0.0,0.874708950519562,0.580877065658569,0.0,0.271750599145889,0.0,0.111803397536278,0.0,0.0,6.0,0.0,4.0,0.0583857148885727,0.0,11.0,-0.0322742648422718,4.45943164825439,0.125,40.0,0.492799282073975,8.10000038146973,0.0289574041962624,0.5,3.65134453773499,10.0,0.594861328601837,6.40000009536743,-0.0211941730231047,0.0,0.55258584022522,-0.00434306636452675,0.0,0.0,0.182246178388596,0.207735031843185,0.0,0.0,0.211535513401031,0.0,0.0,32.6699981689453,,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,8.52709770202637,0.0,0.0,0.20412415266037,5.34606504440308,0.0,0.0,0.0,6.12046384811401,0.0,3.55873084068298,0.0,0.0,0.0,0.0,0.0,2.509202003479,,0.0,0.0,0.0,1.53818440437317,0.0,674.030029296875,12.4944448471069,0.0,1.07014954090118,0.0,0.0,0.83514016866684,0.564968049526215,11.2458248138428,116.0,188.0,1.0,0.144337564706802,451.663146972656,0.0,442.697601318359,0.0,0.0,1.0,11.218207359314,445.069641113281,0.0,11.3289251327515,412.456115722656,0.0,10.3289251327515,0.0,345.194702148438,0.0,0.0,4.0,0.0,0.0,2.0,7.54531621932983,4.42924308776855,0.100000001490116,0.0
InChI%3D1S%2FC4H10O3%2Fc5-1-3-7-4-2-6%2Fh5-6H%2C1-4H2,1.05958604812622,0.0,0.0,1.0,0.0,0.471249312162399,0.0,0.0,0.231161519885063,0.0912870913743973,0.0,0.020412415266037,0.0,0.0,0.0,0.0,4.0,0.0,4.0,0.371823161840439,0.0,7.0,-0.141223073005676,3.80735492706299,0.0,22.0,0.0,6.0,-0.195368334650993,0.5,0.0,4.0,0.0,6.0,0.228310003876686,0.0,0.0,-0.0316665060818195,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,49.689998626709,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.5355339050293,0.0,0.0,0.0,3.41421365737915,0.0,0.0,0.0,2.94168281555176,0.0,2.06066012382507,0.0,0.0,0.0,0.0,0.0,1.20710682868958,0.0,0.0,0.0,0.0,0.676776707172394,1.0,214.029998779297,9.32340717315674,0.0,0.353553384542465,0.0,0.0,0.633843302726746,0.176776692271233,7.32836771011353,54.0,56.0,0.0,0.0,170.66926574707,0.0,154.852432250977,0.16666667163372,0.0,0.0,6.32836771011353,127.578620910645,0.666666686534882,5.54893827438354,96.8373794555664,0.0,3.66418385505676,2.0,66.9539566040039,0.0,0.0,0.0,0.0,0.0,0.0,4.13110256195068,2.209805727005,0.0,0.0
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,2.17541480064392,0.0,0.0,0.75,0.0,1.14061212539673,,0.0,0.71400249004364,0.431203037500381,0.0,0.141808107495308,0.0,0.0676819086074829,0.0,1.0,0.0,0.0,1.0,0.186470657587051,2.0,9.09090900421143,-0.090660572052002,4.45943164825439,0.0,50.0,1.05047678947449,4.13265323638916,0.0124858040362597,0.428571432828903,0.894427180290222,11.0,1.38447082042694,3.26530623435974,-0.00854060240089893,1.14471423625946,1.6854807138443,-0.0379810817539692,0.0,,0.259400397539139,0.290459334850311,0.0,1.0,0.271665543317795,,,52.8199996948242,,0.0,0.0,,,0.0,,0.0,0.0,4.0,,8.26758480072021,,0.0,0.901047587394714,5.18154048919678,,0.0,0.0833333358168602,3.30192732810974,0.0,4.75544691085815,0.0,0.142258897423744,6.29469060897827,0.0,,2.94016623497009,,0.0,0.0,0.0,2.23148417472839,,290.029998779297,12.9089260101318,0.0277777779847383,1.74555850028992,0.0,0.0248451996594667,0.960224330425262,0.788991153240204,11.9965543746948,115.0,166.0,,0.532657027244568,492.451721191406,,529.390014648438,0.142857149243355,,,16.0482978820801,645.596069335938,0.0,12.3286466598511,511.763366699219,0.0,9.16246128082275,,331.091003417969,6.0,,0.0,,,1.0,6.15104198455811,3.21579432487488,0.249071195721626,0.965489387512207
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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%29,2.58593082427979,0.0,0.0,0.800000011920929,0.0,1.43862783908844,0.0,0.0,0.970399975776672,0.568886876106262,0.0,0.235598087310791,0.0,0.141670480370522,0.0,1.0,1.0,0.0,3.0,0.27417328953743,2.0,11.0769233703613,-0.143512085080147,4.70043992996216,0.111111111938953,58.0,1.07524120807648,5.671875,0.00628252327442169,0.444444447755814,2.45063710212708,14.0,1.62162148952484,4.15224933624268,-0.00526176439598203,1.61887037754059,1.81219387054443,-0.0343243405222893,0.0,0.0,0.300014048814774,0.388213247060776,0.0,1.0,0.347315818071365,0.0,0.0,41.8199996948242,,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,4.0,0.0,9.68179798126221,0.0,0.0,0.816496610641479,6.21954536437988,0.0,0.0,0.0833333358168602,4.25141477584839,0.0,5.30497550964355,0.0,0.117851130664349,6.74402570724487,0.0,0.0,3.46798777580261,0.0,0.0,0.0,0.0,2.83077645301819,1.0,520.030029296875,14.9089260101318,0.0277777779847383,2.06282901763916,0.0,0.0237628296017647,0.820667147636414,1.10268676280975,14.3286466598511,171.0,280.0,0.0,0.840018510818481,611.956970214844,0.0,656.833068847656,0.0,0.0,0.0,18.3803901672363,801.6083984375,0.142857149243355,15.3286466598511,702.356567382812,0.0,13.1624612808228,1.0,530.594482421875,6.0,0.0,0.0,0.0,0.0,2.0,7.81918334960938,4.19209384918213,0.242576986551285,0.965489387512207
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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%29,6.54668951034546,0.364507406949997,2.77290391921997,1.0,0.248154699802399,3.6277871131897,0.0,0.0186339002102613,1.9515814781189,1.29303812980652,0.0,0.654129087924957,0.0,0.438279777765274,0.0,1.0,1.0,0.0,2.0,0.428459763526917,2.0,14.4099721908569,-0.172083809971809,5.16992521286011,0.5,98.0,4.65575790405273,4.83555555343628,-0.156778424978256,0.5,1.99053585529327,24.0,4.4578537940979,3.32179927825928,0.15294186770916,2.00788974761963,5.38220500946045,0.00575218442827463,1.41421353816986,0.0,2.33361291885376,2.13516902923584,0.142857149243355,1.0,2.20566248893738,0.0,0.0,46.5299987792969,0.0,1.0,0.0,2.0,0.0,0.20412415266037,0.0,2.0,0.526099443435669,4.0,0.0,13.5520420074463,0.0,0.235702261328697,2.87827062606812,8.22198104858398,0.0,0.20412415266037,0.534517824649811,4.25141477584839,0.40824830532074,8.92741012573242,0.564972102642059,0.611966192722321,8.66465663909912,0.873700141906738,0.0,6.22370290756226,2.0,0.231455028057098,3.04661583900452,0.20412415266037,3.81488442420959,1.0,783.049987792969,35.7489128112793,0.363080412149429,3.0507926940918,0.0,0.332137167453766,0.849763989448547,1.79766476154327,24.2318420410156,292.0,660.0,1.0,1.38413953781128,1129.82739257812,0.0,1334.72595214844,0.5,0.0,0.0,45.6188163757324,1690.16064453125,0.666666686534882,31.4449653625488,1475.34790039062,1.0,28.8032245635986,1.0,1248.18127441406,5.0,0.0,2.0,0.0,0.0,2.0,11.6253547668457,6.3803915977478,2.25885272026062,1.77103018760681
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InChI%3D1S%2FC2H6N2O2%2Fc1-3%282%294%285%296%2Fh1-2H3,1.08504855632782,0.0,0.0,0.5,0.0333333350718021,0.326598644256592,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0815666615962982,0.0,6.0,-0.0678412094712257,3.58496260643005,0.5,22.0,1.33333337306976,2.22222232818604,0.0813138857483864,0.333333343267441,0.0,4.0,0.0,3.0,-0.0542560070753098,0.0,0.0,0.0,0.0,0.0,0.22996598482132,0.0,0.0,0.0,0.0,0.0,0.0,37.3800010681152,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,5.154700756073,0.0,0.0,0.666666686534882,2.64273452758789,0.0,0.0,0.0,0.0,0.0,2.48803377151489,0.0,0.0,0.0,0.333333343267441,0.0,1.33333337306976,0.0,0.0,0.0,0.0,0.0,0.0,91.0400009155273,8.26891422271729,0.0,0.0,0.0,0.0,0.904803037643433,0.0,6.79929065704346,24.0,29.0,2.0,0.0,123.311973571777,0.0,113.897346496582,0.5,0.0,1.0,8.21377182006836,115.523597717285,0.0,5.32836771011353,60.3793907165527,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,2.0,3.71092367172241,1.45957553386688,0.233333334326744,0.0
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InChI%3D1S%2FC22H28O3%2Fc1-4-22%2825-14%282%2923%2912-10-20-19-7-5-15-13-16%2824%296-8-17%2815%2918%2819%299-11-21%2820%2C22%293%2Fh1%2C13%2C17-20H%2C5-12H2%2C2-3H3,8.86342430114746,0.138146460056305,4.10267496109009,1.0,0.741975128650665,7.97078561782837,0.0,0.189127415418625,6.85861444473267,5.46986627578735,0.0,3.94029355049133,0.0,3.02327656745911,0.0,1.0,8.0,0.0,2.0,0.396180242300034,0.0,18.3673477172852,-0.198549151420593,5.64385604858398,0.646330416202545,144.0,6.49194860458374,6.55785131454468,0.0211812630295753,0.5,6.04276371002197,51.0,11.8096294403076,2.74934911727905,-0.00518210418522358,4.04875373840332,16.9324474334717,-0.00952187739312649,2.62074136734009,0.0,4.65889692306519,8.05725002288818,1.0,3.0,11.0749111175537,0.0,0.0,43.3699989318848,0.0,1.0,0.0,2.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,17.8196258544922,0.0,0.0721687823534012,2.56876659393311,11.8996143341064,0.0,0.0,0.438638031482697,12.3649597167969,0.190450415015221,11.5803823471069,0.0,1.03485023975372,22.7578048706055,1.04595506191254,0.0,10.2274761199951,0.0,0.0721687823534012,6.78693008422852,0.344375193119049,9.15804767608643,1.0,2536.03002929688,27.3234062194824,0.368305385112762,7.57977485656738,1.0,0.773914039134979,0.875337541103363,5.46999931335449,29.3283672332764,489.0,1358.0,2.0,4.35731554031372,2135.21484375,0.0,2669.4462890625,0.0833333358168602,0.0,0.0,47.0991134643555,4226.59521484375,0.447213590145111,53.6567344665527,4607.99462890625,4.0,49.3246421813965,0.0,3850.37182617188,2.0,0.0,8.0,0.0,0.0,2.0,15.3457002639771,9.80707931518555,1.70344305038452,6.9050555229187
InChI%3D1S%2FC12H10ClNO%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C14H2,3.56145358085632,0.0,0.0,1.0,0.0,2.18141603469849,0.0,0.0,1.30057799816132,0.918176889419556,0.0,0.361859768629074,0.0,0.180626302957535,0.0,0.0,0.0,0.0,0.0,0.158145248889923,4.0,11.484375,-0.0615888610482216,4.90689039230347,0.0,74.0,1.62954914569855,5.36507940292358,-0.013026176020503,0.5,0.0,18.0,1.96420383453369,3.5,-0.0063239554874599,0.0,2.76322031021118,-0.0619644075632095,0.0,0.0,0.554505228996277,0.540796756744385,0.0,0.0,0.602014720439911,0.0,0.0,35.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,10.6733617782593,0.0,0.0,0.985598564147949,7.23718357086182,0.0,0.0,0.16666667163372,8.69190216064453,0.0,6.48749780654907,0.0,0.284517794847488,12.3619976043701,0.0,0.0,4.93752384185791,1.0,0.0,0.0,0.0,3.60103964805603,1.0,466.029998779297,23.8472099304199,0.0555555559694767,3.21497464179993,0.0,0.0702150091528893,0.820358872413635,1.65425360202789,18.7821063995361,240.0,404.0,0.0,1.06531405448914,867.363525390625,0.0,963.750732421875,0.0,0.0,0.0,26.5642127990723,1225.615234375,0.0,23.5642127990723,1046.67150878906,0.0,14.7821063995361,0.0,718.500915527344,12.0,0.0,0.0,1.0,0.0,0.0,8.73829460144043,4.9066047668457,0.421290040016174,1.53261888027191
InChI%3D1S%2FC2HCl2F3%2Fc3-1%284%292%285%2C6%297%2Fh1H,1.93857371807098,0.0155869917944074,1.0,0.5,0.159065887331963,0.742307484149933,0.0,0.0200404189527035,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.40569195151329,0.0,7.0,-0.160426452755928,3.80735492706299,0.0,30.0,2.5980761051178,1.85185182094574,-0.168829381465912,0.333333343267441,0.0,6.0,0.577350258827209,2.66666674613953,0.126409858465195,0.0,0.0,0.0,0.0,0.0,0.70141464471817,0.0353479757905006,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.07735013961792,0.0,0.0,1.65470051765442,2.94337558746338,0.0,0.0,0.0,0.0,0.288675129413605,3.52072596549988,0.0,0.0,0.0,0.866025388240814,0.0,1.73205077648163,2.0,0.0,0.0,0.288675129413605,0.0,0.0,7.05000019073486,26.9316387176514,0.0,0.0,0.0,0.0,0.613772213459015,0.0,11.6488304138184,29.0,42.0,0.0,0.0,186.186630249023,3.0,184.513885498047,0.0,0.0,0.0,26.8677158355713,207.008987426758,0.0,28.0140857696533,114.595428466797,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.47903060913086,2.16492915153503,0.521869122982025,0.0
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%29,4.65773344039917,0.0134987309575081,1.4816472530365,1.0,0.101629339158535,3.30901336669922,0.0,0.00275541702285409,2.42484259605408,1.70747196674347,0.0,1.0067013502121,0.0,0.651005148887634,0.0,1.0,1.0,0.0,1.0,0.499009341001511,5.0,14.9173555374146,-0.211519926786423,5.32192802429199,0.0,110.0,4.35027503967285,5.65289258956909,-0.214725509285927,0.5,0.0,31.0,5.26935577392578,3.12244892120361,0.215412691235542,0.0,7.16660213470459,-0.0362984612584114,0.0,0.0,1.16830015182495,1.61710619926453,0.0,1.0,1.88057208061218,0.0,0.0,29.1000003814697,0.0,4.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,14.3280630111694,0.0,0.0785674229264259,2.37977266311646,9.44850826263428,0.0,0.0,0.37359693646431,9.72837352752686,0.288675129413605,9.54988098144531,0.0,0.628175258636475,17.9952964782715,0.80401074886322,1.0,7.43842792510986,0.0,0.0441941730678082,1.26940941810608,0.20412415266037,5.76847648620605,0.0,644.049987792969,25.640588760376,0.153896108269691,4.91395950317383,0.0,0.219937637448311,0.960380911827087,3.40921974182129,24.409818649292,342.0,828.0,1.0,2.65972423553467,1184.48718261719,3.0,1427.49633789062,0.0,0.0,0.0,40.6356010437012,2080.86767578125,0.0,37.5196762084961,1924.634765625,0.0,26.7419090270996,0.0,1465.00964355469,8.0,0.0,1.0,0.0,0.0,0.0,10.2906999588013,6.0435619354248,0.616966426372528,5.9316611289978
InChI%3D1S%2FCH3NO2%2Fc1-2%283%294%2Fh1H3,0.439683973789215,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.087612047791481,0.0,4.0,-0.00135040213353932,3.0,0.0,12.0,0.0,1.33333337306976,-0.0424556247889996,0.5,0.0,0.0,0.0,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,34.1399993896484,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,3.5773503780365,0.0,0.0,0.577350258827209,1.73205077648163,0.0,0.0,0.0,0.0,0.0,1.73205077648163,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.0300006866455,5.90892601013184,0.0,0.0,0.0,0.0,0.495054841041565,0.0,4.27311706542969,9.0,9.0,2.0,0.0,39.6477241516113,0.0,31.6298027038574,0.5,0.0,0.0,4.43865299224854,25.3519535064697,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,2.26371026039124,0.8123619556427,0.0745356008410454,0.0
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%2C1-3H3,6.43791484832764,0.0,0.0,1.0,0.176180154085159,5.09723567962646,0.0,0.0,3.85636234283447,2.63664174079895,0.0,1.73660910129547,2.99549388885498,1.16478872299194,0.0,1.0,0.0,0.0,1.0,1.06453263759613,10.0,19.93359375,-0.493002206087112,5.80735492706299,0.391486763954163,162.0,5.77586221694946,7.60183238983154,0.0223001558333635,0.5,1.82378327846527,57.0,11.3392820358276,2.92590022087097,-0.32501631975174,7.74337148666382,17.2503566741943,0.461525768041611,0.0,0.0,1.93993198871613,2.96090459823608,0.0,1.0,3.64025974273682,0.0,0.0,92.6800003051758,0.0,3.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,2.0,0.0,19.5766220092773,0.0,0.196418553590775,1.97248339653015,13.5832490921021,0.0,0.0,0.499485075473785,1.32454168796539,0.0,12.3626461029053,0.0,1.02427113056183,14.1603002548218,0.691060602664948,0.0,11.7608594894409,0.0,0.0793816149234772,0.0,0.0,11.1883230209351,6.0,1548.07995605469,34.1957511901855,0.160224080085754,9.12932586669922,2.0,0.251238137483597,0.80321592092514,7.41669988632202,36.6492881774902,504.0,1722.0,1.0,5.96488189697266,1965.36279296875,0.0,2475.98120117188,0.25,0.0,0.0,56.0842170715332,3886.94018554688,2.1991720199585,67.1833267211914,4304.654296875,2.0,73.2762451171875,1.0,4083.47192382812,11.0,0.0,0.0,0.0,0.0,3.0,15.2690534591675,8.52770328521729,0.794399976730347,27.5482120513916
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InChI%3D1S%2FC9H12%2Fc1-7-4-5-8%282%299%283%296-7%2Fh4-6H%2C1-3H3,2.58771324157715,0.0,0.0,0.666666686534882,0.0833333358168602,1.66241073608398,,0.0,0.891346037387848,0.562731385231018,0.0,0.186004236340523,0.0,0.0240562614053488,0.0,0.0,0.0,0.0,3.0,0.00474509876221418,3.0,7.11111116409302,-0.000931941729504615,4.16992521286011,0.766309440135956,42.0,1.47827804088593,2.72222232818604,-0.00120459171012044,0.400000005960464,3.47938084602356,10.0,1.55802857875824,1.70414197444916,-0.00050750479567796,4.44149208068848,2.07593297958374,-0.000665234925691038,0.0,,0.790402293205261,0.711787641048431,0.0,0.0,0.838514804840088,0.0,0.0,0.0,,3.0,0.0,0.0,0.0,0.0,,0.0,0.0,3.0,,6.85337114334106,,0.0,0.760079681873322,4.19837713241577,,0.0,0.0680413842201233,1.65096366405487,0.0,3.87279200553894,0.0,0.20412415266037,5.85380077362061,0.16666667163372,0.0,2.86036610603333,,0.0,0.0,0.0,1.81676292419434,,369.0,9.0,0.0240562614053488,1.33160018920898,0.0,0.0721687823534012,0.547384202480316,0.504473328590393,9.0,67.0,84.0,,0.0680413842201233,487.7451171875,,525.672973632812,0.0,,,12.0,663.194458007812,0.0,10.0,510.820190429688,0.0,4.0,,182.159240722656,3.0,0.0,0.0,0.0,0.0,3.0,6.23205089569092,3.23803377151489,0.455341815948486,1.65096366405487
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%29,2.76144790649414,0.0,0.0,1.0,0.0141421351581812,1.27335560321808,0.0,0.0,0.710170149803162,0.379287779331207,0.0,0.136762395501137,0.0,0.0630376115441322,0.0,0.0,3.0,0.0,4.0,0.351063847541809,0.0,13.0,-0.189451888203621,4.70043992996216,0.0,52.0,1.2831118106842,7.40816307067871,0.063002422451973,0.5,0.685006737709045,14.0,1.73998725414276,6.12244892120361,-0.0110470522195101,1.0,2.13864016532898,-0.148000985383987,0.0,0.0,0.297833114862442,0.323069870471954,0.0,1.0,0.30470472574234,0.0,0.0,85.4899978637695,,0.0,0.333333343267441,0.0,1.41421353816986,0.0,2.0,0.0,0.0,0.0,0.0,10.2675848007202,0.0,0.0,0.810617208480835,6.11259078979492,0.0,0.0,0.0,1.10520946979523,0.0,4.91738939285278,0.0,0.0,2.24957680702209,0.117851130664349,0.0,3.11628842353821,1.0,0.0,0.0,0.0,2.16864395141602,0.0,420.070007324219,24.1161251068115,0.0,1.47248339653015,0.0,0.0,0.436891555786133,0.434195280075073,16.1941165924072,144.0,278.0,1.0,0.227670907974243,529.622985839844,0.0,543.305541992188,0.646330416202545,0.0,1.0,19.3010482788086,607.516662597656,0.0,19.9023017883301,573.628784179688,1.0,19.8262481689453,2.0,512.704895019531,0.0,0.0,1.0,0.0,0.0,1.0,7.97688007354736,4.23143148422241,0.298006236553192,0.333333343267441
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%2C5-6H2,5.89342260360718,0.0645497217774391,3.33070135116577,1.0,0.216936945915222,4.49941635131836,0.0,0.0161374304443598,3.52325654029846,2.6401481628418,0.0,1.69437479972839,0.0,1.11082172393799,0.0,0.0,2.0,0.0,1.0,0.488663256168365,8.0,15.5232000350952,-0.118472687900066,5.45943164825439,0.0,130.0,5.791907787323,5.25,-0.262093782424927,0.5,0.0,44.0,9.40066242218018,2.25921511650085,0.176053449511528,0.0,14.7481441497803,0.121241338551044,0.0,0.0,2.13801145553589,3.3087306022644,0.0,0.0,4.35941314697266,0.0,0.0,110.379997253418,0.0,3.0,0.0,1.0,0.0,0.0,0.0,2.0,0.0,4.0,0.0,15.645899772644,0.0,0.0680413842201233,2.37328267097473,10.4045028686523,0.0,0.0,0.410886287689209,4.299147605896,0.144337564706802,10.5139799118042,0.0,1.04570031166077,18.8937854766846,0.767676472663879,0.0,9.47815322875977,0.0,0.0510310381650925,2.7494592666626,0.0481125228106976,7.93161392211914,1.0,1059.06005859375,26.6468143463135,0.20584724843502,6.97484397888184,0.0,0.373236387968063,0.69341367483139,5.46465110778809,27.3246440887451,364.0,912.0,0.0,4.23166036605835,1566.45446777344,0.0,1968.73278808594,1.60495579242706,0.0,0.0,44.6492881774902,3110.509765625,1.12116694450378,52.0792541503906,3216.9697265625,1.0,42.7558479309082,5.0,2634.70703125,9.0,0.0,1.0,0.0,0.0,0.0,11.4452810287476,6.85290288925171,1.08019459247589,12.7888317108154
InChI%3D1S%2FC2H5Br%2Fc1-2-3%2Fh2H2%2C1H3,1.38873016834259,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,2.0,0.0293095912784338,0.0,3.0,-0.0118375355377793,2.58496260643005,0.0,6.0,0.0,2.0,-0.00281726010143757,0.5,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.70710682868958,0.0,0.0,0.0,1.41421353816986,0.0,0.0,0.0,0.0,0.0,0.70710676908493,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,43.0099983215332,46.2580909729004,0.0,0.0,0.0,0.0,0.752328038215637,0.0,7.65267562866211,6.0,4.0,0.0,0.0,111.527198791504,0.0,78.1987609863281,0.0,0.0,0.0,6.65267562866211,31.3256549835205,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,3.67106771469116,2.09583687782288,0.0,0.0
InChI%3D1S%2FC11H14N2O4%2Fc1-8%282%2916-9-6-4-5-7-10%289%2917-11%2814%2913%283%2912-15%2Fh4-8H%2C1-3H3,3.58656692504883,0.0,0.0,0.800000011920929,0.0305555555969477,1.79579615592957,0.0,0.0,1.07923436164856,0.688663840293884,0.0,0.304850846529007,0.333333343267441,0.15500682592392,0.0,0.0,0.0,0.0,2.0,0.459387540817261,2.0,15.0588235855103,-0.305740475654602,5.08746290206909,0.595275402069092,78.0,2.31178212165833,7.43801641464233,0.128591746091843,0.444444447755814,2.27924919128418,22.0,2.93033885955811,5.01760005950928,-0.0389895476400852,3.67871379852295,3.75760746002197,-0.0879008546471596,0.0,0.0,0.560572743415833,0.598572313785553,0.0,1.0,0.641880691051483,0.0,0.0,68.1999969482422,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,4.0,0.0,12.8364992141724,0.0,0.0,1.21298611164093,8.04091262817383,0.0,0.0,0.0833333358168602,3.96540641784668,0.0,7.03268384933472,0.0,0.117851130664349,5.91147565841675,0.25,0.0,5.130539894104,0.0,0.0,0.0,0.0,3.62277698516846,2.0,689.059997558594,20.8178520202637,0.0277777779847383,2.73376631736755,0.0,0.0226804614067078,0.53538703918457,1.61946988105774,19.9062843322754,234.0,546.0,2.0,1.0665534734726,776.541748046875,0.0,854.248291015625,0.25,0.0,1.0,26.7597885131836,1086.45166015625,0.977846026420593,27.036413192749,1051.31408691406,1.0,24.0400447845459,0.0,920.039855957031,6.0,0.0,1.0,0.0,0.0,3.0,9.91417217254639,5.08764410018921,0.490821182727814,2.52506470680237
InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H,1.03125095367432,0.0,0.0,0.0,0.0,0.594819009304047,0.0,0.0,0.340206921100616,0.0,0.0,0.0,0.0,0.0,0.0,1.0,2.0,0.0,1.0,0.147537589073181,0.0,3.20000004768372,-0.0772636160254478,3.32192802429199,0.0,20.0,0.0,1.44000005722046,0.0034948168322444,0.0,0.0,0.0,0.0,0.639999985694885,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.1400003433228,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.5355339050293,0.0,0.176776692271233,0.0,2.5,0.0,0.0,0.0,4.24264049530029,0.0,1.76776695251465,0.0,0.0,0.0,0.0,0.0,1.25,0.0,0.0680413842201233,0.0,0.0,0.883883476257324,1.0,101.01000213623,5.77446889877319,0.0,0.0,2.0,0.0,0.343235790729523,0.0,5.66418409347534,20.0,15.0,0.0,0.0,156.441818237305,0.0,156.167953491211,0.0,0.0,0.0,5.66418409347534,155.737380981445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,2.97716236114502,1.76595902442932,0.0,0.0
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InChI%3D1S%2FC6H12N2O4%2Fc1-4%289%292-7-3-5%2810%296%2811%298-12%2Fh5-7%2C10-11H%2C2-3H2%2C1H3,2.4192852973938,0.0,0.0,1.0,0.0210818517953157,1.17957162857056,0.0,0.0,0.571741819381714,0.271625280380249,0.0,0.15661033987999,0.0,0.060089573264122,0.0,0.0,2.0,0.0,4.0,0.468659460544586,0.0,12.0,-0.0817853286862373,4.58496236801147,0.0,48.0,1.49578189849854,6.50887584686279,-0.267679393291473,0.5,0.70710676908493,12.0,1.29337978363037,6.25,0.0928576365113258,0.965489387512207,0.990630388259888,0.0839372277259827,0.0,0.0,0.323325574398041,0.209671139717102,0.0,1.0,0.136489242315292,0.0,0.0,98.9899978637695,0.0,0.0,0.25,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,9.56047821044922,0.0,0.0,0.879652798175812,5.57458591461182,0.0,0.0,0.0,0.5,0.0,4.68756675720215,0.0,0.0,2.94168281555176,0.16666667163372,1.0,3.05629539489746,0.0,0.0,0.0,0.0,1.53496146202087,0.0,397.059997558594,15.8178520202637,0.0,0.740630388259888,0.0,0.0,0.729485929012299,0.571272253990173,13.0482978820801,135.0,237.0,2.0,0.280420333147049,409.241455078125,0.0,417.469879150391,1.25230741500854,0.0,0.0,16.0445728302002,459.213470458984,0.0,16.3720760345459,392.070343017578,2.0,11.6841993331909,2.0,297.049468994141,1.0,0.0,1.0,0.0,0.0,1.0,6.72705125808716,3.46353673934937,0.31641349196434,1.10520946979523
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InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2,0.462910056114197,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0278811901807785,0.0,3.0,-0.0112892696633935,2.58496260643005,0.0,6.0,0.0,2.0,-0.00265132472850382,0.5,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.70710682868958,0.0,0.0,0.0,1.41421353816986,0.0,0.0,0.0,0.0,0.0,0.70710676908493,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,19.0100002288818,10.7127532958984,0.0,0.0,1.0,0.0,0.716226994991302,0.0,3.95173740386963,6.0,4.0,0.0,0.0,81.0053176879883,0.0,56.6020469665527,0.0,0.0,0.0,2.95173740386963,23.3460159301758,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.41835045814514,1.06290197372437,0.0,0.0
InChI%3D1S%2FC2H3Br%2Fc1-2-3%2Fh2H%2C1H2,0.801783740520477,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0164902284741402,0.0,3.0,-0.00670298840850592,2.58496260643005,0.0,6.0,0.0,2.0,-0.00154212629422545,0.5,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.70710682868958,0.0,0.0,0.0,1.41421353816986,0.0,0.0,0.0,0.0,0.0,0.70710676908493,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.0100002288818,46.2580909729004,0.0,0.0,1.0,0.0,0.793322801589966,0.0,7.65267562866211,6.0,4.0,0.0,0.0,114.287864685059,0.0,79.9560928344727,0.0,0.0,0.0,6.65267562866211,32.428466796875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.24841809272766,1.5421416759491,0.0,0.0
InChI%3D1S%2FC6H4Cl2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H,2.30930733680725,0.0,0.0,0.666666686534882,0.0,1.30749583244324,0.0,0.0,0.681525647640228,0.59917026758194,0.0,0.125988155603409,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0509229935705662,2.0,6.125,-0.0152897946536541,4.0,0.0,36.0,0.816496610641479,2.51999998092651,-0.00233003846369684,0.400000005960464,0.0,7.0,0.760079681873322,1.79999995231628,-0.00136178592219949,0.0,1.13807117938995,-0.0231314580887556,0.0,0.0,0.436435788869858,0.344206035137177,0.0,0.0,0.499412149190903,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,5.98312759399414,0.0,0.0,0.577350258827209,3.78769373893738,0.0,0.0,0.0833333358168602,3.30192732810974,0.0,3.3650438785553,0.0,0.16666667163372,5.65685415267944,0.0,0.0,2.30453038215637,2.0,0.0,0.0,0.0,1.4267463684082,0.0,88.0199966430664,23.4255065917969,0.0277777779847383,1.30473780632019,0.0,0.0629940778017044,0.551614582538605,0.333333343267441,11.9034748077393,58.0,62.0,0.0,0.0,452.600219726562,0.0,480.79052734375,0.0,0.0,0.0,17.8069496154785,564.630737304688,0.0,14.8069496154785,375.508026123047,0.0,5.90347480773926,0.0,101.468994140625,6.0,0.0,0.0,0.0,0.0,0.0,5.57718801498413,2.95526051521301,0.377964466810226,0.333333343267441
InChI%3D1S%2FC6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299,4.15168046951294,0.0,0.0,0.25,0.482142865657806,4.0044116973877,0.0,0.0,2.00220584869385,1.00110292434692,0.0,0.45367643237114,0.0,0.120535716414452,0.0,0.0,0.0,0.0,0.0,0.189304560422897,6.0,10.0833330154419,-3.46944695195361e-18,4.58496236801147,0.0,60.0,3.64273452758789,3.3950617313385,-0.0946522802114487,0.200000002980232,0.0,21.0,4.97606754302979,1.5625,-0.0473261401057243,0.0,7.01965713500977,3.46944695195361e-18,0.0,0.0,2.77899146080017,3.65978360176086,0.0,0.0,4.78164720535278,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.46410179138184,0.0,0.0,1.15470051765442,5.46410179138184,0.0,0.0,0.0370370373129845,0.0,0.0,5.154700756073,0.0,0.222222223877907,0.0,0.666666686534882,0.0,4.97606754302979,6.0,0.0,0.0,0.0,2.87293410301208,0.0,12.0600004196167,58.2765197753906,0.015625,1.65868926048279,0.0,0.106302507221699,0.374617755413055,0.829344630241394,23.7104244232178,102.0,174.0,0.0,0.222222223877907,1112.02917480469,0.0,1287.06384277344,0.0,0.0,0.0,41.4208488464355,1797.39135742188,0.0,90.6973724365234,1744.31628417969,0.0,69.986946105957,0.0,845.620544433594,6.0,0.0,0.0,0.0,0.0,0.0,9.80336093902588,4.90168046951294,0.85042005777359,9.12546539306641
InChI%3D1S%2FC2H5NO%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29,0.585410177707672,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0965122357010841,0.0,4.0,-0.0441818237304688,3.0,0.0,12.0,0.0,1.33333337306976,-0.00407429318875074,0.5,0.0,0.0,0.0,,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,44.0800018310547,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.5773503780365,0.0,0.0,0.577350258827209,1.73205077648163,0.0,0.0,0.0,0.0,0.0,1.73205077648163,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,52.0200004577637,5.13445711135864,0.0,0.0,0.0,0.0,0.879748225212097,0.0,3.49827718734741,9.0,9.0,0.0,0.0,79.0419998168945,0.0,64.1731872558594,0.0,0.0,0.0,4.0517430305481,52.4556083679199,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,2.44721364974976,0.973606824874878,0.111803397536278,0.0
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%2C1-4H3,6.65838050842285,0.117851130664349,1.85250663757324,1.0,0.168203353881836,4.58276700973511,0.0,0.0,3.42604804039001,2.55961799621582,0.0,1.5995512008667,0.25,1.04295885562897,0.0,0.0,0.0,0.0,2.0,0.557066082954407,7.0,17.4156379699707,-0.210522040724754,5.58496236801147,1.08364999294281,138.0,5.20828104019165,6.3106575012207,-0.0990970209240913,0.5,5.30222702026367,48.0,9.3944845199585,2.82333326339722,-0.232138082385063,7.42786931991577,15.2365789413452,0.530371069908142,1.63299322128296,0.0,2.07414174079895,3.05118560791016,0.0,1.0,4.04992532730103,0.0,0.0,38.7700004577637,0.0,0.0,0.0,1.0,0.0,0.0,0.0,4.0,0.0,5.0,0.0,17.0601139068604,0.0,0.0,2.55581068992615,11.4266519546509,0.0,0.0,0.224656850099564,5.80259275436401,0.25,11.2200775146484,0.0,0.607585906982422,17.2723503112793,0.546985328197479,0.0,9.62755584716797,0.0,0.0,1.65523326396942,0.0,8.69066524505615,2.0,1564.0400390625,26.6833953857422,0.0768057405948639,7.78535461425781,2.0,0.170689880847931,,5.75079965591431,29.1590156555176,399.0,1141.0,1.0,4.37420654296875,1921.11511230469,0.0,2375.25170898438,0.0,0.0,1.0,45.6535682678223,3673.05615234375,0.40824830532074,52.3180313110352,4102.3662109375,0.0,53.0325355529785,0.0,3681.16674804688,3.0,0.0,9.0,0.0,0.0,4.0,14.2134103775024,7.93455600738525,1.33647608757019,13.1870088577271
InChI%3D1S%2FC5H12N2O3%2Fc1-5%289%294-7%286-10%292-3-8%2Fh5%2C8-9H%2C2-4H2%2C1H3,2.06690835952759,0.0,0.0,1.0,0.0,0.948556900024414,0.0,0.0,0.585876286029816,0.239434629678726,0.0,0.0590822473168373,0.0,0.0,0.0,0.0,3.0,0.0,4.0,0.240894138813019,0.0,10.0,-0.0702354088425636,4.32192802429199,0.0,38.0,0.702015101909637,5.76000022888184,-0.0694987028837204,0.5,0.877205312252045,9.0,1.05889523029327,5.53086423873901,0.0811028182506561,1.0,1.03240871429443,-0.0802550092339516,0.0,0.0,0.250920206308365,0.302690118551254,0.0,0.0,0.205912604928017,0.0,0.0,73.129997253418,,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,7.98312759399414,0.0,0.0,0.61237245798111,4.70190715789795,0.0,0.0,0.0,1.65096366405487,0.0,3.69249796867371,0.0,0.0,1.31037068367004,0.0,0.0,2.0790114402771,,0.0,0.0,0.0,1.56355690956116,0.0,351.049987792969,13.0433835983276,0.0,0.891010880470276,0.0,0.0,0.510549664497375,0.235702261328697,10.910008430481,81.0,134.0,1.0,0.0,336.996612548828,0.0,339.507019042969,0.56462162733078,0.0,1.0,12.2144832611084,363.764099121094,0.0,11.2696714401245,302.818725585938,1.0,11.6014852523804,2.0,248.818557739258,0.0,0.0,1.0,0.0,0.0,1.0,5.89577341079712,3.07505488395691,0.28257417678833,0.0
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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%29,2.41972279548645,0.0,0.0,1.0,0.0166666675359011,1.4178307056427,0.0,0.0,0.811644434928894,0.520403027534485,0.0,0.213545233011246,0.0,0.0839137211441994,0.0,1.0,0.0,0.0,0.0,0.318831235170364,3.0,11.0769233703613,-0.13157656788826,4.70043992996216,0.0,60.0,1.8026887178421,5.02422142028809,-0.0491743870079517,0.5,0.0,15.0,1.80753147602081,3.70370364189148,0.0268169119954109,0.0,2.51422595977783,0.0216596145182848,0.0,0.0,0.391465961933136,0.371276557445526,0.0,1.0,0.387579053640366,0.0,0.0,77.7600021362305,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,9.84493541717529,0.0,0.0,1.08377695083618,6.09222412109375,0.0,0.0,0.0680413842201233,4.55655384063721,0.0,5.60484266281128,0.0,0.184195280075073,9.3907413482666,0.16666667163372,0.0,3.85904479026794,0.0,0.0,0.0,0.0,2.49027848243713,0.0,285.040008544922,16.0978755950928,0.0240562614053488,2.07856464385986,2.0,0.0354054644703865,0.842024266719818,1.142218708992,14.3283681869507,157.0,270.0,1.0,0.638022303581238,593.827270507812,0.0,652.186828613281,1.16340255737305,0.0,0.0,19.7670211791992,816.09326171875,0.0,17.7670211791992,706.653442382812,0.0,11.6604595184326,3.0,450.573394775391,7.0,0.0,0.0,0.0,0.0,0.0,6.63664054870605,3.52366209030151,0.27802911400795,2.10257887840271
InChI%3D1S%2FC3H6O3S%2Fc4-7%285%293-1-2-6-7%2Fh1-3H2,2.42603993415833,0.0417188480496407,0.0,0.5,0.0,1.5402774810791,1.0,0.0,1.02061414718628,0.20437978208065,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,2.0,0.27516970038414,0.0,5.14285707473755,-0.162889316678047,3.80735492706299,0.0,34.0,1.20710682868958,1.5,0.111723847687244,0.333333343267441,0.0,4.0,1.45710682868958,1.1851851940155,-0.0864193812012672,0.0,0.5,0.0,0.0,0.0,0.403014659881592,0.446163654327393,0.0,0.0,0.0834376960992813,0.0,0.0,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.3284273147583,0.0,0.125,1.20710682868958,3.20710682868958,0.0,0.0,0.25,2.38110160827637,0.25,3.37132024765015,0.0,0.125,0.0,0.0,0.0,1.95710682868958,0.0,0.125156536698341,0.0,0.0,1.33210682868958,1.0,127.040000915527,15.4511604309082,0.102189891040325,0.5,0.0,0.0208594240248203,0.364761859178543,0.0,16.6710758209229,34.0,39.0,2.0,0.0,355.687530517578,0.0,378.366729736328,0.5,0.0,0.0,16.9913463592529,506.468109130859,1.0,5.32836771011353,164.179504394531,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,4.21317529678345,2.96380305290222,0.365569025278091,0.0
InChI%3D1S%2FCHBr3%2Fc2-1%283%294%2Fh1H,6.68076753616333,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0976382568478584,0.0,4.0,-0.073228694498539,3.0,0.0,12.0,0.0,1.33333337306976,0.0244095642119646,0.5,0.0,0.0,0.0,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.5773503780365,0.0,0.0,0.577350258827209,1.73205077648163,0.0,0.0,0.0,0.0,0.0,1.73205077648163,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.03000020980835,133.774276733398,0.0,0.0,0.0,0.0,0.514195442199707,0.0,19.9580268859863,9.0,9.0,0.0,0.0,347.385314941406,0.0,296.05615234375,0.0,0.0,0.0,132.774276733398,204.55891418457,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.46923351287842,3.40168023109436,4.37358903884888,0.0
InChI%3D1S%2FC7H7NO2%2Fc1-6-4-2-3-5-7%286%298%289%2910%2Fh2-5H%2C1H3,2.04359650611877,0.0,0.0,0.666666686534882,0.0480260848999023,1.31215047836304,0.0,0.0,0.768270313739777,0.382261961698532,0.0,0.118254981935024,0.0,0.0327086187899113,0.0,0.0,0.0,0.0,1.0,0.0564448907971382,2.0,8.10000038146973,-0.00296586193144321,4.32192802429199,0.0,46.0,1.49826681613922,3.40828394889832,-0.0134109333157539,0.400000005960464,1.3731781244278,12.0,2.17455840110779,1.99111115932465,-0.00380472932010889,1.41421353816986,2.13370633125305,-0.00809740088880062,0.0,0.0,0.463156819343567,0.491504997014999,0.0,0.0,0.390184938907623,0.0,0.0,34.1399993896484,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,1.0,7.56047773361206,0.0,0.0,0.705118358135223,4.71521425247192,0.0,0.0,0.0833333358168602,3.96540641784668,0.0,4.16961240768433,0.0,0.131445854902267,4.29827976226807,0.232307806611061,0.0,3.03412985801697,0.0,0.0,0.0,0.0,2.33534574508667,0.0,199.029998779297,11.9089260101318,0.0277777779847383,1.34171581268311,0.0,0.0402003787457943,0.567773997783661,0.565641164779663,11.2731170654297,76.0,114.0,2.0,0.240562617778778,416.365631103516,0.0,455.863525390625,0.5,0.0,0.0,14.7710237503052,567.701110839844,0.0,13.8269233703613,467.438720703125,0.0,10.1587371826172,0.0,224.225357055664,5.0,0.0,0.0,0.0,0.0,1.0,5.57311105728149,2.91610550880432,0.246155083179474,1.0
InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H,1.02456390857697,0.0,0.0,0.0,0.0,0.566487431526184,0.0,0.0,0.312602013349533,0.172132596373558,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0791397169232368,0.0,4.16666650772095,-0.0437007546424866,3.58496260643005,0.0,24.0,0.0,2.22222232818604,0.000813454913441092,0.0,0.0,3.0,0.0,1.33333337306976,0.00331744039431214,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.8900003433228,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,4.24264049530029,1.0,0.0,0.0,3.0,0.0,0.0,0.125,6.08364343643188,0.0,2.12132024765015,0.0,0.0,0.0,0.0,0.0,1.5,0.0,0.0,0.0,0.0,1.06066012382507,0.0,91.0100021362305,6.35998821258545,0.0286887660622597,0.75,0.0,0.0,0.448288261890411,0.0,6.33237028121948,36.0,27.0,0.0,0.0,211.321029663086,0.0,211.235198974609,0.0,0.0,0.0,6.33237028121948,211.081634521484,0.0,3.16618514060974,105.502426147461,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,3.33396482467651,1.84973108768463,0.0,0.0
InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2,2.14031529426575,0.0,0.0,1.0,0.0,1.70443499088287,0.0,0.0,0.371153742074966,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.149364098906517,0.0,6.0,-0.0248940158635378,3.58496260643005,0.0,20.0,0.577350258827209,3.20000004768372,-0.0746820494532585,0.5,0.0,4.0,0.288675129413605,3.0,-3.46944695195361e-18,0.0,0.0,0.0248940158635378,0.0,0.0,0.742307484149933,0.420848786830902,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.99156379699707,0.0,0.0,0.288675129413605,2.80806040763855,0.0,0.0,0.0,0.5,0.0,1.92166829109192,0.0,0.0,2.0,0.0,0.0,1.39384686946869,3.0,0.0,0.0,0.0,0.288675129413605,0.0,70.0299987792969,29.1382598876953,0.0,0.0,0.0,0.0,0.602600932121277,0.0,10.8552122116089,29.0,31.0,0.0,0.0,310.086273193359,0.0,289.183959960938,0.0,0.0,0.0,12.8069496154785,263.730133056641,0.0,23.3289813995361,160.229598999023,1.0,8.71275329589844,0.0,32.0823135375977,0.0,0.0,1.0,0.0,0.0,0.0,5.39324426651001,3.07471776008606,0.327326834201813,0.0
InChI%3D1S%2FC2H4Br2%2Fc3-1-2-4%2Fh1-2H2,1.96396100521088,0.0,0.0,0.5,0.0,1.92857146263123,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0663592517375946,0.0,4.0,-0.0165898129343987,3.0,0.0,10.0,0.0,3.0,-0.0331796258687973,0.333333343267441,0.0,1.0,0.0,4.0,0.0165898129343987,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.41421365737915,0.0,0.0,0.0,1.91421353816986,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,37.0200004577637,90.5161819458008,0.0,0.0,0.0,0.0,0.653947174549103,0.0,14.3053512573242,14.0,10.0,0.0,0.0,231.67333984375,0.0,184.801040649414,0.0,0.0,0.0,13.3053512573242,111.886520385742,0.0,44.2580909729004,42.9221534729004,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.34213542938232,3.27746033668518,0.0,0.0
InChI%3D1S%2FC7H11N5O2%2Fc1-8-7%2813%295-6%2812%283%2910-14%299-4-11%285%292%2Fh4H%2C1-3H3%2C%28H%2C8%2C13%29,3.24603772163391,0.0,0.0,0.75,0.11761175096035,2.34876751899719,0.0,0.0,1.54638803005219,0.87148255109787,0.0,0.347991019487381,0.0,0.0968829467892647,0.0,1.0,1.0,0.0,1.0,0.391011476516724,0.0,12.0714282989502,-0.272973328828812,4.80735492706299,0.56462162733078,66.0,2.49289393424988,5.18559551239014,0.100071474909782,0.428571432828903,0.877205312252045,20.0,4.02668571472168,2.53439998626709,-0.01543696410954,3.22147059440613,5.20361995697021,0.019749078899622,0.0,0.0,1.07209658622742,1.40965557098389,0.0,1.0,1.46473157405853,0.0,0.0,83.0800018310547,0.0,0.0,0.766309440135956,0.0,2.49804949760437,0.0,2.0,0.0,0.0,0.0,0.0,10.7151784896851,0.0,0.0962250456213951,0.95430064201355,6.61259078979492,0.0,0.0,0.207336157560349,0.0,0.0,5.56690359115601,0.0,0.332864671945572,1.31037068367004,0.298720806837082,1.0,4.78266382217407,0.0,0.0527046285569668,0.0,0.0,3.48384523391724,0.0,659.070007324219,17.3488788604736,0.102627165615559,2.33338594436646,0.0,0.119389027357101,0.861827194690704,1.23774707317352,16.7412128448486,145.0,290.0,1.0,0.485082000494003,736.0771484375,0.0,841.888000488281,0.16666667163372,0.0,2.0,22.3222961425781,1151.95495605469,0.0,24.1250953674316,1043.10559082031,2.0,23.8999347686768,1.0,845.218017578125,0.0,0.333333343267441,1.0,0.0,0.0,3.0,8.50612354278564,4.26829099655151,0.504850447177887,2.38110160827637
InChI%3D1S%2FC12H10N2O%2Fc15-14-12-8-6-11%287-9-12%2913-10-4-2-1-3-5-10%2Fh1-9%2C13H,3.12918663024902,0.0,0.0,1.0,0.0,2.03517818450928,0.0,0.0,1.29377436637878,0.855744063854218,0.0,0.347172290086746,0.0,0.18889881670475,0.0,0.0,0.0,0.0,0.0,0.073395237326622,3.0,11.484375,-0.00834529846906662,4.90689039230347,0.0,72.0,1.30585181713104,5.91499996185303,-0.0181333404034376,0.5,0.0,18.0,1.79898548126221,3.5,-0.00537424627691507,0.0,2.14255714416504,-0.0232508424669504,0.0,0.0,0.392278760671616,0.454688489437103,0.0,0.0,0.462386935949326,0.0,0.0,41.4599990844727,0.0,0.0,0.200000002980232,0.0,0.0,0.0,1.0,0.0,0.0,9.0,0.0,10.5102252960205,0.0,0.0,0.61237245798111,7.38134145736694,0.0,0.0,0.185395404696465,11.3306121826172,0.0,6.0347375869751,0.0,0.19001992046833,10.1704950332642,0.0,1.0,4.93508815765381,0.0,0.0,0.0,0.0,3.76968121528625,0.0,466.029998779297,16.4944458007812,0.0598527938127518,3.02161502838135,0.0,0.0423489958047867,0.734539151191711,1.68752896785736,17.0520210266113,240.0,408.0,1.0,1.10703253746033,813.424011230469,0.0,907.79736328125,0.0,0.0,0.0,21.3292026519775,1140.24304199219,0.0,19.6612949371338,998.515747070312,0.0,14.1627397537231,0.0,713.195434570312,12.0,0.0,0.0,0.0,0.0,0.0,8.05161476135254,4.63823175430298,0.241202265024185,0.965489387512207
InChI%3D1S%2FC11H12N2O%2Fc1-9-8-11%2814%2913%2812%289%292%2910-6-4-3-5-7-10%2Fh3-8H%2C1-2H3,3.66790556907654,0.0,0.0,0.75,0.141617596149445,2.66039371490479,0.0,0.0,1.7396684885025,1.02240478992462,0.0,0.450016915798187,0.0,0.23628006875515,0.0,1.0,1.0,0.0,1.0,0.227519884705544,1.0,10.5155553817749,-0.0806781351566315,4.80735492706299,0.333333343267441,72.0,2.41709804534912,4.24489784240723,-0.0755513608455658,0.428571432828903,2.60638952255249,20.0,4.08954620361328,2.02040815353394,0.0758760347962379,2.44948983192444,5.36087369918823,-0.0339971259236336,0.0,0.0,1.11554861068726,1.42955577373505,0.0,1.0,1.57147467136383,0.0,0.0,23.5499992370605,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,10.1293916702271,0.0,0.0785674229264259,0.941632390022278,6.69837713241577,0.0,0.0,0.383125245571136,6.40992593765259,0.0,6.024827003479,0.0,0.494860619306564,6.64172744750977,0.334355771541595,0.0,5.09948778152466,0.0,0.040824830532074,0.0,0.0,4.26877164840698,0.0,659.030029296875,15.4944448471069,0.150803759694099,2.95054340362549,0.0,0.161230936646461,0.735257744789124,1.43420565128326,16.3568210601807,161.0,284.0,1.0,0.939397633075714,858.290710449219,0.0,996.012573242188,0.0,0.0,2.0,23.3812255859375,1381.72375488281,0.0,22.0485763549805,1212.3017578125,1.0,17.8269233703613,0.0,883.114440917969,6.0,1.0,2.0,0.0,0.0,2.0,8.47388362884521,4.80658578872681,0.48712956905365,1.31037068367004
InChI%3D1S%2FC4H9N3O2%2Fc1-2-3-7%286-9%294%285%298%2Fh2-3H2%2C1H3%2C%28H2%2C5%2C8%29,1.52839851379395,0.0,0.0,0.666666686534882,0.0158113874495029,0.778459012508392,0.0,0.0,0.397199749946594,0.146726533770561,0.0,0.0,0.0,0.0,0.333333343267441,0.0,2.0,0.5,2.0,0.157817736268044,0.0,9.0,-0.112797528505325,4.16992521286011,0.0,34.0,1.08925569057465,4.83950614929199,0.0917201563715935,0.400000005960464,1.41421353816986,9.0,1.20710682868958,3.55555558204651,-0.083023726940155,0.25,0.804737865924835,0.0258188657462597,0.0,0.0,0.203561648726463,0.179245501756668,0.0,1.0,0.110408402979374,1.0,0.0,76.75,,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,7.27602100372314,0.0,0.0,0.5,4.21874380111694,0.0,0.0,0.0,1.0,0.0,3.20102000236511,0.0,0.0,0.816496610641479,0.16666667163372,0.0,2.12665247917175,0.0,0.0,0.0,0.0,1.37965285778046,0.0,217.050003051758,11.6289024353027,0.0,0.537457466125488,0.0,0.0,0.803266525268555,0.0,9.74410152435303,63.0,96.0,1.0,0.0,293.121551513672,0.0,292.02001953125,0.25,0.0,1.0,11.5189418792725,312.041687011719,0.0,11.4082860946655,269.118988037109,0.0,9.32448959350586,1.0,170.500854492188,0.0,0.0,1.0,0.0,0.0,1.0,5.16410255432129,2.60312223434448,0.120710678398609,0.0
InChI%3D1S%2FC4H9N5O3%2Fc1-2-3-8%287-10%294%285%296-9%2811%2912%2Fh2-3H2%2C1H3%2C%28H2%2C5%2C6%29,1.92231166362762,0.0,0.0,0.75,0.0176776703447104,0.989272713661194,0.0,0.0,0.549440860748291,0.233881875872612,0.0,0.0528659746050835,0.0,0.020412415266037,0.816496610641479,0.0,2.0,0.816496610641479,2.0,0.153768226504326,0.0,12.0,-0.0882842466235161,4.58496236801147,0.0,48.0,1.2741539478302,6.50887584686279,0.0963400676846504,0.428571432828903,1.41421353816986,13.0,1.91036438941956,5.32544374465942,-0.135909050703049,0.25,1.83604872226715,0.073542520403862,0.0,0.0,0.257740557193756,0.270169079303741,0.0,1.0,0.210943922400475,1.0,0.0,102.690002441406,,0.0,0.333333343267441,0.0,2.37841415405273,0.0,1.0,0.0,0.0,0.0,1.0,9.56047821044922,0.0,0.0,0.810617208480835,5.61259078979492,0.0,0.0,0.0,1.0,0.0,4.56383609771729,0.0,0.0,0.816496610641479,0.117851130664349,1.0,2.83177065849304,0.0,0.0,0.0,0.0,2.19782185554504,0.0,268.079986572266,16.123348236084,0.0,1.03780853748322,0.0,0.0,0.577287971973419,0.396574229001999,14.0451154708862,116.0,217.0,3.0,0.136082768440247,402.640899658203,0.0,417.653106689453,0.721124768257141,0.0,1.0,17.179573059082,473.449920654297,0.0,16.4330615997314,444.263092041016,0.0,17.6776180267334,0.0,357.695343017578,0.0,0.333333343267441,1.0,0.0,0.0,1.0,6.48059940338135,3.21827077865601,0.163880184292793,0.0
InChI%3D1S%2FC8H11NO%2Fc1-6-3-4-8%2810-2%297%289%295-6%2Fh3-5H%2C9H2%2C1-2H3,2.24540448188782,0.0,0.0,1.0,0.0196418557316065,1.3852037191391,0.0,0.0,0.853774070739746,0.443124085664749,0.0,0.219724088907242,0.0,0.0253119710832834,0.0,0.0,0.0,0.0,1.0,0.1712396889925,3.0,8.10000038146973,-0.0904800891876221,4.32192802429199,0.16666667163372,46.0,1.40924251079559,3.40828394889832,-0.0292728636413813,0.5,2.0800838470459,12.0,1.94750583171844,1.99111115932465,0.0512384288012981,2.24957680702209,2.06838130950928,-0.00884069968014956,0.0,0.0,0.464345902204514,0.529958724975586,0.0,0.0,0.466113746166229,0.0,0.0,35.25,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,7.56047773361206,0.0,0.0,0.6910440325737,4.73638200759888,0.0,0.0,0.0680413842201233,1.65096366405487,0.0,4.06383609771729,0.0,0.184195280075073,5.85380077362061,0.117851130664349,0.0,3.13352584838867,0.0,0.0,0.0,0.0,2.33458280563354,1.0,351.019989013672,11.1344566345215,0.0240562614053488,1.39430165290833,0.0,0.0477660782635212,0.765403389930725,0.830066502094269,10.8303689956665,84.0,116.0,0.0,0.144337564706802,493.043334960938,0.0,535.8583984375,0.0,0.0,0.0,13.9965543746948,677.41455078125,0.0,13.5500202178955,567.162963867188,0.0,7.83064794540405,0.0,275.319580078125,5.0,0.0,0.0,1.0,0.0,2.0,6.21764945983887,3.1390814781189,0.308925569057465,1.65096366405487
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%29,2.66748070716858,0.0,0.0,1.0,0.0,1.46000862121582,0.0,0.0,1.08458745479584,0.531938850879669,0.0,0.323128581047058,0.0,0.0703119933605194,0.0,1.0,2.0,0.0,1.0,0.214425042271614,3.0,9.09090900421143,-0.158298835158348,4.45943164825439,0.0,50.0,1.04670643806458,4.13265323638916,0.106770150363445,0.5,1.5,12.0,2.01430463790894,2.84444451332092,-0.0777667835354805,0.711378633975983,2.10376572608948,0.0244564302265644,0.0,0.0,0.347735911607742,0.562226474285126,0.0,0.0,0.506179809570312,0.0,0.0,84.8099975585938,0.0,0.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,8.26758480072021,2.0,0.0,0.781474411487579,5.21954536437988,0.0,0.0,0.0680413842201233,1.65096366405487,0.0,4.57215070724487,0.0,0.184195280075073,4.24583578109741,0.0,0.0,2.9730658531189,0.0,0.0,0.0,0.0,2.75758361816406,0.0,331.040008544922,18.6221981048584,0.0144337564706802,1.56730246543884,0.0,0.0360260978341103,0.887689352035522,1.09929239749908,13.666618347168,103.0,158.0,0.0,0.260491460561752,607.968994140625,0.0,654.817016601562,0.0,0.0,0.0,19.9710292816162,804.480102539062,0.0,16.5023097991943,685.703125,0.0,17.113899230957,1.0,479.592437744141,2.0,0.0,2.0,0.0,0.0,1.0,7.17484521865845,3.92686486244202,0.283186197280884,1.5
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InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29,1.62993609905243,0.0,0.0,0.5,0.0,1.02604758739471,0.0,0.0,0.649519026279449,0.144337564706802,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,4.0,0.126900359988213,0.0,4.16666650772095,-0.0846203714609146,3.58496260643005,0.0,26.0,0.40824830532074,1.63265311717987,0.0128357857465744,0.333333343267441,0.666666686534882,2.0,0.433012694120407,0.979591846466064,0.00833440199494362,1.0,0.0,0.0,0.0,0.0,0.20412415266037,0.216506347060204,0.0,0.0,0.0,0.0,0.0,25.7800006866455,0.0,0.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.40577745437622,0.0,0.144337564706802,0.288675129413605,2.8938467502594,0.0,0.0,0.144337564706802,1.0,0.0,2.38962864875793,0.0,0.0,1.0,0.0,2.0,1.64384686946869,0.0,0.0721687823534012,0.0,0.0,1.12993609905243,0.0,226.020004272461,6.71997594833374,0.0721687823534012,0.288675129413605,0.0,0.0,0.604651808738708,0.0,6.66474103927612,29.0,26.0,0.0,0.0,240.728927612305,0.0,249.101669311523,0.0,0.0,0.0,8.02472877502441,279.905395507812,0.0,2.0,68.8050308227539,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,3.99156379699707,2.36180734634399,0.144337564706802,0.0
InChI%3D1S%2FC34H28N6O16S4%2Fc1-55-25-9-15%283-5-23%2825%2937-39-31-27%2859%2849%2C50%2951%2911-17-7-19%2857%2843%2C44%2945%2913-21%2835%2929%2817%2933%2831%2941%2916-4-6-24%2826%2810-16%2956-2%2938-40-32-28%2860%2852%2C53%2954%2912-18-8-20%2858%2846%2C47%2948%2914-22%2836%2930%2818%2934%2832%2942%2Fh3-14%2C37-38H%2C35-36H2%2C1-2H3%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29%28H%2C49%2C50%2C51%29%28H%2C52%2C53%2C54%29,15.6637554168701,0.129261121153831,0.0,0.928571403026581,0.536275088787079,10.6432332992554,4.0,0.0402007550001144,7.37206745147705,5.23520517349243,0.0476190485060215,3.30561685562134,0.142857149243355,2.21138381958008,0.868474066257477,0.0,0.0,0.0,0.0,1.54294872283936,14.0,49.4343185424805,-0.630253970623016,6.90689039230347,0.111111111938953,334.0,14.3786478042603,19.0768928527832,-0.0371072590351105,0.481481492519379,3.17064237594604,114.0,21.7000999450684,11.0048208236694,-0.122197970747948,5.05966854095459,32.5541152954102,-0.0319770239293575,0.0,0.0,4.83128023147583,6.02508497238159,0.0,6.0,7.38324213027954,0.0,0.0,404.420013427734,0.0,6.0,1.29482793807983,0.0,0.0,0.0,2.0,0.0,0.0,10.0,0.0,44.2749290466309,0.0,0.0,8.67250442504883,27.8261032104492,0.0,0.0,0.33791571855545,9.36526298522949,1.15470051765442,29.3182983398438,0.0,0.897162735462189,37.7282447814941,2.47303819656372,2.0,22.0939540863037,0.0,0.0,0.0,0.524377405643463,18.5755004882812,2.0,5109.259765625,99.0624465942383,0.125863581895828,15.7927083969116,2.0,0.273863315582275,0.862300992012024,11.3822622299194,106.065574645996,2704.0,18484.0,10.0,9.72194004058838,5283.80859375,0.0,6368.69580078125,8.25507259368896,0.0,0.0,133.952713012695,9619.6357421875,2.41305565834045,148.746276855469,10575.486328125,0.0,164.513732910156,4.0,10090.6982421875,26.0,0.0,0.0,2.0,0.0,2.0,32.1336059570312,19.4122619628906,2.8212103843689,0.0
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InChI%3D1S%2FC4H10N2O%2Fc1-3-6%284-2%295-7%2Fh3-4H2%2C1-2H3,1.22055470943451,0.0,0.0,1.0,0.0,0.845526337623596,0.0,0.0,0.339076846837997,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,4.0,0.0585289783775806,0.0,7.0,-0.0320381671190262,3.80735492706299,0.25,24.0,0.61237245798111,4.16666650772095,0.0282179713249207,0.5,2.30940103530884,6.0,0.61237245798111,2.66666674613953,-0.0203725434839725,0.0,0.0,-0.00507174944505095,0.0,0.0,0.240824833512306,0.181649655103683,0.0,0.0,0.0,0.0,0.0,32.6699981689453,,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,5.69867038726807,0.0,0.0,0.20412415266037,3.34606528282166,0.0,0.0,0.0,0.5,0.0,2.09077024459839,0.0,0.0,0.0,0.0,0.0,1.73205077648163,,0.0,0.0,0.0,0.866025388240814,0.0,214.029998779297,8.49444484710693,0.0,0.0,0.0,0.0,0.704397916793823,0.0,7.24582433700562,36.0,48.0,1.0,0.0,213.901000976562,0.0,201.253967285156,0.0,0.0,1.0,7.21820688247681,194.227340698242,0.0,6.99655437469482,154.646636962891,0.0,3.66418385505676,0.0,58.4854698181152,0.0,0.0,0.0,0.0,0.0,2.0,4.71688890457153,2.42924332618713,0.100000001490116,0.0
InChI%3D1S%2FC8H14O4%2Fc1-5-4-8%2811-6%282%299%2912-7%283%2910-5%2Fh5%2C7-8H%2C4H2%2C1-3H3,2.92510581016541,0.0,0.0,1.0,0.0,1.58915197849274,0.0,0.0,1.2160941362381,0.584344267845154,0.0,0.368961304426193,1.19055080413818,0.0523368380963802,0.0,1.0,1.0,0.0,5.0,0.582213878631592,0.0,10.0833330154419,-0.398548871278763,4.58496236801147,0.57235711812973,56.0,1.25592231750488,4.296875,0.249255999922752,0.5,0.944940805435181,13.0,2.40841889381409,3.515625,-0.252439826726913,4.44007921218872,2.43677186965942,0.194190248847008,0.0,0.0,0.464261829853058,0.732688903808594,0.0,1.0,0.645101487636566,0.0,0.0,44.7599983215332,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.13782787322998,0.0,0.0,1.18972265720367,5.57538747787476,0.0,0.0,0.0680413842201233,0.0,0.0,5.41302490234375,0.0,0.184195280075073,2.30940103530884,0.0,0.0,3.0808801651001,0.0,0.0,0.0,0.0,2.97274971008301,3.0,544.039978027344,15.0978765487671,0.0226804614067078,1.64266431331635,0.0,0.0546201802790165,0.717959105968475,1.33633148670197,14.3246440887451,114.0,202.0,1.0,0.291257828474045,479.616424560547,0.0,520.124084472656,0.0,0.0,0.0,20.9801425933838,660.572082519531,0.825481832027435,14.9925518035889,558.152465820312,3.0,15.2093982696533,0.0,429.277130126953,0.0,0.0,2.0,0.0,0.0,3.0,7.57215070724487,4.05795669555664,0.414266437292099,2.38110160827637
InChI%3D1S%2FC8H11N%2Fc1-6-3-4-7%282%298%289%295-6%2Fh3-5H%2C9H2%2C1-2H3,2.36004233360291,0.0,0.0,0.666666686534882,0.0481125228106976,1.43473982810974,0.0,0.0,0.759900152683258,0.524786233901978,0.0,0.148059085011482,0.0,0.0138888889923692,0.0,0.0,0.0,0.0,2.0,0.0171017944812775,3.0,7.11111116409302,-0.00756432581692934,4.16992521286011,0.200000002980232,42.0,1.47827804088593,2.72222232818604,0.000468422949779779,0.400000005960464,2.44948983192444,10.0,1.55802857875824,1.70414197444916,0.00116423820145428,2.80396580696106,2.07593297958374,-0.0036170668900013,0.0,0.0,0.602670907974243,0.524786233901978,0.0,0.0,0.638621687889099,0.0,0.0,26.0200004577637,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,6.85337114334106,0.0,0.0,0.760079681873322,4.19837713241577,0.0,0.0,0.0680413842201233,1.65096366405487,0.0,3.87279200553894,0.0,0.20412415266037,5.85380077362061,0.16666667163372,0.0,2.86036610603333,0.0,0.0,0.0,0.0,1.81676292419434,0.0,328.010009765625,9.35998821258545,0.0240562614053488,1.33160018920898,0.0,0.0620014108717442,0.519634425640106,0.504473328590393,9.16618537902832,67.0,84.0,0.0,0.0680413842201233,475.755249023438,0.0,513.632202148438,0.0,0.0,0.0,12.3323707580566,646.986633300781,0.0,10.498556137085,496.295166015625,0.0,4.33237028121948,0.0,175.91911315918,4.0,0.0,0.0,1.0,0.0,2.0,5.80940103530884,3.02670907974243,0.394337564706802,1.65096366405487
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InChI%3D1S%2FC5H12N2O4%2Fc8-2-1-7%286-11%293-5%2810%294-9%2Fh5%2C8-10H%2C1-4H2,2.05428457260132,0.0,0.0,0.75,0.0,1.10583126544952,,0.0,0.581884324550629,0.269578874111176,0.0,0.0865333676338196,0.0,0.0129099441692233,0.0,0.0,4.0,0.0,4.0,0.345785915851593,0.0,11.0,-0.0820218622684479,4.45943164825439,0.0,42.0,0.921654641628265,6.69421482086182,-0.132803082466125,0.428571432828903,0.0,11.0,1.09341299533844,5.28925609588623,0.080247737467289,0.0,1.17466759681702,-0.0187280792742968,0.0,0.0,0.284740597009659,0.283994674682617,0.0,0.0,0.211227580904961,0.0,0.0,93.3600006103516,,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,8.69023418426514,0.0,0.0,0.492799282073975,5.23991203308105,0.0,0.0,0.0,2.40685200691223,0.0,3.8120710849762,0.0,0.0,2.14913988113403,0.0,0.0,2.70689940452576,,0.0,0.0,0.0,1.63259243965149,0.0,374.059997558594,14.8178520202637,0.0,1.04337978363037,0.0,0.0,0.541628777980804,0.402368932962418,12.2421007156372,105.0,176.0,1.0,0.0833333358168602,366.863006591797,0.0,375.336242675781,1.16253924369812,0.0,1.0,13.5465745925903,406.310699462891,0.0,14.3762331008911,362.278961181641,1.0,13.1549510955811,3.0,290.172515869141,0.0,0.0,1.0,0.0,0.0,0.0,6.05009365081787,3.22218060493469,0.229099437594414,0.0
InChI%3D1S%2FC6H10N2O%2Fc1-3-5-8%287-9%296-4-2%2Fh3-4H%2C1-2%2C5-6H2,1.53059780597687,0.0,0.0,1.0,0.0,0.795167148113251,,0.0,0.439246505498886,0.152549713850021,0.0,0.0372678004205227,0.0,0.0,0.0,2.0,2.0,0.0,2.0,0.0672189965844154,0.0,9.0,-0.0429956614971161,4.16992521286011,0.16666667163372,32.0,0.492799282073975,6.125,0.0416407063603401,0.5,3.18108296394348,8.0,0.679412364959717,4.5,-0.0338809154927731,0.0,0.492799282073975,0.000680255121551454,0.0,0.0,0.156294882297516,0.162123441696167,0.0,0.0,0.0804737880825996,0.0,0.0,32.6699981689453,,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,7.11288404464722,0.0,0.0,0.20412415266037,4.34606504440308,0.0,0.0,0.0,2.94168281555176,0.0,2.85162401199341,0.0,0.0,0.0,0.0,0.0,1.9711971282959,,0.0,0.0,0.0,1.3690824508667,0.0,252.029998779297,10.4944448471069,0.0,0.696923434734344,2.0,0.0,0.813224375247955,0.144337564706802,9.24582481384277,70.0,102.0,1.0,0.0,344.421539306641,0.0,334.064422607422,0.0,0.0,1.0,9.21820735931396,333.302703857422,0.0,9.32892513275146,293.166076660156,0.0,7.99655437469482,0.0,216.948318481445,2.0,0.0,0.0,0.0,0.0,0.0,5.28580331802368,2.64802289009094,0.100000001490116,0.0
InChI%3D1S%2FC11H9BrO4%2Fc1-16-8-4-2-7%283-5-8%2911%2815%299%2812%296-10%2813%2914%2Fh2-6H%2C1H3%2C%28H%2C13%2C14%29,3.74247550964355,0.0,0.0,1.0,0.0748741030693054,2.40836000442505,0.0,0.0,1.47898554801941,0.741328060626984,0.0,0.363948464393616,0.0,0.215779185295105,0.0,1.0,0.0,0.0,0.0,0.501053929328918,2.0,14.0625,-0.214857488870621,5.0,0.0,74.0,2.33566164970398,6.66666650772095,-0.00435157911852002,0.5,1.22089838981628,21.0,3.09955525398254,4.42361116409302,0.0099865747615695,0.962657153606415,3.64803600311279,-0.125790327787399,0.0,0.0,0.932685673236847,1.08678328990936,0.0,3.0,1.02071511745453,0.0,0.0,63.5999984741211,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,12.1293916702271,0.0,0.0,1.20719146728516,7.54091262817383,0.0,0.0,0.0833333358168602,3.83851957321167,0.0,6.65500354766846,0.0,0.107038088142872,10.4897899627686,0.232307806611061,0.0,4.95308971405029,0.0,0.0,0.0,0.0,3.54509949684143,1.0,385.049987792969,62.3559684753418,0.0277777779847383,2.34703993797302,1.0,0.0252291187644005,0.87475323677063,1.4365941286087,23.3131351470947,236.0,479.0,2.0,0.955023646354675,940.775756835938,0.0,1042.34143066406,0.814325273036957,0.0,0.0,35.0723724365234,1326.396484375,0.381571412086487,42.4919700622559,1277.05493164062,0.0,47.0218544006348,1.0,1006.46496582031,8.0,0.0,0.0,0.0,0.0,1.0,10.0226707458496,5.12492561340332,0.538583755493164,3.71151256561279
InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2,1.0765768289566,0.0,0.0,1.0,0.0,0.534522473812103,0.0,0.0,0.303045749664307,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,1.0,0.0772592276334763,0.0,5.0,-0.0332078598439693,3.32192802429199,0.0,14.0,0.0,4.0,0.0113530382514,0.5,0.0,2.0,0.0,4.0,-0.0365978591144085,0.0,0.0,0.0198230687528849,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.12132024765015,0.0,0.0,0.0,2.41421365737915,0.0,0.0,0.0,2.38110160827637,0.0,1.35355341434479,0.0,0.0,0.0,0.0,0.0,0.70710676908493,2.0,0.0,0.0,0.0,0.353553384542465,0.0,44.0200004577637,20.4255065917969,0.0,0.0,2.0,0.0,0.922108352184296,0.0,7.90347480773926,24.0,20.0,0.0,0.0,206.063125610352,0.0,174.897933959961,0.0,0.0,0.0,6.90347480773926,125.042137145996,0.0,5.90347480773926,74.689338684082,0.0,8.71275329589844,0.0,28.1061096191406,1.0,0.0,0.0,0.0,0.0,0.0,4.12959432601929,2.19801902770996,0.0,0.0
InChI%3D1S%2FC3H8N2O2%2Fc1-5%284-7%292-3-6%2Fh6H%2C2-3H2%2C1H3,1.18651235103607,0.0,0.0,0.666666686534882,0.0,0.562991499900818,0.0,0.0,0.185546189546585,0.0182574186474085,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.158046767115593,0.0,7.0,-0.059879194945097,3.80735492706299,0.0,24.0,0.492799282073975,4.16666650772095,-0.0158050321042538,0.400000005960464,0.816496610641479,5.0,0.40824830532074,3.83999991416931,0.0271127112209797,0.0,0.20412415266037,-0.0589582063257694,0.0,0.0,0.157735019922256,0.085546188056469,0.0,0.0,0.0182574186474085,0.0,0.0,52.9000015258789,,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,5.69867038726807,0.0,0.0,0.288675129413605,3.30806040763855,0.0,0.0,0.0,1.0,0.0,2.30209517478943,0.0,0.0,0.0,0.0,0.0,1.47839784622192,0.0,0.0,0.0,0.0,0.696923434734344,0.0,154.039993286133,9.26891422271729,0.0,0.20412415266037,0.0,0.0,0.536264002323151,0.0,7.57791662216187,45.0,50.0,1.0,0.0,181.283050537109,0.0,171.201019287109,0.200000002980232,0.0,1.0,7.38411378860474,163.016357421875,0.0,6.38383531570435,112.257606506348,0.0,4.21764993667603,1.0,54.1669654846191,0.0,0.0,0.0,0.0,0.0,1.0,4.16410255432129,1.96224331855774,0.141421362757683,0.0
InChI%3D1S%2FC4H7Cl2O4P%2Fc1-8-11%287%2C9-2%2910-3-4%285%296%2Fh3H%2C1-2H3,2.79270768165588,0.0186432246118784,0.0,1.0,0.0,1.21125984191895,0.0,0.0,0.517270445823669,0.284269422292709,0.0,0.146458253264427,1.5,0.0,0.0,2.0,0.0,0.0,0.0,0.62253075838089,0.0,11.0,-0.606948912143707,4.45943164825439,0.25,46.0,2.12078189849854,4.79289960861206,0.545852959156036,0.5,0.5,12.0,1.92951393127441,4.44444465637207,-0.253500878810883,0.400000005960464,1.3216780424118,-0.153742998838425,0.0,0.0,0.504617691040039,0.386088639497757,0.0,1.0,0.272350877523422,0.0,0.0,54.5699996948242,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.90577697753906,0.0,0.0,1.33502495288849,5.03782272338867,0.0,0.0,0.0,0.0,0.176776692271233,4.45028877258301,0.0,0.0,1.0,0.0,0.0,3.03234791755676,2.0,0.0,0.0,0.0,1.24069023132324,3.0,179.070007324219,35.1737976074219,0.0,0.901047587394714,1.0,0.0,0.649633347988129,0.40824830532074,24.6407566070557,94.0,168.0,1.0,0.0,341.682891845703,0.0,340.519897460938,0.0,0.0,0.0,34.3316535949707,375.244720458984,1.5,22.4316387176514,310.168304443359,0.0,22.2203903198242,0.0,243.106704711914,0.0,0.0,0.0,0.0,0.0,2.0,7.6492862701416,3.57076072692871,0.553819298744202,0.0
InChI%3D1S%2FC5H10N2O3%2Fc8-4-3-6-2-1-5%289%297-10%2Fh6%2C8H%2C1-4H2,1.70863246917725,0.0,0.0,1.0,0.0,0.906039774417877,0.0,0.0,0.445021569728851,0.216836333274841,0.0,0.0975546464323997,0.0,0.0353217720985413,0.0,1.0,4.0,0.0,3.0,0.35296893119812,0.0,10.0,-0.100357033312321,4.32192802429199,0.0,36.0,0.492799282073975,7.11111116409302,-0.127072513103485,0.5,0.0,8.0,0.348461717367172,7.0,0.0137762976810336,0.0,0.246399641036987,0.0797282829880714,0.0,0.0,0.0719958618283272,0.0414556711912155,0.0,1.0,0.0254543796181679,0.0,0.0,78.7600021362305,0.0,0.0,0.25,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,7.81999111175537,0.0,0.0,0.288675129413605,4.80806064605713,0.0,0.0,0.0,2.94168281555176,0.0,3.3627552986145,0.0,0.0,1.59054148197174,0.0,1.0,2.24740028381348,0.0,0.0,0.0,0.0,1.12370014190674,0.0,271.049987792969,13.0433835983276,0.0,0.669575989246368,0.0,0.0,0.642078459262848,0.378354996442795,10.7162055969238,109.0,153.0,2.0,0.246399641036987,301.804840087891,0.0,293.374176025391,0.543690204620361,0.0,0.0,11.0482978820801,282.123168945312,0.0,10.3244895935059,235.188873291016,0.0,7.57763814926147,1.0,177.470901489258,0.0,0.0,1.0,0.0,0.0,0.0,5.53935098648071,2.98719310760498,0.0645497217774391,0.0
InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2,0.909137308597565,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.104592353105545,0.0,3.0,-0.0697282329201698,2.58496260643005,0.0,6.0,0.0,2.0,0.0174320582300425,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.70710682868958,0.0,0.0,0.0,1.41421353816986,0.0,0.0,0.0,0.0,0.0,0.70710676908493,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,10.0200004577637,18.4255065917969,0.0,0.0,0.0,0.0,0.617250561714172,0.0,5.90347480773926,6.0,4.0,0.0,0.0,91.8749542236328,0.0,64.7898406982422,0.0,0.0,0.0,8.71275329589844,24.6561908721924,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.97489356994629,1.60356748104095,0.0,0.0
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%29,3.26790857315063,0.0,0.0,1.0,0.0456435456871986,1.75364923477173,0.0,0.0,0.89448881149292,0.660433828830719,0.0,0.272253513336182,0.0,0.112152680754662,0.0,0.0,0.0,0.0,0.0,0.261200189590454,2.0,11.0769233703613,-0.227284252643585,4.70043992996216,0.5,60.0,1.99129748344421,5.02422142028809,0.191924899816513,0.5,1.46059346199036,15.0,1.60202610492706,3.70370364189148,-0.0961920469999313,1.56827390193939,2.31512570381165,-0.00862500723451376,0.0,0.0,0.673308968544006,0.459647655487061,0.0,1.0,0.55603301525116,0.0,0.0,32.3400001525879,0.0,0.0,0.0,0.0,0.5,0.0,0.0,0.0,0.0,4.0,0.0,9.84493541717529,0.0,0.0,1.0618349313736,6.09222412109375,0.0,0.0,0.0833333358168602,3.30192732810974,0.0,5.5829005241394,0.0,0.142258897423744,6.29469060897827,0.235702261328697,1.0,3.97861790657043,1.0,0.0,0.0,0.0,2.36276650428772,0.0,420.040008544922,22.2071990966797,0.0277777779847383,2.03083920478821,0.0,0.0453859269618988,0.77652508020401,1.00364136695862,16.1147556304932,157.0,268.0,1.0,0.59160703420639,706.278747558594,0.0,765.173095703125,0.0,0.0,1.0,22.7027645111084,946.469360351562,0.0,20.730676651001,801.541137695312,0.0,13.1144771575928,0.0,540.240295410156,6.0,0.0,0.0,0.0,0.0,2.0,8.29875659942627,4.21047210693359,0.541565895080566,0.965489387512207
InChI%3D1S%2FC4H5N3O3%2Fc8-3-1-2-7%286-10%294%289%295-3%2Fh1-2H2%2C%28H%2C5%2C8%2C9%29,1.76539707183838,0.0,0.0,1.0,0.0129099441692233,1.09128057956696,0.0,0.0,0.601315200328827,0.336528807878494,0.0,0.104134857654572,0.0,0.0136930635198951,0.0,1.0,2.0,0.0,1.0,0.327274858951569,0.0,8.10000038146973,-0.223497062921524,4.32192802429199,0.0,46.0,1.40924251079559,3.40828394889832,0.220686107873917,0.5,0.0,12.0,1.94750583171844,1.99111115932465,-0.232845887541771,0.0,2.06838130950928,0.0812979564070702,0.0,0.0,0.292250484228134,0.281288683414459,0.0,2.0,0.250691950321198,0.0,0.0,82.3300018310547,,0.0,0.333333343267441,0.0,1.41421353816986,0.0,2.0,0.0,0.0,0.0,0.0,7.56047773361206,0.0,0.0,0.6910440325737,4.73638200759888,0.0,0.0,0.0680413842201233,1.0,0.0,4.06383609771729,0.0,0.184195280075073,2.14913988113403,0.117851130664349,0.0,3.13352584838867,0.0,0.0,0.0,0.0,2.33458280563354,0.0,135.059997558594,13.4033708572388,0.025000000372529,1.39430165290833,0.0,0.032566886395216,0.67252790927887,0.830066502094269,12.2423791885376,84.0,116.0,2.0,0.144337564706802,350.185882568359,0.0,385.669128417969,0.655185341835022,0.0,1.0,16.5706844329834,484.277954101562,0.0,15.40456199646,388.949584960938,0.0,10.4862394332886,1.0,171.336288452148,0.0,0.0,1.0,0.0,0.0,0.0,5.01956462860107,2.65090656280518,0.182246178388596,0.5
InChI%3D1S%2FC4H10N2O2%2Fc1-4%287%293-6%282%295-8%2Fh4%2C7H%2C3H2%2C1-2H3,1.77089428901672,0.0,0.0,0.666666686534882,0.0,0.667832374572754,0.0,0.0,0.41572168469429,0.048240453004837,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,2.0,0.148202463984489,0.0,8.0,-0.0514361634850502,4.0,0.25,30.0,0.6910440325737,3.9375,-0.0150112127885222,0.400000005960464,1.0,6.0,0.902368903160095,5.0,0.0180034972727299,1.15470051765442,0.666666686534882,-0.0496573746204376,0.0,0.0,0.221034348011017,0.269662320613861,0.0,0.0,0.0996624082326889,0.0,0.0,52.9000015258789,,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,6.56891393661499,0.0,0.0,0.696923434734344,3.66390252113342,0.0,0.0,0.0,0.0,0.0,3.14296913146973,0.0,0.0,1.0,0.0,0.0,1.57069683074951,0.0,0.0,0.0,0.0,0.971404492855072,0.0,233.039993286133,10.2689142227173,0.0,0.333333343267441,0.0,0.0,0.633609354496002,0.0,8.57791614532471,54.0,71.0,1.0,0.0,245.543685913086,0.0,239.752548217773,0.200000002980232,0.0,1.0,9.71620559692383,251.288970947266,0.0,7.55002069473267,170.74543762207,1.0,6.38383531570435,1.0,119.114356994629,0.0,0.0,1.0,0.0,0.0,2.0,5.03434610366821,2.38981294631958,0.323995530605316,0.0
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%2C1-2H3,4.17943716049194,0.0,0.0,0.857142865657806,0.0582068078219891,3.02496814727783,0.0,0.0,1.99745404720306,1.32508969306946,0.0,0.720633685588837,0.142857149243355,0.410250902175903,0.0,0.0,0.0,0.0,0.0,0.773589551448822,6.0,18.3402652740479,-0.5117227435112,5.45943164825439,0.111111111938953,106.0,2.83955383300781,9.33333301544189,0.0887652561068535,0.461538463830948,2.94648861885071,34.0,4.52105855941772,4.75,0.190553590655327,2.7623987197876,6.01738595962524,-0.331035315990448,0.0,0.0,0.935856699943542,1.18002331256866,0.0,0.0,1.25627017021179,0.0,0.0,77.3199996948242,0.0,2.0,0.111111111938953,0.0,0.0,0.0,2.0,0.0,0.0,6.0,0.0,15.9493827819824,0.0,0.0,1.0,10.72740650177,0.0,0.0,0.136082768440247,7.4118709564209,0.0,8.58043003082275,0.0,0.271017521619797,16.784143447876,0.25,0.0,7.39518117904663,0.0,0.0,0.0,0.0,6.08401489257812,2.0,763.059997558594,25.8178520202637,0.0481125228106976,4.89532232284546,0.0,0.0652146935462952,0.786442160606384,3.27899479866028,25.6572933197021,436.0,1119.0,2.0,2.2660276889801,1240.69995117188,0.0,1438.11962890625,0.0769230797886848,0.0,0.0,33.100040435791,1963.3369140625,0.565685451030731,37.7642250061035,2071.6337890625,0.0,35.9856605529785,0.0,1742.03283691406,10.0,0.0,0.0,0.0,0.0,2.0,11.9915218353271,6.25348806381226,0.413617253303528,5.26933193206787
InChI%3D1S%2FC8H12F6N2O%2Fc9-7%2810%2C11%293-1-5-16%2815-17%296-2-4-8%2812%2C13%2914%2Fh1-6H2,3.47277474403381,0.0381801761686802,0.0,1.0,0.0,1.86842572689056,0.0,0.0,1.11748695373535,0.577647268772125,0.0,0.370777666568756,0.0,0.178276523947716,0.0,0.0,6.0,0.0,4.0,0.571073532104492,0.0,17.0,-0.34615957736969,5.08746290206909,0.0,76.0,1.99279928207397,7.43801641464233,0.136004030704498,0.5,0.0,16.0,2.15552163124084,12.25,0.00148752145469189,0.0,1.41644966602325,-0.1936144977808,0.0,0.0,0.396531909704208,0.386255383491516,0.125,0.0,0.248388692736626,0.0,0.0,32.6699981689453,,0.0,0.0,2.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,13.5270977020264,0.0,0.0,3.32544445991516,7.63895845413208,0.0,0.0,0.0,6.12046384811401,0.70710676908493,8.18005084991455,0.0,0.0,0.0,0.0,0.0,3.65564846992493,0.0,0.0,3.65134453773499,0.0,2.39472055435181,0.0,512.090026855469,27.5067100524902,0.0,1.39384686946869,0.0,0.0,0.69346559047699,1.18459379673004,20.736536026001,250.0,638.0,1.0,0.811367690563202,496.886291503906,6.0,522.906555175781,0.0,0.0,1.0,35.7211837768555,610.826477050781,0.0,20.8196353912354,533.881530761719,0.0,19.8196353912354,0.0,474.558898925781,0.0,0.0,4.0,0.0,0.0,0.0,8.81310272216797,4.85602998733521,0.457040697336197,0.0
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%2C1H3,5.66599464416504,0.0,0.0,0.666666686534882,0.10667135566473,4.06157636642456,0.0,0.0,2.87698173522949,2.0102436542511,0.0,1.13316130638123,0.0,0.694051146507263,0.0,2.0,3.0,0.0,1.0,0.333959251642227,2.0,17.8111991882324,-0.116292379796505,5.52356195449829,0.0,118.0,3.24205446243286,8.39273357391357,-0.0413804799318314,0.400000005960464,2.13182950019836,37.0,6.18063640594482,3.81944441795349,-0.0513858273625374,0.913967549800873,9.50682735443115,0.0550832636654377,0.0,0.0,1.10123932361603,1.6854362487793,0.0,2.0,2.15956854820251,0.0,0.0,40.6199989318848,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,10.0,0.0,16.2338409423828,0.0,0.0641500279307365,1.07653844356537,11.236382484436,0.0,0.0,0.451859205961227,17.9505424499512,0.0,9.47519779205322,0.0,0.63146436214447,18.2539119720459,0.433583050966263,0.0,8.28871440887451,0.0,0.0288675129413605,0.0,0.0,7.2416205406189,0.0,1519.0400390625,25.268913269043,0.137000188231468,5.93089008331299,0.0,0.149133294820786,0.812414109706879,3.83419013023376,26.6889133453369,380.0,1109.0,2.0,2.73833060264587,1599.06652832031,0.0,1895.3642578125,0.25,0.0,2.0,37.4329681396484,2687.67358398438,0.0,41.7613372802734,2815.28833007812,1.0,42.7606887817383,0.0,2709.72338867188,12.0,1.0,3.0,0.0,0.0,1.0,13.1830968856812,8.01674842834473,0.456542521715164,4.68954133987427
InChI%3D1S%2FC4H9NO2%2Fc1-3-4%282%295%286%297%2Fh4H%2C3H2%2C1-2H3,1.54262375831604,0.0,0.0,1.0,0.0304290316998959,0.950712203979492,0.0,0.0,0.149071201682091,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,2.0,0.0654371082782745,0.0,7.0,0.00733331497758627,3.80735492706299,0.333333343267441,26.0,1.27614235877991,3.06122446060181,-0.0232067629694939,0.5,1.41421353816986,6.0,0.70710676908493,2.66666674613953,-0.0162322614341974,1.41421353816986,0.235702261328697,-0.000612844189163297,0.0,0.0,0.40510755777359,0.179500222206116,0.0,0.0,0.0304290316998959,0.0,0.0,34.1399993896484,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,5.86180734634399,0.0,0.0,0.569035589694977,3.18073916435242,0.0,0.0,0.0,0.0,0.0,2.62954902648926,0.0,0.0,1.0,0.235702261328697,0.0,1.78202176094055,0.0,0.0,0.0,0.0,0.471404522657394,0.0,183.029998779297,8.90892601013184,0.0,0.0,0.0,0.0,0.594000339508057,0.0,7.27311706542969,36.0,46.0,2.0,0.0,190.334350585938,0.0,181.968902587891,0.5,0.0,0.0,8.77102375030518,185.762710571289,0.0,7.49455308914185,131.272186279297,1.0,2.66418385505676,0.0,33.8701324462891,0.0,0.0,2.0,0.0,0.0,2.0,4.54816722869873,2.31605267524719,0.225607335567474,0.0
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