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

SMILES,WD.unity,Weta3.unity,BCUTw-1h,Weta2.unity,BCUTp-1l,BCUTw-1l,BCUTc-1h,WA.unity,Wnu1.unity,Wlambda3.unity,Wlambda1.unity,WK.unity,Weta1.unity,Wnu2.unity,Wlambda2.unity,WV.unity,WT.unity,BCUTp-1h,BCUTc-1l
InChI%3D1S%2FC4H5Cl%2Fc1-3-4%282%295%2Fh3H%2C1-2H2,1.49600601196289,0.564682185649872,34.9693794250488,0.491840690374374,5.42349481582642,11.9985990524292,0.114273779094219,3.24799466133118,2.37700032812427e-06,2.47839403152466,9.00624763744418e-06,0.240588054060936,0.439483106136322,0.345880210399628,1.31051015853882,7.03693723678589,3.78891324996948,7.92974948883057,-0.180390506982803
InChI%3D1S%2FC3H5Br2Cl%2Fc4-1-3%285%292-6%2Fh3H%2C1-2H2,1.26345813274384,0.597515940666199,78.91943359375,0.30103462934494,6.09799766540527,11.9988794326782,0.102133847773075,4.16342067718506,0.189911350607872,1.92894554138184,0.702421009540558,0.141142189502716,0.364907532930374,0.28856572508812,1.06731176376343,9.30823421478271,3.69867849349976,10.7745018005371,-0.191176891326904
InChI%3D1S%2FC11H11N5%2Fc1-6-5-13-7-3-4-8-10%289%287%2914-6%2915-11%2812%2916%288%292%2Fh3-5H%2C1-2H3%2C%28H2%2C12%2C15%29,1.1385064125061,0.568464636802673,14.0147838592529,0.443494558334351,5.75795888900757,11.9884147644043,0.164086848497391,29.6664772033691,0.0121193956583738,9.37325763702393,0.151375785470009,0.312828868627548,0.126547232270241,0.23744210600853,2.96574068069458,46.3648948669434,12.4903745651245,10.1326465606689,-0.302408397197723
InChI%3D1S%2FC11H14O2%2Fc1-4-5-9-6-7-10%2812-2%2911%288-9%2913-3%2Fh4%2C6-8H%2C1%2C5H2%2C2-3H3,1.2934387922287,0.490980207920074,15.9982604980469,0.497595012187958,4.86938667297363,11.9962329864502,0.106572493910789,33.2080421447754,0.0458968318998814,7.20497179031372,0.529409468173981,0.218473002314568,0.304863542318344,0.32947251200676,3.80038976669312,59.2389450073242,11.5347709655762,8.94060325622559,-0.374986231327057
InChI%3D1S%2FC3H6ClNO%2Fc1-5%282%293%284%296%2Fh1-2H3,1.32979953289032,0.536912858486176,34.9693794250488,0.479467421770096,4.38074636459351,11.9986352920532,0.355639487504959,3.96219396591187,0.0720343962311745,1.90145838260651,0.270793050527573,0.12935908138752,0.313419163227081,0.422153502702713,1.58696734905243,8.53854465484619,3.75921869277954,7.16250705718994,-0.253766924142838
InChI%3D1S%2FC6H7N3O%2Fc7-9-6%2810%295-2-1-3-8-4-5%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29,1.64945387840271,0.569279193878174,15.9949178695679,0.602227687835693,4.72432136535645,11.9885530471802,0.186541929841042,11.2006101608276,0.0987379997968674,4.58583879470825,0.67162162065506,0.255637973546982,0.47794696688652,0.227078020572662,1.54459798336029,22.7599506378174,6.80205821990967,8.41463088989258,-0.343439698219299
InChI%3D1S%2FC13H14N2%2Fc14-12-5-1-10%282-6-12%299-11-3-7-13%2815%298-4-11%2Fh1-8H%2C9%2C14-15H2,1.43611824512482,0.536211013793945,14.0040874481201,0.503437697887421,5.58554124832153,11.8500003814697,0.0998508855700493,32.2319717407227,0.0958389565348625,9.76735210418701,1.23016929626465,0.320709735155106,0.396469533443451,0.143214747309685,1.83827543258667,67.1555633544922,12.8357973098755,9.25030708312988,-0.303443014621735
InChI%3D1S%2FC5H4O2%2Fc6-4-5-2-1-3-7-5%2Fh1-4H,1.29464304447174,0.594099104404449,16.0007247924805,0.388088941574097,3.51624727249146,11.9939661026001,0.203258097171783,45.6946144104004,0.0444229952991009,13.210901260376,0.734148383140564,0.349539399147034,0.312454968690872,0.156191140413284,2.58126378059387,87.255989074707,16.5263137817383,6.5589337348938,-0.39732152223587
InChI%3D1S%2FC14H13N3O3%2Fc1-20-13-8-10%282-3-12%2813%2918%299-16-17-14%2819%2911-4-6-15-7-5-11%2Fh2-9%2C16H%2C1H3%2C%28H%2C17%2C19%29,1.14429247379303,0.565868258476257,15.9969301223755,0.376023858785629,4.82495021820068,11.8500003814697,0.244852110743523,66.2283172607422,0.0954739078879356,12.0054779052734,1.62855362892151,0.277865558862686,0.20240031182766,0.200705349445343,3.42354726791382,150.221603393555,17.0575790405273,9.70279121398926,-0.34479957818985
InChI%3D1S%2FC13H18Cl2N2O2%2Fc14-5-7-17%288-6-15%2911-3-1-10%282-4-11%299-12%2816%2913%2818%2919%2Fh1-4%2C12H%2C5-9%2C16H2%2C%28H%2C18%2C19%29,1.65068221092224,0.653489887714386,34.9698524475098,0.525779008865356,4.10146331787109,11.9962062835693,0.295597225427628,42.0495452880859,0.085552304983139,10.4925174713135,1.2157154083252,0.303784430027008,0.471413344144821,0.17606845498085,2.50196838378906,88.1746444702148,14.2102012634277,10.3184604644775,-0.349701702594757
InChI%3D1S%2FC24H38O4%2Fc1-5-9-13-19%287-3%2917-27-23%2825%2921-15-11-12-16-22%2821%2924%2826%2928-18-20%288-4%2914-10-6-2%2Fh11-12%2C15-16%2C19-20H%2C5-10%2C13-14%2C17-18H2%2C1-4H3,1.23250019550323,0.491526246070862,15.9979391098022,0.344944834709167,5.07698106765747,11.8900003433228,0.295188248157501,151.382095336914,0.0965305864810944,13.9315967559814,2.27725410461426,0.192910149693489,0.396029114723206,0.312922537326813,7.3821587562561,409.177917480469,23.5910091400146,9.83025169372559,-0.312484472990036
InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H,1.6898672580719,0.588107526302338,15.9974174499512,0.738164603710175,5.1578631401062,11.9969358444214,0.0796170309185982,2.80829906463623,0.0915016606450081,1.64504504203796,0.28740856051445,0.142797142267227,0.363595128059387,0.384768813848495,1.20856666564941,6.52072954177856,3.14102029800415,5.96626329421997,-0.376168370246887
InChI%3D1S%2FC20H12%2Fc1-2-7-17-15%284-1%2912-16-9-8-13-5-3-6-14-10-11-18%2817%2920%2816%2919%2813%2914%2Fh1-12H,1.51783514022827,0.514216661453247,12.1502704620361,0.511212944984436,7.21006488800049,11.8500003814697,0.148047715425491,37.4961776733398,1.43581369016488e-08,9.85214996337891,1.96103982830209e-07,0.291008353233337,0.492405474185944,0.278655499219894,3.80588746070862,51.154224395752,13.6580381393433,11.6682014465332,-0.152164399623871
InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H,1.68860602378845,0.570145785808563,14.0030765533447,0.588789463043213,5.71635961532593,11.8500003814697,0.145878687500954,3.50197982788086,3.66515734429029e-10,2.14247751235962,1.38433886576195e-09,0.175429627299309,0.529670774936676,0.432760506868362,1.63454687595367,7.27900409698486,3.777024269104,6.16526651382446,-0.264029264450073
InChI%3D1S%2FC8H11N%2Fc1-6-3-4-7%282%298%289%295-6%2Fh3-5H%2C9H2%2C1-2H3,1.23585772514343,0.564617574214935,14.0030784606934,0.458168506622314,5.87873315811157,11.8500003814697,0.139932289719582,11.8908643722534,0.022428972646594,5.02514362335205,0.164218932390213,0.264749437570572,0.213071659207344,0.291238456964493,2.13236999511719,20.9722785949707,7.32173252105713,8.31507873535156,-0.302245378494263
InChI%3D1S%2FC18H22ClNO%2Fc1-16%2815-21-18-10-6-3-7-11-18%2920%2813-12-19%2914-17-8-4-2-5-9-17%2Fh2-11%2C16H%2C12-15H2%2C1H3,1.22478902339935,0.508197367191315,34.9688529968262,0.466223210096359,5.62158155441284,11.8500003814697,0.0910941958427429,64.9226684570312,0.0772893205285072,11.2480058670044,1.27998769283295,0.259390085935593,0.250368446111679,0.24352391064167,4.03299713134766,139.547973632812,16.5609912872314,10.4890012741089,-0.343921095132828
InChI%3D1S%2FC24H29ClO4%2Fc1-12%2826%2924%2829-13%282%2927%298-6-16-14-10-20%2825%2919-11-21%2828%2915-9-18%2815%2923%2819%2C4%2917%2814%295-7-22%2816%2C24%293%2Fh10-11%2C14-18H%2C5-9H2%2C1-4H3,1.36685180664062,0.500223398208618,34.9688529968262,0.416097581386566,4.42728090286255,11.9883785247803,0.259187608957291,63.3275718688965,0.097304031252861,11.401951789856,1.60251033306122,0.269242763519287,0.450530827045441,0.210372298955917,3.46464347839355,143.101760864258,16.4691047668457,13.5527124404907,-0.377861171960831
InChI%3D1S%2FC7H16O2%2Fc1-6%288%295-9-7%282%2C3%294%2Fh6%2C8H%2C5H2%2C1-4H3,1.63758838176727,0.609122812747955,15.9959182739258,0.576900899410248,4.46358871459961,11.8900003433228,0.132441684603691,12.1876707077026,0.174511134624481,4.1205677986145,1.16628074645996,0.212421864271164,0.451564759016037,0.208926379680634,1.39628219604492,25.5809688568115,6.68313074111938,8.01995182037354,-0.390487909317017
InChI%3D1S%2FC2H3ClO%2Fc3-1-2-4%2Fh2H%2C1H2,1.53510844707489,0.635471999645233,34.9693794250488,0.613921344280243,3.33474826812744,11.998706817627,0.143939793109894,1.40379309654236,0.0994905307888985,1.32866871356964,0.225315093994141,0.190016999840736,0.285715103149414,0.313820123672485,0.710704922676086,3.88124489784241,2.26468873023987,5.98385858535767,-0.300961822271347
InChI%3D1S%2FC2HCl5%2Fc3-1%284%292%285%2C6%297%2Fh1H,1.64507687091827,0.794598340988159,34.9729766845703,0.499993413686752,7.06024980545044,11.998706817627,0.334519654512405,3.90565347671509,0.225362211465836,1.67345571517944,0.791490197181702,0.107364192605019,0.350485026836395,0.298152178525925,1.04713439941406,8.80468845367432,3.5120804309845,11.6964206695557,-0.139938309788704
InChI%3D1S%2FC16H19ClN4O2S%2Fc1-10-4-3-5-12%2811%2810%292%2919-14-8-13%2817%2920-16%2821-14%2924-9-15%2823%2918-6-7-22%2Fh3-5%2C8%2C22H%2C6-7%2C9H2%2C1-2H3%2C%28H%2C18%2C23%29%28H%2C19%2C20%2C21%29,1.39996600151062,0.364579409360886,34.9688529968262,0.569761514663696,3.98049855232239,11.8900003433228,0.145626917481422,98.0612411499023,0.122789181768894,16.0456008911133,2.66037535667419,0.305436551570892,0.465625137090683,0.136628746986389,2.96022605895996,246.091567993164,21.666202545166,11.7244691848755,-0.393923997879028
InChI%3D1S%2FC2H6N2O%2Fc1-2%285%294-3%2Fh3H2%2C1H3%2C%28H%2C4%2C5%29,1.30073082447052,0.552440762519836,15.9949159622192,0.387323886156082,4.16948843002319,11.9989995956421,0.150434866547585,3.87216472625732,0.0686481148004532,2.28336262702942,0.263003945350647,0.196994781494141,0.360966205596924,0.335358858108521,1.28482341766357,8.47493457794189,3.83118987083435,5.71250486373901,-0.347354054450989
InChI%3D1S%2FC8H11N%2Fc1-6-3-4-8%289%297%282%295-6%2Fh3-5H%2C9H2%2C1-2H3,1.32659113407135,0.581451058387756,14.0030784606934,0.521638929843903,5.80014562606812,11.8500003814697,0.106735751032829,12.2074565887451,0.0227389130741358,4.7237720489502,0.164326831698418,0.240243002772331,0.223501101136208,0.323603749275208,2.33858060836792,21.2494411468506,7.22667980194092,8.3963794708252,-0.302252292633057
InChI%3D1S%2FC39H59Cl2NO2%2Fc1-27%282%297-6-8-28%283%2934-15-16-35-33-14-11-30-26-32%2817-19-38%2830%2C4%2936%2833%2918-20-39%2834%2C35%295%2944-37%2843%2925-29-9-12-31%2813-10-29%2942%2823-21-40%2924-22-41%2Fh9-13%2C27-28%2C32-36H%2C6-8%2C14-26H2%2C1-5H3,1.01930689811707,0.535067796707153,34.969856262207,0.0706957206130028,4.8863673210144,11.8999996185303,0.262490808963776,388.804626464844,0.0588993579149246,42.0162925720215,2.99523830413818,0.36966672539711,0.413543432950974,0.114878341555595,5.84196519851685,1174.86254882812,50.8534965515137,12.7248973846436,-0.312112808227539
InChI%3D1S%2FC10H12O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh4-6H%2C2-3%2C7H2%2C1H3,1.29945480823517,0.545427918434143,15.9959192276001,0.378811538219452,5.32294368743896,11.8500003814697,0.206126391887665,16.7238922119141,0.047282874584198,8.38893604278564,0.487006008625031,0.360854387283325,0.375215291976929,0.138244614005089,1.42389726638794,32.8410110473633,10.2998390197754,8.72925853729248,-0.316523253917694
InChI%3D1S%2FC14H7Br2NO2%2Fc15-8-5-9%2816%2912%2817%2911-10%288%2913%2818%296-3-1-2-4-7%286%2914%2811%2919%2Fh1-5H%2C17H2,1.32815802097321,0.538411974906921,78.91943359375,0.487208634614944,6.01527261734009,11.9988346099854,0.197130918502808,28.3415069580078,0.00434976303949952,8.414626121521,0.0511649735271931,0.286523729562759,0.302537381649017,0.280285269021988,3.29691243171692,41.5236434936523,11.7627038955688,12.0512847900391,-0.300641745328903
InChI%3D1S%2FC7H10N2O%2Fc1-10-7-3-2-5%288%294-6%287%299%2Fh2-4H%2C8-9H2%2C1H3,1.21956360340118,0.501868009567261,15.9949178695679,0.444974482059479,4.83090114593506,11.9935121536255,0.0930308029055595,13.1369867324829,0.0250570587813854,5.2124981880188,0.191691190004349,0.261016756296158,0.2727210521698,0.293587267398834,2.24599742889404,23.0313510894775,7.65018701553345,8.16068172454834,-0.347122937440872
InChI%3D1S%2FC7H7NO2%2Fc1-6-4-2-3-5-7%286%298%289%2910%2Fh2-5H%2C1H3,1.36935234069824,0.57525223493576,15.9959192276001,0.541675567626953,3.64778113365173,11.8900003433228,0.16107976436615,9.27855968475342,0.0284374412149191,3.33102130889893,0.170320570468903,0.167121008038521,0.252424567937851,0.415401220321655,2.48796558380127,16.6793937683105,5.98930740356445,8.05840015411377,-0.137175694108009
InChI%3D1S%2FC3H9O4P%2Fc1-5-8%284%2C6-2%297-3%2Fh1-3H3,1.33906686306,0.521971523761749,30.973762512207,0.495693743228912,2.68936967849731,11.9965486526489,0.453101277351379,12.5166578292847,0.0912294089794159,3.39871525764465,0.60367089509964,0.135221645236015,0.321401625871658,0.39514172077179,2.61467838287354,24.4982719421387,6.61706447601318,4.91875648498535,-0.319630563259125
InChI%3D1S%2FC6H13NO3S%2Fc8-11%289%2C10%297-6-4-2-1-3-5-6%2Fh6-7H%2C1-5H2%2C%28H%2C8%2C9%2C10%29,1.44776356220245,0.4576735496521,31.9720706939697,0.500444710254669,6.17334365844727,11.8999996185303,0.333608150482178,12.8903541564941,0.132010564208031,4.56613826751709,0.933115124702454,0.234488844871521,0.489645302295685,0.222004324197769,1.56923496723175,26.6449337005615,7.06848859786987,9.64963531494141,-0.273441910743713
InChI%3D1S%2FC8H12%2Fc1-2-8-6-4-3-5-7-8%2Fh2-4%2C8H%2C1%2C5-7H2,1.47282183170319,0.456669926643372,12.1001262664795,0.527070879936218,5.53627729415894,11.8999996185303,0.0464405082166195,8.73879051208496,0.173835843801498,2.66005539894104,0.927535593509674,0.123904503881931,0.489081025123596,0.327624827623367,1.74810719490051,18.3875865936279,5.33569812774658,8.69313049316406,-0.162179484963417
InChI%3D1S%2FC10Cl12%2Fc11-1-2%2812%297%2817%294%2814%293%2813%2C5%281%2C15%299%287%2C19%2920%296%281%2C16%2910%2821%2C22%298%282%2C4%2918,1.16488647460938,0.410146981477737,34.9799118041992,0.401100993156433,9.8203125,11.9985313415527,0.228884190320969,15.3651857376099,0.257887244224548,2.96153807640076,1.77192211151123,0.0732688307762146,0.353638529777527,0.311087638139725,2.13745760917664,33.4526596069336,6.87091779708862,17.4356994628906,-0.189675450325012
InChI%3D1S%2FC17H13N3O3%2Fc1-11-6-8-14%2815%2810-11%2920%2822%2923%2918-19-17-13-5-3-2-4-12%2813%297-9-16%2817%2921%2Fh2-10%2C18H%2C1H3,1.25995683670044,0.574514448642731,,0.472466140985489,,,,57.6737060546875,0.0159594789147377,14.6336717605591,0.295293778181076,0.343169718980789,0.212976232171059,0.193147554993629,3.57375550270081,91.6194534301758,18.502721786499,,
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,1.11453473567963,0.567221164703369,15.9959192276001,0.362199187278748,4.69335746765137,11.8500003814697,0.137440055608749,14.5089826583862,0.0488213524222374,7.69213247299194,0.463679254055023,0.357435494661331,0.185114443302155,0.141264677047729,1.34165680408478,28.7917156219482,9.49746894836426,8.32169437408447,-0.360501110553741
InChI%3D1S%2FC11H7N3O3%2Fc15-14%2816%2911-5-4-9%2817-11%298-7-12-10-3-1-2-6-13%288%2910%2Fh1-7H,1.44006025791168,0.560652852058411,15.9969272613525,0.505124449729919,3.42927932739258,11.9884147644043,0.27791365981102,24.5401973724365,3.85107523470651e-06,8.42258262634277,4.36565060226712e-05,0.30723649263382,0.374282985925674,0.257014155387878,2.91356039047241,35.8774528503418,11.3361864089966,9.62836265563965,-0.332781732082367
InChI%3D1S%2FC4H8N4O2%2Fc9-5-7-1-2-8%286-10%294-3-7%2Fh1-4H2,1.28232049942017,0.366837471723557,16.0168724060059,0.558651089668274,3.20574235916138,11.9989995956421,0.173813924193382,7.38011646270752,0.137588784098625,2.43845248222351,0.681448519229889,0.119254261255264,0.356831938028336,0.370072215795517,1.83289039134979,15.3785848617554,4.95279121398926,7.13404893875122,-0.275181621313095
InChI%3D1S%2FC10H9Cl4NO2S%2Fc11-9%2812%2910%2813%2C14%2918-15-7%2816%295-3-1-2-4-6%285%298%2815%2917%2Fh1-2%2C5-6%2C9H%2C3-4H2,1.46638917922974,0.48735323548317,34.9720077514648,0.485801875591278,6.02031230926514,11.9985313415527,0.269728600978851,24.0262413024902,0.174821689724922,5.92300653457642,1.6529449224472,0.219829618930817,0.493234097957611,0.19873882830143,1.87908232212067,51.8782501220703,9.45503425598145,14.4949722290039,-0.279619425535202
InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2,1.20792400836945,0.579305052757263,34.9710578918457,0.292352288961411,5.65861177444458,11.9986352920532,0.114917285740376,3.62759971618652,0.208796977996826,1.79455101490021,0.718979716300964,0.140863060951233,0.336266696453094,0.270052284002304,0.929908633232117,8.27084922790527,3.443439245224,9.03900241851807,-0.213589757680893
InChI%3D1S%2FCH6N2%2Fc1-3-2%2Fh3H%2C2H2%2C1H3,1.1853734254837,0.39999982714653,34.9710578918457,0.399998277425766,5.93843698501587,11.9994735717773,0.286561369895935,1.38456475734711,0.217414334416389,0.80983954668045,0.44995790719986,0.0434786640107632,0.38537535071373,0.391280770301819,0.809789657592773,3.74923419952393,2.06958723068237,8.48476219177246,-0.14991594851017
InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H,1.14193248748779,0.489685505628586,34.9729766845703,0.430031776428223,6.18343162536621,11.9985628128052,0.171827271580696,8.52565670013428,6.39188302287153e-09,3.22788405418396,3.75148339060161e-08,0.162481993436813,0.222215250134468,0.450024008750916,2.64125227928162,14.3947925567627,5.86913633346558,11.1922044754028,-0.356198877096176
InChI%3D1S%2FC7H14N2O%2Fc1-7%282%294-5-8-9%283%296-10%2Fh5-7H%2C4H2%2C1-3H3,1.56939661502838,0.646106600761414,16.0059261322021,0.513283967971802,3.60474610328674,11.9886617660522,0.286287605762482,26.3776607513428,0.0570111759006977,10.3617382049561,0.729058980941772,0.357702791690826,0.410006016492844,0.132718443870544,1.69720363616943,51.9868774414062,12.7880010604858,7.59640550613403,-0.360255837440491
InChI%3D1S%2FC13H16F3N3O4%2Fc1-3-5-17%286-4-2%2912-10%2818%2820%2921%297-9%2813%2814%2C15%2916%298-11%2812%2919%2822%2923%2Fh7-8H%2C3-6H2%2C1-2H3,1.11129534244537,0.291504591703415,19.0004138946533,0.354445278644562,3.66730070114136,11.9989995956421,0.396390616893768,90.4384002685547,0.12852880358696,8.62943077087402,2.23798108100891,0.121695660054684,0.465345442295074,0.375876992940903,6.54487943649292,234.248687744141,17.4122905731201,10.7771339416504,-0.290773004293442
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H,1.1853734254837,0.39999982714653,34.9710578918457,0.399998277425766,5.93843698501587,11.9994735717773,0.286561369895935,1.38456475734711,0.217414334416389,0.80983954668045,0.44995790719986,0.0434786640107632,0.38537535071373,0.391280770301819,0.809789657592773,3.74923419952393,2.06958723068237,8.48476219177246,-0.14991594851017
InChI%3D1S%2FC8H14ClNS2%2Fc1-4-10%285-2%298%2811%2912-6-7%283%299%2Fh3-6H2%2C1-2H3,1.02116060256958,0.112172096967697,34.9693794250488,0.433050900697708,6.17049980163574,11.9985437393188,0.104249462485313,133.87043762207,0.043724674731493,25.1206741333008,1.32264399528503,0.372839540243149,0.475937604904175,0.125822603702545,3.80605506896973,290.578704833984,30.2493743896484,13.0387535095215,-0.263689130544662
InChI%3D1S%2FCH4N2O%2Fc2-3-1-4%2Fh1H%2C2H2%2C%28H%2C3%2C4%29,1.23348963260651,0.692725479602814,15.9979419708252,0.290764033794403,3.51569890975952,11.9969720840454,0.16349732875824,1.67820060253143,0.0535515658557415,2.42435145378113,0.16509784758091,0.339776694774628,0.250000029802322,0.16007949411869,0.493520170450211,4.95870399475098,3.08296942710876,4.55926418304443,-0.373170763254166
InChI%3D1S%2FC9H10O2%2Fc1-8%2810%2911-7-9-5-3-2-4-6-9%2Fh2-6H%2C7H2%2C1H3,1.22599971294403,0.576919674873352,15.9959192276001,0.433082908391953,3.8018946647644,11.8500003814697,0.258673906326294,14.1551208496094,0.0581033527851105,6.66301727294922,0.503959536552429,0.326152861118317,0.215997189283371,0.17369282245636,1.50652503967285,27.8873691558838,8.67350196838379,8.24794387817383,-0.311099797487259
InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-5-11%286-3-9%2914%2812%2910-4-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29,1.43943190574646,0.578582406044006,34.970157623291,0.419397294521332,4.2667441368103,11.9985513687134,0.32890847325325,23.133752822876,0.0995166227221489,5.02794933319092,0.902240872383118,0.165934801101685,0.441452234983444,0.345903635025024,3.13604307174683,46.4263954162598,9.06623268127441,8.72513389587402,-0.30292621254921
InChI%3D1S%2FC6H12N2O3%2Fc1-8%282%297-5%289%293-4-6%2810%2911%2Fh3-4H2%2C1-2H3%2C%28H%2C7%2C9%29%28H%2C10%2C11%29,1.5832747220993,0.638818264007568,15.9987049102783,0.496588736772537,3.73891568183899,11.9963550567627,0.279163718223572,16.1467876434326,0.159465968608856,4.22080707550049,1.19066715240479,0.173969298601151,0.447867721319199,0.275241643190384,2.05511665344238,33.9415245056152,7.46659088134766,7.38347673416138,-0.351490080356598
InChI%3D1S%2FC12HBr9%2Fc13-2-1-3%2814%296%2815%297%2816%294%282%295-8%2817%2910%2819%2912%2821%2911%2820%299%285%2918%2Fh1H,0.975760757923126,0.490216135978699,78.9263610839844,0.240598678588867,8.95215797424316,11.9988374710083,0.129849001765251,30.0323581695557,0.138393223285675,8.09993362426758,1.58602011203766,0.280089050531387,0.244945913553238,0.154821395874023,1.77429103851318,64.2863082885742,11.460244178772,16.5983848571777,-0.151459991931915
InChI%3D1S%2FC4H8Cl2O2%2Fc5-3-7-1-2-8-4-6%2Fh1-4H2,1.467817902565,0.556651711463928,34.9701538085938,0.5018510222435,4.7848072052002,11.9985990524292,0.184379518032074,8.01807022094727,0.0979098305106163,4.01680994033813,0.571354269981384,0.26625394821167,0.409315228462219,0.213751569390297,1.24735045433044,16.7162818908691,5.83551454544067,6.25295686721802,-0.357721537351608
InChI%3D1S%2FC11H17N3O4%2Fc1-12-10-3-2-9%288-11%2810%2914%2817%2918%2913%284-6-15%295-7-16%2Fh2-3%2C8%2C12%2C15-16H%2C4-7H2%2C1H3,1.5466194152832,0.582784414291382,16.0170001983643,0.490360915660858,3.88158941268921,11.9989995956421,0.178883716464043,35.7305946350098,0.0796623229980469,9.35247898101807,1.02736270427704,0.293897598981857,0.473474085330963,0.195140868425369,2.51662850379944,72.8078079223633,12.8964700698853,9.82785797119141,-0.39540895819664
InChI%3D1S%2FC6H4ClNO2%2Fc7-5-3-1-2-4-6%285%298%289%2910%2Fh1-4H,1.15104734897614,0.524447560310364,34.9693794250488,0.466374546289444,3.73509383201599,11.9985628128052,0.183547109365463,7.20182275772095,0.00866694282740355,3.39166021347046,0.0475498959422112,0.213649690151215,0.160225257277489,0.373133480548859,2.04714131355286,13.0183229446411,5.48635149002075,8.75554656982422,-0.196897238492966
InChI%3D1S%2FC6H8N2%2Fc7-8-6-4-2-1-3-5-6%2Fh1-5%2C8H%2C7H2,1.27910578250885,0.535781443119049,14.0040798187256,0.477334499359131,4.91909027099609,11.8500003814697,0.0986933708190918,7.71561574935913,0.0168479885905981,4.1063346862793,0.100126720964909,0.268219441175461,0.265989869832993,0.292192727327347,1.73648619651794,14.3725261688232,5.94294738769531,7.87838125228882,-0.266581177711487
InChI%3D1S%2FC8H18N2O%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh3-8H2%2C1-2H3,1.24864912033081,0.529688715934753,16.0168170928955,0.315958470106125,3.38467359542847,11.9989995956421,0.173747673630714,21.6936054229736,0.0738808140158653,8.3648796081543,0.798055052757263,0.330790847539902,0.403001934289932,0.1517314016819,1.638991355896,43.436840057373,10.8019256591797,7.83963680267334,-0.275211304426193
InChI%3D1S%2FC9H12N2O2%2Fc1-7%2813%2910-11-9-4-2-8%286-12%293-5-9%2Fh2-5%2C11-12H%2C6H2%2C1H3%2C%28H%2C10%2C13%29,1.22082185745239,0.561628699302673,15.9959211349487,0.405853420495987,4.33920240402222,11.8500003814697,0.151179894804955,22.9058990478516,0.0449267029762268,10.073787689209,0.550724267959595,0.366345763206482,0.253339767456055,0.13327893614769,1.63377094268799,44.2281455993652,12.2582836151123,8.52972888946533,-0.391113102436066
InChI%3D1S%2FC2F4%2Fc3-1%284%292%285%296,1.96109211444855,0.802814722061157,19.0020332336426,0.666666686534882,2.65272426605225,11.9978256225586,0.357081592082977,1.20474028587341,5.22452220375058e-11,1.53559601306915,1.21216148230019e-10,0.246391490101814,0.491610735654831,0.338144659996033,0.784542441368103,3.52487874031067,2.32013845443726,3.66421484947205,-0.190124750137329
InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C8H%2C1H3,1.06293249130249,0.524933755397797,15.9959182739258,0.420351535081863,4.66280746459961,11.8500003814697,0.120789863169193,8.84317779541016,0.0136697348207235,5.25008344650269,0.0944084525108337,0.320133656263351,0.117647133767605,0.226152062416077,1.56189322471619,16.5237197875977,6.90638494491577,7.40144920349121,-0.360495567321777
InChI%3D1S%2FC9H4Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-4H,1.24391198158264,0.498459249734879,34.9710578918457,0.471973955631256,5.88453102111816,11.9985370635986,0.356705754995346,19.7388896942139,0.03374083340168,8.19712448120117,0.354951500892639,0.334399193525314,0.273478776216507,0.187060251832008,1.96786236763,35.9844856262207,10.5199384689331,13.2208757400513,-0.274255514144897
InChI%3D1S%2FC18H23NO6%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2924-9-13-4-6-19-7-5-14%2815%2813%2919%2925-16%2812%2921%2Fh3-4%2C14-15%2C20%2C23H%2C2%2C5-10H2%2C1H3,1.38794243335724,0.491885632276535,16.0066509246826,0.457445919513702,4.92150735855103,11.9884386062622,0.360632508993149,43.3531761169434,0.138681337237358,6.65240430831909,1.69070661067963,0.159250929951668,0.438610851764679,0.315650761127472,3.84819459915161,98.8261413574219,12.1913051605225,10.6020040512085,-0.392007738351822
InChI%3D1S%2FC3H7NO2%2Fc1-2-6-3%284%295%2Fh2H2%2C1H3%2C%28H2%2C4%2C5%29,1.36670053005219,0.562956511974335,15.9982585906982,0.425576239824295,3.96614265441895,11.9965486526489,0.294877767562866,4.3971700668335,0.131136745214462,2.58335471153259,0.535711526870728,0.224284291267395,0.378167748451233,0.236484199762344,0.966070234775543,9.81928253173828,4.08513641357422,5.3898344039917,-0.345390141010284
InChI%3D1S%2FC3H3N%2Fc1-2-3-4%2Fh2H%2C1H2,1.43527662754059,0.479615539312363,14.0499544143677,0.359919965267181,3.51580190658569,11.9530916213989,0.312460422515869,1.42280197143555,5.91664994775698e-10,2.00385069847107,1.60571056451175e-09,0.303777426481247,0.595741152763367,0.261630088090897,0.710033893585205,4.1366868019104,2.71388459205627,5.33800506591797,-0.426043748855591
InChI%3D1S%2FC2H2Cl4%2Fc3-1%284%292%285%296%2Fh1-2H,1.87910974025726,0.687977492809296,34.9720077514648,0.707138299942017,6.56798601150513,11.998706817627,0.23259262740612,2.88594746589661,0.239410102367401,1.42655229568481,0.721206545829773,0.105166308581829,0.483993887901306,0.287034839391708,0.864672780036926,6.78798818588257,3.01243162155151,9.74158191680908,-0.173516392707825
InChI%3D1S%2FC2H8N2%2Fc1-3-4-2%2Fh3-4H%2C1-2H3,1.50137376785278,0.540396749973297,14.0092763900757,0.566713809967041,4.54363441467285,11.9938325881958,0.039202619343996,2.83197999000549,0.152770042419434,2.17718505859375,0.50840950012207,0.240660592913628,0.394263207912445,0.193015828728676,0.642345070838928,6.87093257904053,3.32793974876404,5.2450270652771,-0.30096098780632
InChI%3D1S%2FC20H14O4%2Fc21-15-9-5-13%286-10-15%2920%2814-7-11-16%2822%2912-8-14%2918-4-2-1-3-17%2818%2919%2823%2924-20%2Fh1-12%2C21-22H,1.21448516845703,0.374011605978012,15.9979343414307,0.444055050611496,4.90078210830688,11.8500003814697,0.295191198587418,58.551830291748,0.141317918896675,6.24490833282471,1.95732581615448,0.0881593823432922,0.396418571472168,0.407802909612656,5.64827966690063,141.443069458008,13.850513458252,13.1256303787231,-0.361399173736572
InChI%3D1S%2FC7H8N2O%2Fc8-9-7%2810%296-4-2-1-3-5-6%2Fh1-5H%2C8H2%2C%28H%2C9%2C10%29,1.5387864112854,0.562748193740845,15.9949178695679,0.582342445850372,4.74516582489014,11.8500003814697,0.185020476579666,10.90514087677,0.0694565325975418,4.30133628845215,0.460903972387314,0.23614664375782,0.393695771694183,0.282347947359085,1.87362194061279,21.255464553833,6.63586235046387,8.58138084411621,-0.343465089797974
InChI%3D1S%2FC15H13NO2%2Fc1-10%2817%2916%2818%2913-6-7-15-12%289-13%298-11-4-2-3-5-14%2811%2915%2Fh2-7%2C9%2C18H%2C8H2%2C1H3,1.12522327899933,0.523481249809265,15.9959230422974,0.215296030044556,4.40842008590698,11.8500003814697,0.227203205227852,93.07421875,0.0572755113244057,9.46014595031738,1.05487298965454,0.135236918926239,0.386445939540863,0.42907527089119,7.90250301361084,190.352813720703,18.4175224304199,10.1284475326538,-0.301107108592987
InChI%3D1S%2FC6H4Cl3N%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2H%2C10H2,1.19549953937531,0.493860304355621,34.9710578918457,0.436080038547516,6.44328546524048,11.9985628128052,0.139415115118027,7.72879409790039,0.00139246438629925,3.47246527671814,0.00792750902473927,0.207453027367592,0.26555922627449,0.388670146465302,2.21275758743286,13.4828567504883,5.69315052032471,9.72657775878906,-0.299190670251846
InChI%3D1S%2FC9H13N%2Fc1-6-4-8%283%299%2810%295-7%286%292%2Fh4-5H%2C10H2%2C1-3H3,1.51886141300201,0.659164190292358,14.0030784606934,0.584233522415161,5.95733261108398,11.8900003433228,0.0673320740461349,15.5648097991943,0.0261712204664946,5.19851875305176,0.211562722921371,0.232309356331825,0.275463670492172,0.33074963092804,2.67371153831482,26.5891857147217,8.0837926864624,8.58035278320312,-0.302248537540436
InChI%3D1S%2FC6Cl5NO2%2Fc7-1-2%288%294%2810%296%2812%2813%2914%295%2811%293%281%299,1.05270993709564,0.513343691825867,34.9729766845703,0.396508097648621,4.28521871566772,11.9985628128052,0.213407382369041,10.861120223999,0.0266466271132231,3.81657528877258,0.174418315291405,0.187305822968483,0.142858132719994,0.390278935432434,2.55461192131042,19.1072826385498,6.54560565948486,11.2744207382202,-0.192789793014526
InChI%3D1S%2FC2HCl3%2Fc3-1-2%284%295%2Fh1H,1.71821308135986,0.572782099246979,34.9710578918457,0.508221209049225,5.76899528503418,11.998706817627,0.223458230495453,1.81976246833801,3.68428274000188e-11,1.67009437084198,1.01675556862801e-10,0.203877523541451,0.63720977306366,0.394829958677292,1.08961653709412,4.5794734954834,2.75971102714539,8.80775833129883,-0.144798561930656
InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2,1.55180394649506,0.522736251354218,78.91943359375,0.450611412525177,5.58353137969971,11.9988508224487,0.11297070235014,12.7182912826538,0.137389555573463,4.90385103225708,0.993032336235046,0.258848935365677,0.578456282615662,0.184145212173462,1.33097565174103,26.4275798797607,7.22785902023315,8.9259614944458,-0.389359951019287
InChI%3D1S%2FC15H13NO%2Fc1-10%2817%2916-13-6-7-15-12%289-13%298-11-4-2-3-5-14%2811%2915%2Fh2-7%2C9H%2C8H2%2C1H3%2C%28H%2C16%2C17%29,1.33888912200928,0.553905010223389,15.9949188232422,0.500140726566315,4.78504514694214,11.8500003814697,0.137473955750465,32.7911186218262,0.0358103476464748,11.8778867721558,0.520842969417572,0.362494498491287,0.284843415021896,0.14753033220768,2.14575242996216,60.6103286743164,14.5444822311401,10.0872745513916,-0.348237693309784
InChI%3D1S%2FC6H12Cl2O%2Fc1-5%283-7%299-6%282%294-8%2Fh5-6H%2C3-4H2%2C1-2H3,1.61125802993774,0.620952129364014,34.9701538085938,0.508580207824707,5.41761922836304,11.9985628128052,0.117217294871807,10.0393848419189,0.104693494737148,3.43211698532104,0.628351807594299,0.17888431251049,0.481725782155991,0.323460757732391,1.94135415554047,20.2278881072998,6.00182294845581,8.07851314544678,-0.371339321136475
InChI%3D1S%2FC8H12N4O5%2Fc9-7-10-2-12%288%2816%2911-7%296-5%2815%294%2814%293%281-13%2917-6%2Fh2-6%2C13-15H%2C1H2%2C%28H2%2C9%2C11%2C16%29,1.46502196788788,0.542079627513885,34.9729766845703,0.49125000834465,6.57702541351318,11.9985313415527,0.270444065332413,20.4312801361084,0.183791905641556,5.2233567237854,1.57940280437469,0.205873608589172,0.43169230222702,0.208376616239548,1.79066979885101,43.7973480224609,8.59342956542969,11.6128044128418,-0.363728672266006
InChI%3D1S%2FC12H12N2O2%2Fc13-9-3-1-7%285-11%289%2915%298-2-4-10%2814%2912%2816%296-8%2Fh1-6%2C15-16H%2C13-14H2,1.66957747936249,0.574224889278412,15.9959230422974,0.563229382038116,5.27607822418213,11.8500003814697,0.194100216031075,26.7075748443604,0.0305179432034492,11.5340051651001,0.420625239610672,0.377626597881317,0.532123208045959,0.132646575570107,1.82825231552124,49.3602142333984,13.7828826904297,9.7813892364502,-0.359773725271225
InChI%3D1S%2FC12H17NO3%2Fc1-3-16-11-6-4-10%285-7-11%2913-12%2815%298-9%282%2914%2Fh4-7%2C9%2C14H%2C3%2C8H2%2C1-2H3%2C%28H%2C13%2C15%29,1.24622356891632,0.547609865665436,15.998706817627,0.421586185693741,4.64147853851318,11.9962186813354,0.206903293728828,39.0585823059082,0.0239951945841312,13.4856586456299,0.391393184661865,0.370075345039368,0.277027547359467,0.149237677454948,2.43426251411438,68.2184066772461,16.3113136291504,8.79890060424805,-0.417630821466446
InChI%3D1S%2FC12H13N3O%2Fc13-8-1-3-9%284-2-8%2916-10-5-6-11%2814%2912%2815%297-10%2Fh1-7H%2C13-15H2,1.24798679351807,0.558482348918915,15.9949188232422,0.393300831317902,5.5415997505188,11.8500003814697,0.162237480282784,32.1483993530273,0.0635479763150215,11.1060924530029,0.880318462848663,0.351290702819824,0.296203583478928,0.134731099009514,1.86640512943268,64.2488708496094,13.8528165817261,8.73480319976807,-0.310134172439575
InChI%3D1S%2FC12H4Cl4O2%2Fc13-5-1-9-10%282-6%285%2914%2918-12-4-8%2816%297%2815%293-11%2812%2917-9%2Fh1-4H,,,34.9720077514648,,6.6611008644104,11.9985237121582,0.168600007891655,,,,,,,,,,,9.7629337310791,-0.355713248252869
InChI%3D1S%2FC10Cl10O%2Fc11-2-1%2821%293%2812%296%2815%294%282%2C13%298%2817%295%282%2C14%297%283%2C16%299%286%2C18%2910%288%2C19%2920,1.11513686180115,0.384890705347061,34.9779205322266,0.419407874345779,7.08480787277222,11.9985313415527,0.227750346064568,14.105712890625,0.254110544919968,2.64364337921143,1.66711366176605,0.0522188954055309,0.310838311910629,0.342930942773819,2.24982738494873,30.5818576812744,6.5605845451355,16.7201957702637,-0.293300718069077
InChI%3D1S%2FC26H34O6%2Fc1-25%282%2C23%2827%2928%2914-8-16-31-20-12-13-22%2821%2818-20%2919-10-6-5-7-11-19%2932-17-9-15-26%283%2C4%2924%2829%2930%2Fh5-7%2C10-13%2C18H%2C8-9%2C14-17H2%2C1-4H3%2C%28H%2C27%2C28%29%28H%2C29%2C30%29,1.2365700006485,0.559165835380554,16.0066566467285,0.292782634496689,4.32627773284912,11.9883632659912,0.337834179401398,164.246139526367,0.057684239000082,27.8371086120605,1.93126094341278,0.373593509197235,0.384621560573578,0.110857754945755,3.71150374412537,397.259124755859,33.4798736572266,10.7343349456787,-0.346152812242508
InChI%3D1S%2FC7H9N%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5H%2C8H2%2C1H3,1.2299622297287,0.570332825183868,14.0090999603271,0.519131898880005,5.71616888046265,11.9935121536255,0.0497513934969902,8.94189262390137,0.0186971444636583,3.51669049263,0.111891835927963,0.190729662775993,0.14049756526947,0.393663287162781,2.35585236549377,15.8533296585083,5.98443460464478,8.04589366912842,-0.33662161231041
InChI%3D1S%2FC7H5Cl2NO2%2Fc8-3-1-4%287%2811%2912%296%289%295%2810%292-3%2Fh1-2H%2C10H2%2C%28H%2C11%2C12%29,1.17461383342743,0.533460974693298,34.9701538085938,0.428023844957352,4.47721290588379,11.9985513687134,0.292752802371979,12.6462259292603,0.0170118194073439,4.55726718902588,0.123543992638588,0.220646530389786,0.213129058480263,0.355459481477737,2.58143377304077,21.3618774414062,7.2622447013855,9.81963443756104,-0.32770636677742
InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H,1.29335200786591,0.563985228538513,15.9982585906982,0.58466374874115,4.70625352859497,11.9963550567627,0.126760989427567,6.17835140228271,2.2290027601457e-08,2.79102730751038,1.11554349757625e-07,0.168263018131256,0.144703090190887,0.442315936088562,2.21364760398865,11.1830272674561,5.00467491149902,6.95473098754883,-0.382762879133224
InChI%3D1S%2FC6H7N3O2%2Fc7-4-1-2-5%288%296%283-4%299%2810%2911%2Fh1-3H%2C7-8H2,1.23901963233948,0.537590146064758,16.0168724060059,0.502617180347443,3.67611265182495,11.9989995956421,0.178614720702171,10.8397445678711,0.00555128650739789,4.40790462493896,0.0380061492323875,0.232873365283012,0.19881235063076,0.350617557764053,2.40045666694641,18.0882549285889,6.84636783599854,8.16389083862305,-0.323234558105469
InChI%3D1S%2FC7H9N3O%2Fc8-7%2811%2910-9-6-4-2-1-3-5-6%2Fh1-5%2C9H%2C%28H3%2C8%2C10%2C11%29,1.24891376495361,0.534788191318512,15.9949178695679,0.457554459571838,4.48026514053345,11.8500003814697,0.221419751644135,13.2220525741577,0.0444427616894245,6.44346380233765,0.373475342988968,0.325068771839142,0.256571173667908,0.188798874616623,1.58657383918762,25.4436168670654,8.40351295471191,8.39475631713867,-0.335241287946701
InChI%3D1S%2FC6H6N6O%2Fc1-12%2811-13%296-4-5%288-2-7-4%299-3-10-6%2Fh2-3H%2C1H3%2C%28H%2C7%2C8%2C9%2C10%29,1.22960925102234,0.570092380046844,15.9949188232422,0.398394018411636,3.40919971466064,11.9945430755615,0.153810679912567,14.8400888442993,0.0242930594831705,5.41254138946533,0.195933192968369,0.253311306238174,0.261122912168503,0.304625183343887,2.45692348480225,25.5110454559326,8.06539821624756,9.06374835968018,-0.295512080192566
InChI%3D1S%2FC16H11N3O6%2Fc1-18-8-12%2816%2821%2922%2914%2820%2911-6-3-9%2817-15%2811%2918%292-4-10-5-7-13%2825-10%2919%2823%2924%2Fh2-8H%2C1H3%2C%28H%2C21%2C22%29,1.314453125,0.521619617938995,,0.484267622232437,,,,46.1262168884277,0.156695246696472,6.72698545455933,1.95555019378662,0.15426729619503,0.30856591463089,0.304281681776047,3.79742288589478,108.561111450195,12.4799585342407,,
InChI%3D1S%2FC4H9NO%2Fc1-3-4%282%295-6%2Fh6H%2C3H2%2C1-2H3,1.4552206993103,0.634011268615723,16.0009727478027,0.421209961175919,3.80328798294067,11.9989995956421,0.0421749949455261,6.51901149749756,0.0623694397509098,3.06137943267822,0.313233941793442,0.207173928618431,0.399999469518661,0.32806533575058,1.64762091636658,13.1211957931519,5.02223443984985,6.81850528717041,-0.331851780414581
InChI%3D1S%2FC9H11NO2%2Fc1-2-12-8-6-4-3-5-7%288%299%2810%2911%2Fh3-6H%2C2H2%2C1H3%2C%28H2%2C10%2C11%29,1.13256728649139,0.533590257167816,15.9982604980469,0.425356149673462,5.01782417297363,11.9962692260742,0.189774960279465,19.0225067138672,0.0153777347877622,5.68852281570435,0.13773438334465,0.226333096623421,0.173620834946632,0.349511474370956,3.13048362731934,30.4319972991943,8.9567403793335,9.01569557189941,-0.367290049791336
InChI%3D1S%2FC8H13NO2%2Fc1-9-5-3-4-7%286-9%298%2810%2911-2%2Fh4H%2C3%2C5-6H2%2C1-2H3,1.39359140396118,0.512198626995087,15.9959192276001,0.492330223321915,4.54083251953125,11.9944725036621,0.289889454841614,18.1282901763916,0.0429804809391499,6.30536842346191,0.388377875089645,0.273345530033112,0.38906255364418,0.259225457906723,2.34239888191223,32.9006538391113,9.03614521026611,8.79600811004639,-0.329131782054901
InChI%3D1S%2FC8H10N2S%2Fc1-2-7-5-6%288%289%2911%293-4-10-7%2Fh3-5H%2C2H2%2C1H3%2C%28H2%2C9%2C11%29,1.29842245578766,0.563523292541504,31.972677230835,0.380241632461548,5.57255744934082,11.9984741210938,0.138115152716637,17.9064979553223,0.0891995131969452,5.83436679840088,0.770273566246033,0.25672522187233,0.354657560586929,0.235166862607002,2.03076004981995,35.6682548522949,8.63540077209473,9.96507358551025,-0.293129980564117
InChI%3D1S%2FC12H10N2O%2Fc15-14-12-8-6-11%287-9-12%2913-10-4-2-1-3-5-10%2Fh1-9%2C13H,1.57339382171631,0.555647015571594,15.9949188232422,0.568137586116791,3.40496802330017,11.8500003814697,0.107915632426739,23.5644454956055,0.0285027343779802,9.1268835067749,0.331483572721481,0.338583767414093,0.449609130620956,0.186718925833702,2.17151999473572,41.7640762329102,11.6298875808716,9.02811431884766,-0.258832335472107
InChI%3D1S%2FC6H7ClN2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3H%2C8-9H2,1.48211443424225,0.518357217311859,34.9688529968262,0.576745331287384,5.80192375183105,11.9935512542725,0.0744823962450027,8.26956272125244,0.00261551863513887,3.34071946144104,0.0151830138638616,0.18161952495575,0.387011885643005,0.421891778707504,2.44907021522522,14.1987581253052,5.80497264862061,8.60813617706299,-0.334154278039932
InChI%3D1S%2FC6H11NO2%2Fc1-3-5-6%284-2%297%288%299%2Fh5H%2C3-4H2%2C1-2H3,1.33518469333649,0.563406527042389,16.0168704986572,0.378775805234909,3.63411474227905,11.9989995956421,0.190624639391899,10.6902189254761,0.0974955037236214,5.39056253433228,0.704493463039398,0.309503704309464,0.393002361059189,0.156499579548836,1.1308513879776,22.2106647491455,7.22590732574463,7.84538078308105,-0.265907466411591
InChI%3D1S%2FC3H6O2%2Fc4-1-3-2-5-3%2Fh3-4H%2C1-2H2,1.51759850978851,0.556190729141235,15.9977836608887,0.526199638843536,3.65949654579163,11.9970207214355,0.10469364374876,2.66775417327881,0.12396551668644,2.25872492790222,0.411713689565659,0.260070472955704,0.435208112001419,0.195940524339676,0.650756776332855,6.59411954879761,3.32119536399841,5.44575548171997,-0.393309623003006
InChI%3D1S%2FC24H36O5%2Fc1-5-15%283%2924%2827%2929-21-11-14%282%2910-17-7-6-16%284%2920%2823%2817%2921%299-8-19-12-18%2825%2913-22%2826%2928-19%2Fh6-7%2C10%2C14-16%2C18-21%2C23%2C25H%2C5%2C8-9%2C11-13H2%2C1-4H3,0.91193962097168,0.170808419585228,15.9997577667236,0.34091329574585,4.24397087097168,11.996636390686,0.281334728002548,136.97004699707,0.187755137681961,12.4489450454712,4.08228015899658,0.179420605301857,0.400217890739441,0.23968406021595,5.21134805679321,423.553741455078,21.7425727844238,12.2281122207642,-0.391941726207733
InChI%3D1S%2FC6H4F4N2%2Fc7-1-2%288%295%2811%294%2810%296%2812%293%281%299%2Fh11-12H2,1.39707493782043,0.553705215454102,19.0020370483398,0.484593659639359,4.06046724319458,11.9975233078003,0.211468711495399,9.45505046844482,0.00189425621647388,3.87709903717041,0.0119496015831828,0.210949584841728,0.358776062726974,0.383506298065186,2.41928601264954,15.875470161438,6.30833435058594,7.48176908493042,-0.298506677150726
InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3,1.25028252601624,0.521313905715942,16.0169982910156,0.509860515594482,3.59882807731628,11.9989995956421,0.175847336649895,12.7795658111572,0.0228026118129492,4.81993913650513,0.168454021215439,0.239334732294083,0.219108134508133,0.324751079082489,2.39909482002258,22.1149711608887,7.38748788833618,8.25090026855469,-0.275286048650742
InChI%3D1S%2FC5H8%2Fc1-4-5%282%293%2Fh4H%2C1-2H2%2C3H3,1.45394802093506,0.453268676996231,12.1100559234619,0.585859954357147,5.24886846542358,11.8900003433228,0.0612239465117455,7.71887493133545,0.153426304459572,2.4557843208313,0.772011637687683,0.116039097309113,0.414819449186325,0.358521550893784,1.80401146411896,16.1708965301514,5.03180742263794,7.23342752456665,-0.159536510705948
InChI%3D1S%2FC15H11ClN2O2%2Fc16-10-6-7-12-11%288-10%2913%289-4-2-1-3-5-9%2918-15%2820%2914%2819%2917-12%2Fh1-8%2C15%2C20H%2C%28H%2C17%2C19%29,1.37102842330933,0.552284061908722,78.91943359375,0.400000005960464,7.10049629211426,11.9998188018799,0.259139686822891,1.55374360084534,0.240105554461479,0.867635607719421,0.523782789707184,0.0482974871993065,0.41874435544014,0.362164467573166,0.790050566196442,4.0942530632019,2.18146896362305,10.7978801727295,-0.129896730184555
InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29,1.55728542804718,0.587595820426941,14.0082683563232,0.601470232009888,5.49149465560913,11.9946517944336,0.0551623143255711,5.01832342147827,0.121291793882847,2.82002735137939,0.533839046955109,0.230546772480011,0.368219345808029,0.23797918856144,1.04741287231445,10.9964208602905,4.40127944946289,7.11350584030151,-0.330045133829117
InChI%3D1S%2FC14H19NO2%2Fc1-17-14%2816%2913%2811-7-3-2-4-8-11%2912-9-5-6-10-15-12%2Fh2-4%2C7-8%2C12-13%2C15H%2C5-6%2C9-10H2%2C1H3,1.27572524547577,0.45609837770462,15.9959230422974,0.299653768539429,4.89371013641357,11.9943561553955,0.270336866378784,39.5025367736816,0.125301152467728,6.66026639938354,1.47642743587494,0.173931613564491,0.519973039627075,0.309456706047058,3.64633822441101,87.141471862793,11.783031463623,10.8809442520142,-0.342147678136826
InChI%3D1S%2FC4H7Cl2O4P%2Fc1-8-11%287%2C9-2%2910-3-4%285%296%2Fh3H%2C1-2H3,1.24898684024811,0.449724227190018,34.970157623291,0.429210275411606,3.13474416732788,11.9985990524292,0.457887351512909,16.2696361541748,0.131418362259865,4.14413452148438,0.986288189888,0.164140164852142,0.370052397251129,0.316394746303558,2.3745265007019,33.4800148010254,7.50494956970215,8.39773941040039,-0.287472993135452
InChI%3D1S%2FC6H11IO3%2Fc1-4%287%296-9-3-5%282-8%2910-6%2Fh4-6%2C8H%2C2-3H2%2C1H3,1.4896594285965,0.546757400035858,126.904472351074,0.512800514698029,4.20426750183105,11.9963550567627,0.170067086815834,12.4586067199707,0.13843309879303,4.87166500091553,0.991764485836029,0.25999990105629,0.430101543664932,0.181567043066025,1.30078530311584,25.9076232910156,7.16421461105347,11.7190961837769,-0.417714297771454
InChI%3D1S%2FC6H6O4%2Fc7-2-4-1-5%288%296%289%293-10-4%2Fh1%2C3%2C7%2C9H%2C2H2,1.36169731616974,0.561592519283295,15.9989624023438,0.405407547950745,4.14775705337524,11.9968357086182,0.166036695241928,8.50777053833008,0.16836342215538,3.2359733581543,0.923707067966461,0.192363917827606,0.394697308540344,0.241818010807037,1.32670748233795,17.9598083496094,5.48638772964478,7.39882612228394,-0.394000768661499
InChI%3D1S%2FC12H14N2O2%2Fc1-2-12%289-6-4-3-5-7-9%2910%2815%2913-8-14-11%2812%2916%2Fh3-7H%2C2%2C8H2%2C1H3%2C%28H%2C13%2C15%29%28H%2C14%2C16%29,1.212247133255,0.428379654884338,15.9959230422974,0.442028343677521,5.91479682922363,11.8500003814697,0.157225295901299,23.7218265533447,0.172921255230904,4.87368011474609,1.54611420631409,0.158813372254372,0.341839164495468,0.281994253396988,2.52135181427002,51.6620292663574,8.94114589691162,11.9546918869019,-0.348187655210495
InChI%3D1S%2FC7H5Cl3%2Fc8-7%289%2C10%296-4-2-1-3-5-6%2Fh1-5H,1.20742654800415,0.557453453540802,34.9710578918457,0.522835552692413,6.76730298995972,11.9985513687134,0.321513444185257,8.58647441864014,0.0459871962666512,3.72824621200562,0.271031081676483,0.22444261610508,0.127137526869774,0.321422666311264,1.89434313774109,16.3942718505859,5.89362049102783,11.6391286849976,-0.139393776655197
InChI%3D1S%2FC2H5NO%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29,1.58688271045685,0.737335383892059,15.9979419708252,0.627325236797333,3.88754177093506,11.9966878890991,0.153052613139153,2.00296592712402,0.0597062893211842,1.98435688018799,0.174712151288986,0.258601933717728,0.222222149372101,0.262157827615738,0.767124474048615,5.1951150894165,2.92619347572327,5.17695713043213,-0.372745186090469
InChI%3D1S%2FC2H8N2O%2Fc3-4-1-2-5%2Fh4-5H%2C1-3H2,1.24475646018982,0.51059091091156,15.9979429244995,0.397980391979218,3.72455358505249,11.9966878890991,0.0828494131565094,3.57805633544922,0.148061618208885,2.67363667488098,0.574009597301483,0.267233908176422,0.336185157299042,0.162293165922165,0.629182875156403,8.42048835754395,3.87682914733887,5.73975563049316,-0.419731229543686
InChI%3D1S%2FC6H8O%2Fc1-2-3-4-5-6-7%2Fh2-6H%2C1H3,1.20361256599426,0.569536089897156,16.0059242248535,0.50074303150177,3.51526832580566,11.9886989593506,0.22660993039608,6.54199981689453,0.0154656386002898,5.61985683441162,0.104618564248085,0.373082607984543,0.133333399891853,0.153757572174072,1.04010546207428,13.9181022644043,6.76458120346069,6.97365760803223,-0.382098793983459
InChI%3D1S%2FC12H8Cl6O%2Fc13-8-9%2814%2911%2816%295-3-1-2%286-7%283%2919-6%294%285%2910%288%2C15%2912%2811%2C17%2918%2Fh2-7H%2C1H2,1.33248627185822,0.520568013191223,34.9739608764648,0.416698962450027,6.51899480819702,11.9985237121582,0.260110318660736,15.5955715179443,0.239077046513557,3.71897125244141,1.70467555522919,0.141183227300644,0.395219296216965,0.239345327019691,1.70658838748932,33.5449600219727,7.13023519515991,15.5097017288208,-0.368371039628983
InChI%3D1S%2FC14H8Cl4%2Fc15-11-5-1-9%282-6-11%2913%2814%2817%2918%2910-3-7-12%2816%298-4-10%2Fh1-8H,1.27705442905426,0.530633330345154,34.9720077514648,0.254821002483368,6.17832612991333,11.9985179901123,0.21543838083744,30.6925525665283,0.171662271022797,7.1995964050293,1.88300633430481,0.242257654666901,0.491600126028061,0.171994179487228,1.88664710521698,67.2388610839844,10.9692497253418,12.4378805160522,-0.146463736891747
InChI%3D1S%2FC13H19NO4S%2Fc1-3-9-14%2810-4-2%2919%2817%2C18%2912-7-5-11%286-8-12%2913%2815%2916%2Fh5-8H%2C3-4%2C9-10H2%2C1-2H3%2C%28H%2C15%2C16%29,1.24838864803314,0.4565210044384,31.9720726013184,0.386381089687347,4.21176815032959,11.9962062835693,0.309682041406631,51.0888824462891,0.0796158388257027,9.82750034332275,1.16232562065125,0.254865854978561,0.405486583709717,0.247229710221291,3.60934996604919,106.916778564453,14.599175453186,12.058536529541,-0.346716344356537
InChI%3D1S%2FC3H6O%2Fc1-3-2-4-3%2Fh3H%2C2H2%2C1H3,1.27053487300873,0.604494571685791,15.9974164962769,0.349343299865723,4.17043542861938,11.9970207214355,0.0949969589710236,2.07877445220947,0.115308277308941,1.92057192325592,0.333488494157791,0.248048320412636,0.316696971654892,0.220627307891846,0.63808661699295,5.37960863113403,2.89214706420898,5.21050453186035,-0.394129395484924
InChI%3D1S%2FC10H12O%2Fc1-3-4-9-5-7-10%2811-2%298-6-9%2Fh3%2C5-8H%2C1%2C4H2%2C2H3,1.25859236717224,0.529378533363342,15.9979438781738,0.389558136463165,4.72248363494873,11.9962491989136,0.075649619102478,17.2008762359619,0.0532803535461426,8.47579383850098,0.554893732070923,0.360378056764603,0.339655637741089,0.132882237434387,1.38391590118408,34.1242637634277,10.4146032333374,8.6657886505127,-0.377474546432495
InChI%3D1S%2FC6H12N2%2Fc1-3-5-7-8-6-4-2%2Fh3-4%2C7-8H%2C1-2%2C5-6H2,1.2924131155014,0.52107173204422,14.0040798187256,0.45532163977623,5.04504251480103,11.789999961853,0.121488086879253,11.664927482605,0.0994084030389786,5.44768714904785,0.737764298915863,0.300527334213257,0.316019773483276,0.166555166244507,1.23609721660614,24.0544853210449,7.42154836654663,6.87429809570312,-0.299343913793564
InChI%3D1S%2FC30H22O12%2Fc1-5-3-7%2831%299-11%2819%285%2933%2927%2841%2929-13-14-24%2838%2917%2829%2926%2840%2916-22%2836%2910-8%2832%294-6%282%2920%2834%2912%2810%2928%2842%2930%2814%2C16%2918%2823%2813%2937%2925%2839%2915%2829%2921%289%2935%2Fh3-4%2C13-14%2C17-18%2C23-24%2C31-38H%2C1-2H3,1.02933824062347,0.422224134206772,16.0063915252686,0.229205027222633,5.90612030029297,11.9961137771606,0.180210560560226,124.832382202148,0.11423921585083,18.2690124511719,2.80638241767883,0.307756543159485,0.377909123897552,0.142085388302803,3.49044728279114,328.352874755859,24.5658416748047,14.961874961853,-0.392668128013611
InChI%3D1S%2FC12H15N3O5%2Fc13-9%2812%2819%2920%295-6-10%2816%2915-14-8-3-1-7%282-4-8%2911%2817%2918%2Fh1-4%2C9%2C14H%2C5-6%2C13H2%2C%28H%2C15%2C16%29%28H%2C17%2C18%29%28H%2C19%2C20%29,1.22362494468689,0.389564335346222,16.0000019073486,0.537973463535309,4.00863361358643,11.9962186813354,0.295586317777634,237.736709594727,0.0472624860703945,22.6430377960205,1.5394332408905,0.27137678861618,0.296087116003036,0.25756847858429,8.38951778411865,562.745849609375,32.5719871520996,8.71062088012695,-0.349928081035614
InChI%3D1S%2FC16H14Cl2O3%2Fc1-2-21-15%2819%2916%2820%2C11-3-7-13%2817%298-4-11%2912-5-9-14%2818%2910-6-12%2Fh3-10%2C20H%2C2H2%2C1H3,1.29280364513397,0.410999417304993,34.969856262207,0.364847630262375,5.05576229095459,11.8500003814697,0.30301359295845,55.9865036010742,0.111923582851887,7.25343370437622,1.55398762226105,0.14181312918663,0.516956567764282,0.365658909082413,5.07694053649902,127.096855163574,13.8843622207642,11.7646942138672,-0.371003687381744
InChI%3D1S%2FC12H5Cl5%2Fc13-8-3-1-2-6%2810%288%2915%297-4-5-9%2814%2912%2817%2911%287%2916%2Fh1-5H,0.977694809436798,0.439550578594208,34.9729766845703,0.262448936700821,6.86269426345825,11.9985237121582,0.142961367964745,35.8022117614746,0.0958620607852936,11.5248489379883,1.3848888874054,0.348312854766846,0.275695264339447,0.106387481093407,1.53694641590118,74.779541015625,14.446683883667,11.8445825576782,-0.172561705112457
InChI%3D1S%2FC2H5N%2Fc1-2-3-1%2Fh3H%2C1-2H2,1.53608381748199,0.641516447067261,14.0080547332764,0.364609479904175,4.33660650253296,11.9948453903198,0.0370628796517849,1.33495402336121,0.183508217334747,0.999419629573822,0.380196332931519,0.111790128052235,0.529957830905914,0.334104955196381,0.692205965518951,3.66979742050171,2.07182192802429,4.61493253707886,-0.342097848653793
InChI%3D1S%2FC3H5Cl%2Fc1-2-3-4%2Fh2-3H%2C1H3,1.10130190849304,0.494831621646881,34.9693794250488,0.384248644113541,5.09068775177002,11.9986352920532,0.0859039500355721,2.09763026237488,0.0559777691960335,2.23193717002869,0.174442306160927,0.287164121866226,0.222221627831459,0.22780342400074,0.709898889064789,5.49030351638794,3.11627840995789,6.49442768096924,-0.193005353212357
InChI%3D1S%2FC3H5ClO%2Fc1-3%284%292-5%2Fh2-3H%2C1H3,1.19210803508759,0.547379374504089,34.9688529968262,0.266040474176407,3.6251962184906,11.9888439178467,0.226792544126511,2.72925209999084,0.191417247056961,1.68498146533966,0.581591963768005,0.165928885340691,0.378688156604767,0.254010885953903,0.771773099899292,6.5239143371582,3.03834652900696,7.23200225830078,-0.38426285982132
InChI%3D1S%2FC5H10N2O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H2,1.46285223960876,0.564464688301086,19.0038166046143,0.458120137453079,3.11112141609192,11.9974756240845,0.410350888967514,22.0330619812012,0.101409807801247,7.64374494552612,1.04505252838135,0.306300342082977,0.440267443656921,0.156856417655945,1.61644315719604,45.2506370544434,10.3052406311035,7.80551290512085,-0.191950872540474
InChI%3D1S%2FC6H12N3PS%2Fc11-10%287-1-2-7%2C8-3-4-8%299-5-6-9%2Fh1-6H2,1.24809288978577,0.494700282812119,31.9720726013184,0.528283655643463,6.42700004577637,11.8999996185303,0.121969997882843,18.3240852355957,0.123658768832684,3.74525713920593,0.968450129032135,0.10866629332304,0.225108921527863,0.398119509220123,3.11792612075806,37.4647331237793,7.83163356781006,11.133002281189,-0.252056479454041
InChI%3D1S%2FC17H17ClO3%2Fc1-17%282%2C16%2819%2920%2921-11-12-3-5-13%286-4-12%2914-7-9-15%2818%2910-8-14%2Fh3-10H%2C11H2%2C1-2H3%2C%28H%2C19%2C20%29,1.36340093612671,0.566656589508057,34.9688529968262,0.489131569862366,4.20662307739258,11.9961700439453,0.309673428535461,51.5334701538086,0.0637918934226036,16.5048904418945,1.24365901947021,0.384947836399078,0.307612746953964,0.0896109864115715,1.74701690673828,106.889099121094,19.4955654144287,9.81289482116699,-0.3640176653862
InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2,1.79876053333282,0.634453892707825,34.9693794250488,0.567934691905975,4.77382135391235,11.998706817627,0.0834903791546822,0.976341962814331,1.66731642381457e-10,1.37341105937958,3.47518680499093e-10,0.244198799133301,0.59637188911438,0.341068267822266,0.710888385772705,3.0606415271759,2.08429956436157,5.86817216873169,-0.193793177604675
InChI%3D1S%2FC2H5Cl%2Fc1-2-3%2Fh2H2%2C1H3,1.86901247501373,0.781982064247131,34.9693794250488,0.587047755718231,4.60632181167603,11.998706817627,0.0918074995279312,1.42313742637634,0.178756311535835,1.22650241851807,0.393367171287537,0.168016031384468,0.499982744455338,0.263888984918594,0.580708265304565,3.9038872718811,2.20057773590088,5.83542585372925,-0.219300657510757
InChI%3D1S%2FC2H5Br%2Fc1-2-3%2Fh2H2%2C1H3,1.82299566268921,0.738905966281891,78.9185180664062,0.584161520004272,5.42599678039551,11.9989070892334,0.0830138474702835,1.51520502567291,0.175651431083679,1.21880102157593,0.395960748195648,0.155502557754517,0.499928116798401,0.283678501844406,0.639479875564575,4.07805776596069,2.2542417049408,6.99242544174194,-0.196960434317589
InChI%3D1S%2FC11H11N3O3%2Fc12-10%2815%296-9-11%2816%2917-13-14%289%297-8-4-2-1-3-5-8%2Fh1-5H%2C6-7H2%2C%28H2-%2C12%2C13%2C15%2C16%29%2Fp%2B1,1.35087049007416,0.514172732830048,15.9969272613525,0.444235980510712,4.78477048873901,11.8500003814697,0.194254517555237,24.0660438537598,0.106851637363434,5.96052598953247,1.02117097377777,0.217765882611275,0.392461776733398,0.269460499286652,2.57520866394043,49.2975158691406,9.55690574645996,9.4895658493042,-0.364911317825317
InChI%3D1S%2FC7H9N%2Fc1-6-3-2-4-7%288%295-6%2Fh2-5H%2C8H2%2C1H3,1.1972382068634,0.570468425750732,14.003077507019,0.489763259887695,5.56436824798584,11.8500003814697,0.138066157698631,9.1070556640625,0.0160205159336329,3.98783302307129,0.0996205732226372,0.230978548526764,0.137006536126137,0.342674762010574,2.13085865974426,16.1718940734863,6.21831226348877,7.77341508865356,-0.302459627389908
InChI%3D1S%2FC3H6Cl2%2Fc1-3%285%292-4%2Fh3H%2C2H2%2C1H3,1.52856469154358,0.569495618343353,34.9701538085938,0.462885737419128,5.41362619400024,11.9986352920532,0.113158449530602,3.13077783584595,0.203043282032013,1.76406478881836,0.656946182250977,0.158916518092155,0.496183305978775,0.251734703779221,0.814487099647522,7.31018161773682,3.23549818992615,8.06100273132324,-0.213894069194794
InChI%3D1S%2FC12H12N2O%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,1.16954469680786,0.400010496377945,34.9710578918457,0.400003612041473,4.8744969367981,11.999472618103,0.440131902694702,1.67067193984985,0.264513432979584,0.827736437320709,0.595360994338989,0.025816785171628,0.369530647993088,0.367730855941772,0.827680468559265,4.32933235168457,2.25077795982361,8.39384937286377,-0.168993905186653
InChI%3D1S%2FC7H6O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-6H,1.36079084873199,0.514883279800415,15.9949159622192,0.51389080286026,3.79509139060974,11.8500003814697,0.149764657020569,6.27692985534668,1.25716148602351e-09,3.33025169372559,6.5561893691779e-09,0.228936493396759,0.332016736268997,0.361418008804321,1.88482129573822,11.4920024871826,5.2150731086731,7.6498818397522,-0.29739835858345
InChI%3D1S%2FC10H8Cl8%2Fc1-4-7%282-11%2C3-12%299%2816%296%2814%295%2813%298%284%2C15%2910%289%2C17%2918%2Fh5-6H%2C1-3H2,1.34714090824127,0.519549548625946,34.9759330749512,0.399991303682327,7.2653751373291,11.9985313415527,0.257467210292816,15.9954118728638,0.260613977909088,3.0933084487915,1.83014309406281,0.0803673639893532,0.427600115537643,0.298896223306656,2.09897756576538,34.9005661010742,7.0224289894104,16.3920059204102,-0.173353880643845
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%2C2-3H3,1.35141265392303,0.468645304441452,16.0061473846436,0.44467967748642,4.34051609039307,11.988395690918,0.333123087882996,50.6835517883301,0.122047923505306,9.00457668304443,1.70963215827942,0.23211681842804,0.438087612390518,0.235129654407501,3.29366707801819,115.39582824707,14.0078754425049,12.5465898513794,-0.340099722146988
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%29,1.30291771888733,0.574342966079712,31.972677230835,0.416569530963898,5.03663396835327,11.9984836578369,0.224180117249489,16.379373550415,0.0472290441393852,7.06684923171997,0.438045114278793,0.321448922157288,0.312005192041397,0.190839037299156,1.77001476287842,31.1335372924805,9.27490901947021,9.25635623931885,-0.344624102115631
InChI%3D1S%2FC24H51O4P%2Fc1-7-13-16-22%2810-4%2919-26-29%2825%2C27-20-23%2811-5%2917-14-8-2%2928-21-24%2812-6%2918-15-9-3%2Fh22-24H%2C7-21H2%2C1-6H3,1.27636706829071,0.405105888843536,30.973762512207,0.403628468513489,3.95668864250183,11.8900003433228,0.453969925642014,107.759948730469,0.214753717184067,8.0748815536499,3.93777322769165,0.0802839025855064,0.467632681131363,0.344867736101151,6.32357358932495,327.167175292969,18.3362274169922,8.89439105987549,-0.284090340137482
InChI%3D1S%2FC8H14O2%2Fc1-4-5-10-8%289%296-7%282%293%2Fh4%2C7H%2C1%2C5-6H2%2C2-3H3,1.46694278717041,0.555502831935883,15.9959182739258,0.463687837123871,4.29299449920654,11.8900003433228,0.262033939361572,12.7685050964355,0.114733837544918,4.19912624359131,0.789774417877197,0.207518517971039,0.447752118110657,0.27524146437645,1.89463436603546,25.9353351593018,6.88353538513184,7.50366020202637,-0.311501413583755
InChI%3D1S%2FC10H9Cl7%2Fc1-4-6%282%2C3%298%2813%295%2811%297%284%2C12%299%2814%2C15%2910%288%2C16%2917%2Fh5H%2C1H2%2C2-3H3,1.34600293636322,0.497462064027786,34.9749450683594,0.386571615934372,8.44173526763916,11.9985313415527,0.272349834442139,15.4897804260254,0.248674765229225,3.10393762588501,1.72282218933105,0.0860203057527542,0.461969256401062,0.30329817533493,2.10125374794006,33.6543159484863,6.92801380157471,15.9030141830444,-0.16488279402256
InChI%3D1S%2FC10H6Cl8%2Fc11-3-1-2-4%285%283%2912%299%2816%297%2814%296%2813%298%282%2C15%2910%289%2C17%2918%2Fh2-5H%2C1H2,1.35555613040924,0.505253911018372,34.9759330749512,0.434502601623535,7.26024341583252,11.9985313415527,0.229562610387802,14.8055858612061,0.185698881745338,3.72563171386719,1.3013299703598,0.148733794689178,0.415799647569656,0.282656073570251,1.98078095912933,31.4167022705078,7.00774240493774,15.8327598571777,-0.174253523349762
InChI%3D1S%2FC12H9N%2Fc1-3-7-11-9%285-1%2910-6-2-4-8-12%2810%2913-11%2Fh1-8%2C13H,1.17413973808289,0.553500294685364,14.003080368042,0.535620272159576,6.99253129959106,11.8500003814697,0.127198740839958,16.6848812103271,0.000681301113218069,6.88650894165039,0.00634095259010792,0.304938644170761,0.0850192010402679,0.259400516748428,2.41427206993103,26.0974273681641,9.30712127685547,9.76390075683594,-0.257607638835907
InChI%3D1S%2FC13H11ClO%2Fc14-12-6-7-13%2815%2911%289-12%298-10-4-2-1-3-5-10%2Fh1-7%2C9%2C15H%2C8H2,1.43604874610901,0.557592213153839,34.9688529968262,0.481322705745697,5.42532920837402,11.8500003814697,0.0903838500380516,24.3830471038818,0.0975229665637016,6.7160210609436,0.976179838180542,0.253211289644241,0.397133857011795,0.231528654694557,2.317542552948,49.5867004394531,10.0097436904907,9.80322933197021,-0.360145390033722
InChI%3D1S%2FC8H11NO%2Fc1-6-3-4-8%2810-2%297%289%295-6%2Fh3-5H%2C9H2%2C1-2H3,1.15413582324982,0.517319023609161,15.9949169158936,0.424224644899368,4.83613586425781,11.9934787750244,0.0929321274161339,14.9036674499512,0.0196875017136335,5.71408843994141,0.162514135241508,0.269167751073837,0.212592199444771,0.288088828325272,2.37808275222778,25.3666877746582,8.2546854019165,8.20251178741455,-0.347108125686646
InChI%3D1S%2FC4H8N2O%2Fc1-3-5-6%282%294-7%2Fh3-4H%2C1-2H3,1.3332554101944,0.617406249046326,16.0059261322021,0.437582790851593,3.52507853507996,11.988787651062,0.286272138357162,7.56039953231812,0.0363114215433598,4.47790145874023,0.221396833658218,0.300817370414734,0.278266310691833,0.229265406727791,1.39786958694458,15.0434055328369,6.09716796875,6.81088018417358,-0.360252618789673
InChI%3D1S%2FC4H8O%2Fc1-2-4-5-3-1%2Fh1-4H2,2.15422320365906,0.728268444538116,15.9974174499512,0.810679018497467,4.99268484115601,11.9969358444214,0.0694901272654533,3.30786228179932,0.145684495568275,1.6608407497406,0.482615292072296,0.126011848449707,0.615275859832764,0.352966368198395,1.16928684711456,7.55784368515015,3.3127429485321,5.7985143661499,-0.402844548225403
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%2C1H3,1.29279553890228,0.313066959381104,15.9959259033203,0.466931700706482,5.30177450180054,11.8500003814697,0.234621196985245,303.638366699219,0.11075296998024,27.0357227325439,4.13390636444092,0.293242812156677,0.512796819210052,0.164923280477524,6.15583848953247,1028.95971679688,37.3254699707031,11.2287511825562,-0.27872297167778
InChI%3D1S%2FC18H16N2O7S2%2Fc1-10-3-6-15%2811%282%297-10%2919-20-17-14-9-13%2828%2822%2C23%2924%295-4-12%2814%298-16%2818%2817%2921%2929%2825%2C26%2927%2Fh3-9%2C19H%2C1-2H3%2C%28H%2C22%2C23%2C24%29%28H%2C25%2C26%2C27%29,1.37335586547852,0.463104575872421,31.9730739593506,0.424662321805954,6.09752416610718,11.8500003814697,0.298532962799072,76.8217391967773,0.161026373505592,9.8158712387085,2.66341710090637,0.195090055465698,0.485588997602463,0.24552021920681,4.06096696853638,199.53092956543,16.5402545928955,12.1747999191284,-0.286190032958984
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%29,1.5635107755661,0.634495735168457,16.0059280395508,0.453275352716446,4.4594988822937,11.988697052002,0.29493373632431,23.6436290740967,0.0861461907625198,7.18649053573608,0.879863262176514,0.277714461088181,0.475739747285843,0.210234522819519,2.14725279808044,47.4345893859863,10.2136068344116,8.86913108825684,-0.355769038200378
InChI%3D1S%2FC10H12O2%2Fc1-3-10%2811%298-4-6-9%2812-2%297-5-8%2Fh3-7%2C10-11H%2C1H2%2C2H3,1.39888560771942,0.562773287296295,15.9982604980469,0.458706080913544,4.72988843917847,11.9962491989136,0.0976644158363342,19.9131374359131,0.0748704001307487,8.15365505218506,0.78243750333786,0.335159242153168,0.377406269311905,0.144917264580727,1.51446640491486,40.025577545166,10.4505586624146,8.90103912353516,-0.383834153413773
InChI%3D1S%2FC12H19N3O%2Fc1-9%282%2915-12%2816%2911-6-4-10%285-7-11%298-14-13-3%2Fh4-7%2C9%2C13-14H%2C8H2%2C1-3H3%2C%28H%2C15%2C16%29,1.61805844306946,0.591377735137939,15.9949188232422,0.612649619579315,4.97613048553467,11.8900003433228,0.231248423457146,46.2780723571777,0.086143396794796,11.5485649108887,1.31631326675415,0.316828936338425,0.414031118154526,0.15808467566967,2.41561126708984,98.279541015625,15.2804889678955,9.11466121673584,-0.275052219629288
InChI%3D1S%2FC19H30O5%2Fc1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18%2823-15-24-19%2912-16%2817%296-4-2%2Fh12-13H%2C3-11%2C14-15H2%2C1-2H3,1.39451158046722,0.600196003913879,15.9989385604858,0.305945932865143,5.0154275894165,11.8900003433228,0.15946426987648,172.632095336914,0.0589256547391415,26.8227863311768,1.94191908836365,0.360433578491211,0.48836961388588,0.127162903547287,4.1907057762146,423.871643066406,32.9554100036621,9.76204872131348,-0.378762751817703
InChI%3D1S%2FC22H42O4%2Fc1-5-9-13-19%287-3%2917-25-21%2823%2915-11-12-16-22%2824%2926-18-20%288-4%2914-10-6-2%2Fh19-20H%2C5-18H2%2C1-4H3,1.39502561092377,0.444273918867111,15.9979372024536,0.435407668352127,4.45367765426636,11.8900003433228,0.262632638216019,113.712577819824,0.123413749039173,10.9396018981934,2.45340061187744,0.162722215056419,0.515344023704529,0.3262899518013,6.48647308349609,307.683959960938,19.8794746398926,9.01786708831787,-0.316324681043625
InChI%3D1S%2FC14H16N2%2Fc1-9-7-11%283-5-13%289%2915%2912-4-6-14%2816%2910%282%298-12%2Fh3-8H%2C15-16H2%2C1-2H3,1.59844982624054,0.611140131950378,14.0040884017944,0.584404230117798,5.93190622329712,11.8500003814697,0.109306521713734,36.7259407043457,0.0398733392357826,11.8726501464844,0.592006385326385,0.349742949008942,0.40290555357933,0.160469397902489,2.38251709938049,68.3190765380859,14.8471736907959,10.0765161514282,-0.303225100040436
InChI%3D1S%2FC5H8O2%2Fc1-3-5%286%297-4-2%2Fh3H%2C1%2C4H2%2C2H3,1.43864941596985,0.62257593870163,15.9959173202515,0.549436390399933,3.96330833435059,11.789999961853,0.285360097885132,7.54129648208618,0.0333331599831581,4.81497859954834,0.210810273885727,0.321005553007126,0.266637086868286,0.205326110124588,1.29855227470398,15.1837291717529,6.3243408203125,6.08470726013184,-0.31257238984108
InChI%3D1S%2FC6H4Cl2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H,1.43394863605499,0.585414707660675,15.9959259033203,0.565232038497925,5.89768743515015,11.8999996185303,0.248650923371315,38.7012367248535,0.00124776153825223,8.06522941589355,0.0160390604287386,0.220576986670494,0.283301919698715,0.371316254138947,4.77299785614014,52.1729316711426,12.854266166687,10.8376989364624,-0.302824527025223
InChI%3D1S%2FC4H12N2%2Fc1-2-3-4-6-5%2Fh6H%2C2-5H2%2C1H3,1.33529353141785,0.533706486225128,14.1130781173706,0.440179318189621,4.50972747802734,11.9989995956421,0.0101464251056314,6.79518413543701,0.0933504551649094,4.74420309066772,0.567953705787659,0.334827810525894,0.361407727003098,0.126879140734673,0.771945655345917,14.9592838287354,6.08410215377808,6.5732626914978,-0.375575512647629
InChI%3D1S%2FC5H6O2%2Fc6-4-5-2-1-3-7-5%2Fh1-3%2C6H%2C4H2,,,16.0007247924805,,3.99474692344666,11.9939661026001,0.169376835227013,,,,,,,,,,,6.64411687850952,-0.404704570770264
InChI%3D1S%2FC6H15NO3%2Fc8-4-1-7%282-5-9%293-6-10%2Fh8-10H%2C1-6H2,1.43965184688568,0.482356697320938,15.9987030029297,0.468110382556915,4.09075975418091,11.9963550567627,0.0819768831133842,11.6420707702637,0.156310454010963,3.02826952934265,0.965489327907562,0.117702282965183,0.489184737205505,0.353419840335846,2.18298316001892,24.2013378143311,6.17674207687378,8.26262950897217,-0.419871896505356
InChI%3D1S%2FC4H8Cl2O%2Fc5-1-3-7-4-2-6%2Fh1-4H2,1.7389794588089,0.535807371139526,34.9701538085938,0.669848501682281,5.02324676513672,11.9985990524292,0.114896833896637,6.12324905395508,0.0708532556891441,4.76127862930298,0.423481166362762,0.347462356090546,0.533323526382446,0.13253028690815,0.792117178440094,13.6972808837891,5.97687673568726,6.6621527671814,-0.377215027809143
InChI%3D1S%2FC18H12O6%2Fc1-21-11-7-12-13%288-5-6-22-18%288%2924-12%2917-15%2811%2916%2820%2914-9%2819%293-2-4-10%2814%2923-17%2Fh2-8%2C18-19H%2C1H3,1.21645295619965,0.519795477390289,15.9999418258667,0.43687903881073,5.18460464477539,11.8500003814697,0.26998382806778,62.0913429260254,0.0335822887718678,9.39412307739258,0.52659809589386,0.199312508106232,0.259778439998627,0.367334365844727,5.76010704040527,106.26700592041,15.6808280944824,10.8165636062622,-0.385234475135803
InChI%3D1S%2FC6H4ClNO2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H,1.1812549829483,0.467785239219666,34.9688529968262,0.526145160198212,3.53151726722717,11.9989995956421,0.175369933247566,6.93980693817139,1.25649057736155e-06,3.59542727470398,6.94286381985876e-06,0.238014116883278,0.187324538826942,0.349313259124756,1.93016505241394,12.4654541015625,5.52559947967529,8.33725643157959,-0.275413900613785
InChI%3D1S%2FC15H12N2O2%2Fc18-13-15%2817-14%2819%2916-13%2C11-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H%2C%28H2%2C16%2C17%2C18%2C19%29,1.27307593822479,0.46223446726799,15.9959239959717,0.33573967218399,5.12747764587402,11.8500003814697,0.26398441195488,39.1984710693359,0.180475026369095,5.74482917785645,2.04194402694702,0.130812913179398,0.47510176897049,0.311774432659149,3.52750134468079,91.8925247192383,11.3142747879028,12.5015048980713,-0.345643043518066
InChI%3D1S%2FC10H10N2%2Fc11-9-5-1-3-7-8%289%294-2-6-10%287%2912%2Fh1-6H%2C11-12H2,1.28865587711334,0.553087174892426,14.0040845870972,0.543776333332062,6.12990617752075,11.8500003814697,0.126750335097313,15.9191932678223,0.00158510729670525,4.82216691970825,0.0128626255318522,0.195689648389816,0.191792398691177,0.404162019491196,3.27964234352112,24.2372875213623,8.11467170715332,9.69633007049561,-0.302935808897018
InChI%3D1S%2FC8H6N4O4S%2Fc13-4-9-11-8-10-5%283-17-8%296-1-2-7%2816-6%2912%2814%2915%2Fh1-4H%2C%28H%2C9%2C13%29%28H%2C10%2C11%29,,,31.9720726013184,,3.41172909736633,11.9989995956421,0.277929544448853,,,,,,,,,,,10.134165763855,-0.349673211574554
InChI%3D1S%2FC11H16N4O4%2Fc16-8-4-14%285-9%2817%2912-8%292-1-3-15-6-10%2818%2913-11%2819%297-15%2Fh1-7H2%2C%28H%2C12%2C16%2C17%29%28H%2C13%2C18%2C19%29,1.2848447561264,0.494073092937469,15.9979333877563,0.457291007041931,4.39067077636719,11.994402885437,0.283178865909576,27.2164707183838,0.0909675732254982,7.45966672897339,0.982260763645172,0.268132120370865,0.333480685949326,0.218189597129822,2.35599422454834,55.2775573730469,10.7979211807251,8.95776844024658,-0.347937911748886
InChI%3D1S%2FC10H14N2O2%2Fc1-3-14-10-5-4-8%286-9%2810%2911%2912-7%282%2913%2Fh4-6H%2C3%2C11H2%2C1-2H3%2C%28H%2C12%2C13%29,1.02437567710876,0.169211328029633,15.9982624053955,0.485964626073837,4.73648548126221,11.9962491989136,0.161145329475403,132.282897949219,0.017797889187932,24.1396045684814,0.525286853313446,0.363427698612213,0.369199752807617,0.164298534393311,4.8491063117981,223.284622192383,29.5139980316162,8.71209526062012,-0.371994137763977
InChI%3D1S%2FC6H8N2O%2Fc7-4-1-2-6%289%295%288%293-4%2Fh1-3%2C9H%2C7-8H2,1.27217924594879,0.55563223361969,15.9949169158936,0.529179155826569,4.93480730056763,11.8500003814697,0.163956075906754,9.17852973937988,0.00728201493620872,3.99388480186462,0.0456333644688129,0.227997794747353,0.187367871403694,0.355387598276138,2.22706651687622,15.8510074615479,6.26658487319946,7.89214658737183,-0.358840972185135
InChI%3D1S%2FC7H6O3%2Fc8-5-1-2-6-7%283-5%2910-4-9-6%2Fh1-3%2C8H%2C4H2,1.10678625106812,0.542902946472168,15.996919631958,0.438883274793625,4.73680686950684,11.8500003814697,0.215978667140007,8.58663368225098,0.016303850337863,4.45892429351807,0.103420779109001,0.277197986841202,0.125000014901161,0.280765503644943,1.78098952770233,15.7512626647949,6.34333419799805,7.54720163345337,-0.3603635430336
InChI%3D1S%2FC10H10O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh2%2C4-6H%2C1%2C3%2C7H2,1.3218195438385,0.549465775489807,15.9959192276001,0.424550950527191,5.35444307327271,11.8500003814697,0.206222757697105,17.184419631958,0.0585163421928883,7.42910146713257,0.56286609172821,0.32925483584404,0.347802758216858,0.169143885374069,1.6269873380661,33.6067657470703,9.6189546585083,8.81363296508789,-0.316523164510727
InChI%3D1S%2FC7H8N2O3%2Fc1-12-7-3-2-5%289%2810%2911%294-6%287%298%2Fh2-4H%2C8H2%2C1H3,1.04635751247406,0.482889980077744,16.0169315338135,0.448160439729691,3.57327485084534,11.9989995956421,0.175470590591431,14.6326036453247,0.0107175651937723,5.48310899734497,0.0869353488087654,0.256976544857025,0.115307100117207,0.313313722610474,2.54143905639648,23.955530166626,8.11148357391357,8.158766746521,-0.372166901826859
InChI%3D1S%2FC10H9N%2Fc11-10-6-5-8-3-1-2-4-9%288%297-10%2Fh1-7H%2C11H2,1.29734599590302,0.534921705722809,14.0030794143677,0.518639087677002,5.73497915267944,11.8500003814697,0.123880438506603,13.1280736923218,0.000838248117361218,5.75261259078979,0.00673285825178027,0.287154853343964,0.243785187602043,0.282955288887024,2.27271342277527,21.2481594085693,8.03205871582031,9.15949249267578,-0.302460759878159
InChI%3D1S%2FC8H8O%2Fc1-2-4-7%285-3-1%298-6-9-8%2Fh1-5%2C8H%2C6H2,1.19331073760986,0.561763823032379,15.9974184036255,0.425474286079407,5.11977910995483,11.9967775344849,0.106728918850422,9.1649227142334,0.0564899146556854,4.4964599609375,0.362088769674301,0.276123702526093,0.2060726583004,0.242011830210686,1.55124616622925,18.1003284454346,6.40979480743408,8.1713809967041,-0.388844400644302
InChI%3D1S%2FC2H3F%2Fc1-2-3%2Fh2H%2C1H2,1.30196106433868,0.534681797027588,34.9688529968262,0.430401682853699,4.83738660812378,11.9961862564087,0.294689565896988,92.4774703979492,0.0712687745690346,15.4328184127808,1.49859309196472,0.300455272197723,0.336877584457397,0.194790855050087,4.09593439102173,208.233612060547,21.0273456573486,12.3442010879517,-0.36176261305809
InChI%3D1S%2FC15H24O%2Fc1-10-8-11%2814%282%2C3%294%2913%2816%2912%289-10%2915%285%2C6%297%2Fh8-9%2C16H%2C1-7H3,1.33710312843323,0.58217841386795,15.9949188232422,0.374735742807388,6.2446436882019,11.8900003433228,0.0809597671031952,39.476146697998,0.0903858989477158,7.48358726501465,1.1047135591507,0.209221377968788,0.380188941955566,0.297318935394287,3.63388824462891,81.7404861450195,12.222188949585,10.7237062454224,-0.359840601682663
InChI%3D1S%2FC24H12O2%2Fc25-23-17-7-3-1-5-13%2817%2915-9-11-20-22-16%2810-12-19%2823%2921%2815%2922%2914-6-2-4-8-18%2814%2924%2820%2926%2Fh1-12H,1.11454236507416,0.523403942584991,15.9959268569946,0.507134675979614,5.91391229629517,11.8500003814697,0.175849720835686,54.2942695617676,0.00861187744885683,14.2787590026855,0.155375063419342,0.343564927577972,0.0840037241578102,0.199968203902245,3.60781645774841,80.3403854370117,18.0419502258301,12.4715404510498,-0.293625175952911
InChI%3D1S%2FC8H18O%2Fc1-3-5-6-8%284-2%297-9%2Fh8-9H%2C3-7H2%2C1-2H3,1.23831725120544,0.519462943077087,15.9979429244995,0.365081876516342,4.37945222854614,11.9962921142578,0.0723837167024612,16.9622344970703,0.07172791659832,5.87760972976685,0.613188445568085,0.26565146446228,0.35377237200737,0.240736812353134,2.05801367759705,32.9282989501953,8.54881191253662,8.34881782531738,-0.421305805444717
InChI%3D1S%2FC15H16N4O%2Fc1-3-19-15-13%2810%282%2918-19%2917-12%2820%299-16-14%2815%2911-7-5-4-6-8-11%2Fh4-8H%2C3%2C9H2%2C1-2H3%2C%28H%2C17%2C20%29,1.17885196208954,0.411848843097687,15.9949207305908,0.288743734359741,5.32110548019409,11.8500003814697,0.157709419727325,40.4250106811523,0.14851501584053,7.3846230506897,1.80273795127869,0.206275701522827,0.478259325027466,0.243117392063141,2.95106172561646,91.8495635986328,12.1384229660034,11.6757907867432,-0.346929401159286
InChI%3D1S%2FCH5N3O%2Fc2-1%285%294-3%2Fh3H2%2C%28H3%2C2%2C4%2C5%29,1.29658722877502,0.592710018157959,15.9979429244995,0.459877908229828,4.0774974822998,11.9969720840454,0.241836562752724,2.60922360420227,0.0433515720069408,2.40089058876038,0.148822367191315,0.274529963731766,0.243999302387238,0.25727516412735,0.883204340934753,6.35771560668945,3.43291735649109,5.55325508117676,-0.356193482875824
InChI%3D1S%2FC12H14O4%2Fc1-2-9%2813-5-11-7-15-11%294-10%283-1%2914-6-12-8-16-12%2Fh1-4%2C11-12H%2C5-8H2,1.29277086257935,0.568043351173401,15.9989681243896,0.394368231296539,4.70726680755615,11.996711730957,0.107248842716217,44.7316780090332,0.0310302451252937,12.8925876617432,0.504258215427399,0.345022767782211,0.330359280109406,0.175606042146683,2.85369277000427,79.5346221923828,16.2505378723145,8.2209587097168,-0.391443938016891
InChI%3D1S%2FC3H8N2O%2Fc1-2-5%284%293-6%2Fh3H%2C2%2C4H2%2C1H3,1.45140528678894,0.542349457740784,16.0059242248535,0.455367386341095,3.48014998435974,11.9888429641724,0.280887871980667,4.81167078018188,0.147259965538979,2.12795805931091,0.592812418937683,0.146453067660332,0.453688412904739,0.324135959148407,1.30484759807587,10.4833278656006,4.02561807632446,6.63375473022461,-0.361410588026047
InChI%3D1S%2FC12H13NO4S2%2Fc1-2-18%2814%2C15%2911-7-8-12%2819%2813%2C16%2917%2910-6-4-3-5-9%2810%2911%2Fh3-8H%2C2H2%2C1H3%2C%28H2%2C13%2C16%2C17%29,1.40036070346832,0.526431739330292,31.9751644134521,0.441306293010712,6.77820587158203,11.9989995956421,0.322378873825073,46.2480697631836,0.0935548692941666,6.94019794464111,1.19746661186218,0.156664371490479,0.432622700929642,0.36422598361969,4.66195344924927,97.7915802001953,12.799617767334,12.8143854141235,-0.290040284395218
InChI%3D1S%2FC14H9Cl5%2Fc15-11-5-1-9%282-6-11%2913%2814%2817%2C18%2919%2910-3-7-12%2816%298-4-10%2Fh1-8%2C13H,1.4256089925766,0.488734126091003,34.9729804992676,0.495727837085724,6.19721698760986,11.9985179901123,0.306619226932526,30.7453536987305,0.156951710581779,6.83490562438965,1.69137108325958,0.225686639547348,0.441147029399872,0.208799436688423,2.25010180473328,67.5337219238281,10.7763786315918,13.3603820800781,-0.144389227032661
InChI%3D1S%2FC2H2Cl2%2Fc1-2%283%294%2Fh1H2,1.89989244937897,0.799565613269806,34.9701538085938,0.570654392242432,5.76896047592163,11.998706817627,0.201657861471176,1.40313923358917,6.94885884944263e-11,1.47987878322601,1.6871992691847e-10,0.207124516367912,0.529672503471375,0.390500634908676,0.948144733905792,3.83116269111633,2.42802357673645,7.83088684082031,-0.148938372731209
InChI%3D1S%2FC7H8ClN%2Fc1-5-2-3-6%288%294-7%285%299%2Fh2-4H%2C9H2%2C1H3,1.14815366268158,0.491806179285049,34.9688529968262,0.51907080411911,5.96118974685669,11.9935121536255,0.074270598590374,9.15511131286621,0.0169603433459997,3.54044651985168,0.102716915309429,0.188441842794418,0.137276634573936,0.398450553417206,2.41313576698303,16.0889797210693,6.05629920959473,8.62907695770264,-0.336401283740997
InChI%3D1S%2FC18H20O2%2Fc1-3-17%2813-5-9-15%2819%2910-6-13%2918%284-2%2914-7-11-16%2820%2912-8-14%2Fh5-12%2C19-20H%2C3-4H2%2C1-2H3,1.04161715507507,0.379020810127258,15.9959239959717,0.181095451116562,4.86094284057617,11.8500003814697,0.108995750546455,70.0257415771484,0.0992375761270523,11.4551439285278,1.68704128265381,0.255373269319534,0.481500893831253,0.226931393146515,3.85783934593201,161.579666137695,17.0000247955322,11.5337781906128,-0.361398875713348
InChI%3D1S%2FC8H12N2%2Fc9-10-7-6-8-4-2-1-3-5-8%2Fh1-5%2C10H%2C6-7%2C9H2,1.27516853809357,0.52584034204483,14.0040817260742,0.372882485389709,4.67864465713501,11.8500003814697,0.0898644328117371,14.2324361801147,0.0692156851291656,7.06777048110962,0.620796322822571,0.341015785932541,0.376445680856705,0.142763271927834,1.28044545650482,28.8195896148682,8.96901226043701,8.53838157653809,-0.271078318357468
InChI%3D1S%2FC11H10N4%2Fc1-15-9-5-4-8-7%283-2-6-13-8%2910%289%2914-11%2815%2912%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29,1.17683780193329,0.53300952911377,14.0060968399048,0.530313193798065,5.75915718078613,11.8500003814697,0.158499091863632,26.3775901794434,0.0156964678317308,8.81089019775391,0.18438720703125,0.312538385391235,0.113515064120293,0.234252348542213,2.75177454948425,42.59521484375,11.7470512390137,10.1422071456909,-0.278246968984604
InChI%3D1S%2FH2O4S%2Fc1-5%282%2C3%294%2Fh%28H2%2C1%2C2%2C3%2C4%29,,,31.972827911377,,5.05649995803833,15.9933319091797,0.41275629401207,,,,,,,,,,,6.1619930267334,-0.281596809625626
InChI%3D1S%2FC7H14N2O%2Fc1-3-4-5-6-8-9%282%297-10%2Fh6-7H%2C3-5H2%2C1-2H3,1.21491646766663,0.557511925697327,16.0059261322021,0.334384918212891,3.59479236602783,11.9886617660522,0.286287516355515,28.2079048156738,0.0566820353269577,8.5170316696167,0.659683167934418,0.298857480287552,0.323019564151764,0.211508005857468,2.4615957736969,53.6767959594727,11.6383104324341,7.23639535903931,-0.360255867242813
InChI%3D1S%2FC20H38N6O4%2Fc1-12%282%299-16%2824-14%285%2928%2919%2830%2926-17%2810-13%283%294%2918%2829%2925-15%2811-27%297-6-8-23-20%2821%2922%2Fh11-13%2C15-17H%2C6-10H2%2C1-5H3%2C%28H%2C24%2C28%29%28H%2C25%2C29%29%28H%2C26%2C30%29%28H4%2C21%2C22%2C23%29,1.39885008335114,0.564698934555054,15.9979467391968,0.363116860389709,4.13136148452759,11.9932918548584,0.169669419527054,120.145805358887,0.140294417738914,15.4222640991211,3.14621043205261,0.265777051448822,0.471034318208694,0.172002851963043,3.85729670524597,329.734130859375,22.4257717132568,10.5796794891357,-0.349283844232559
InChI%3D1S%2FC14H10Cl4%2Fc15-11-5-1-9%282-6-11%2913%2814%2817%2918%2910-3-7-12%2816%298-4-10%2Fh1-8%2C13-14H,1.37944197654724,0.477063685655594,34.9720077514648,0.387887626886368,6.16665410995483,11.9985179901123,0.204974785447121,31.1229820251465,0.133206844329834,6.99422407150269,1.4557147026062,0.230010896921158,0.51449066400528,0.226778626441956,2.47828841209412,67.2841415405273,10.9282274246216,12.3823804855347,-0.178918287158012
InChI%3D1S%2FC14H9Cl5O%2Fc15-11-5-1-9%282-6-11%2913%2820%2C14%2817%2C18%2919%2910-3-7-12%2816%298-4-10%2Fh1-8%2C20H,1.3826539516449,0.471932739019394,34.9729804992676,0.404199093580246,6.2119197845459,11.9985179901123,0.330760270357132,33.0267333984375,0.142199277877808,6.71311855316162,1.56401658058167,0.207763984799385,0.506522119045258,0.247448742389679,2.72163081169128,72.60107421875,10.9987659454346,13.8308811187744,-0.374137967824936
InChI%3D1S%2FC2H5N5O3%2Fc1-6%285-8%292%283%294-7%289%2910%2Fh1H3%2C%28H2%2C3%2C4%29,1.38331401348114,0.513854742050171,16.0169334411621,0.415695130825043,3.15979909896851,11.9989995956421,0.237160116434097,6.67948961257935,0.0468150712549686,3.83668518066406,0.256759285926819,0.27465882897377,0.453764170408249,0.253639847040176,1.39109861850739,13.5344104766846,5.48454332351685,7.2362585067749,-0.275765091180801
InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-4-10-14%2812%2911%286-3-9%295-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29,1.19257771968842,0.445571184158325,34.970157623291,0.378530144691467,4.2667441368103,11.9985513687134,0.328908264636993,24.2705402374268,0.118957713246346,4.66534519195557,1.08157813549042,0.134839579463005,0.368476450443268,0.367922842502594,3.34519958496094,50.2423248291016,9.09212303161621,8.28582668304443,-0.30292597413063
InChI%3D1S%2FC14H14N2%2Fc1-2-16-13-6-4-3-5-11%2813%2912-9-10%2815%297-8-14%2812%2916%2Fh3-9H%2C2%2C15H2%2C1H3,0.710824012756348,0.042960848659277,14.0040884017944,0.478929430246353,5.90457057952881,11.8500003814697,0.148732721805573,350.698486328125,0.00581535324454308,55.0829772949219,0.357126653194427,0.422717183828354,0.188933730125427,0.0972283855080605,5.97089195251465,529.566467285156,61.4109954833984,10.4951543807983,-0.302486836910248
InChI%3D1S%2FC6H10N3O6P%2Fc1-5-7-4-6%289%2810%2911%298%285%292-3-15-16%2812%2C13%2914%2Fh4H%2C2-3H2%2C1H3%2C%28H2%2C12%2C13%2C14%29,1.48149764537811,0.460162907838821,,0.570553064346313,,,,31.3583698272705,0.118590615689754,5.8078875541687,1.24220097064972,0.165851160883904,0.450781643390656,0.326941162347794,3.42461037635803,66.5401382446289,10.4746990203857,,
InChI%3D1S%2FC20H18ClNO6%2Fc1-10-7-12-14%2821%299-13%2817%2823%2916%2812%2920%2827%2928-10%2918%2824%2922-15%2819%2825%2926%298-11-5-3-2-4-6-11%2Fh2-6%2C9-10%2C15%2C23H%2C7-8H2%2C1H3%2C%28H%2C22%2C24%29%28H%2C25%2C26%29,1.30268847942352,0.517807483673096,34.9688529968262,0.333646446466446,4.46844434738159,11.9966526031494,0.312695205211639,247.64697265625,0.0748568624258041,14.8170080184937,2.21896266937256,0.124889619648457,0.451234519481659,0.425290316343307,12.6067705154419,691.780029296875,29.6427421569824,10.5890645980835,-0.35898420214653
InChI%3D1S%2FC15H23ClO4S%2Fc1-12%2820-21%2817%2919-10-9-16%2911-18-14-7-5-13%286-8-14%2915%282%2C3%294%2Fh5-8%2C12H%2C9-11H2%2C1-4H3,1.34311676025391,0.481930881738663,34.9693794250488,0.488380402326584,5.29558801651001,11.9985160827637,0.305258810520172,86.1235656738281,0.171848654747009,11.2563848495483,3.08045768737793,0.220967650413513,0.37280547618866,0.200194492936134,3.58856868743896,228.481948852539,17.9254112243652,9.65967178344727,-0.342834740877151
InChI%3D1S%2FC9H7N7O2S%2Fc1-15-4-14-7%2816%2817%2918%299%2815%2919-8-5-6%2811-2-10-5%2912-3-13-8%2Fh2-4H%2C1H3%2C%28H%2C10%2C11%2C12%2C13%29,1.52073204517365,0.626926779747009,31.9720726013184,0.49964252114296,3.82044148445129,11.8500003814697,0.300104588270187,35.2267189025879,0.0544435009360313,7.84830236434937,0.655569076538086,0.238837540149689,0.394162774085999,0.293773114681244,3.53740239143372,65.4682998657227,12.0412740707397,11.2368860244751,-0.266490250825882
InChI%3D1S%2FC8H8%2Fc1-2-8-6-4-3-5-7-8%2Fh2-7H%2C1H2,1.2485568523407,0.524322986602783,12.1500825881958,0.494474709033966,5.47908926010132,11.8500003814697,0.0922131165862083,8.34997367858887,0.00882176402956247,4.51864719390869,0.055970698595047,0.284151405096054,0.229759141802788,0.27897635102272,1.76999759674072,15.1422424316406,6.34461545944214,8.29837989807129,-0.207942187786102
InChI%3D1S%2FCH3NO2%2Fc1-2%283%294%2Fh1H3,1.65189468860626,0.810371577739716,16.0168685913086,0.555809199810028,2.50187182426453,11.9999990463257,0.166402727365494,1.08309626579285,0.11072039604187,1.24412643909454,0.223235890269279,0.212795779109001,0.285713851451874,0.272218555212021,0.548850536346436,3.25174331665039,2.01621294021606,3.71501851081848,-0.280141919851303
InChI%3D1S%2FC8H5N3O4S%2Fc12-4-9-8-10-5%283-16-8%296-1-2-7%2815-6%2911%2813%2914%2Fh1-4H%2C%28H%2C9%2C10%2C12%29,,,31.9720726013184,,3.40983009338379,11.9989995956421,0.277933925390244,,,,,,,,,,,9.89373207092285,-0.350755363702774
InChI%3D1S%2FC2H8N2%2Fc1-2-4-3%2Fh4H%2C2-3H2%2C1H3,1.33921205997467,0.55108505487442,14.113076210022,0.515893220901489,4.27146291732788,11.9989995956421,0.0072840116918087,2.96702408790588,0.104195281863213,2.14021182060242,0.352221637964249,0.22484302520752,0.272233784198761,0.262680679559708,0.887965500354767,7.01679706573486,3.38039898872375,5.50450658798218,-0.375708431005478
InChI%3D1S%2FC6H7ClN2%2Fc7-5-2-1-4%288%293-6%285%299%2Fh1-3H%2C8-9H2,1.5419203042984,0.548725485801697,34.9688529968262,0.526164293289185,5.66568040847778,11.8500003814697,0.160536900162697,8.76657199859619,0.00258109043352306,3.83474016189575,0.015774417668581,0.220594793558121,0.46703052520752,0.369959205389023,2.26101756095886,15.014874458313,6.11153221130371,8.88063430786133,-0.302876174449921
InChI%3D1S%2FC6H11Cl3O3%2Fc7-3-10-1-6%2812-5-9%292-11-4-8%2Fh6H%2C1-5H2,1.43169176578522,0.506697952747345,34.9710578918457,0.430259764194489,4.92080450057983,11.9985628128052,0.184893444180489,20.1769428253174,0.0733686685562134,5.40578174591064,0.646281898021698,0.21026548743248,0.494733989238739,0.312944024801254,2.75662708282471,38.6163482666016,8.80869102478027,8.30350685119629,-0.357339948415756
InChI%3D1S%2FC8H10N2O%2Fc1-6-2-4-7%285-3-6%2910-8%289%2911%2Fh2-5H%2C1H3%2C%28H3%2C9%2C10%2C11%29,1.27760434150696,0.592748939990997,15.9979438781738,0.456133544445038,4.61589288711548,11.9962921142578,0.232823744416237,14.4875230789185,0.0575695969164371,6.64257621765137,0.501185595989227,0.322258681058884,0.228721842169762,0.179418817162514,1.56197249889374,28.3933200836182,8.70573425292969,8.52332019805908,-0.357173413038254
InChI%3D1S%2FC13H13N3O%2Fc1-17-13-9-11%287-8-12%2813%2914%2916-15-10-5-3-2-4-6-10%2Fh2-9H%2C14H2%2C1H3,1.14465439319611,0.578566789627075,15.9949197769165,0.269686669111252,4.93019866943359,11.8500003814697,0.104167252779007,52.6515159606934,0.0478850640356541,12.9140291213989,0.804431021213531,0.326546460390091,0.296400904655457,0.183386325836182,3.08074450492859,101.454864501953,16.7992038726807,8.78825092315674,-0.347041964530945
InChI%3D1S%2FC2H4Cl2O%2Fc3-1-5-2-4%2Fh1-2H2,1.97652328014374,0.727135062217712,34.9701538085938,0.498905897140503,4.77278184890747,11.998706817627,0.186238631606102,2.52887272834778,0.145248964428902,1.98285531997681,0.451064944267273,0.228879481554031,0.750482261180878,0.216245055198669,0.671540558338165,6.23495721817017,3.10546088218689,6.16513395309448,-0.337501972913742
InChI%3D1S%2FC6H7N3O%2Fc7-9-6%2810%295-1-3-8-4-2-5%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29,1.3582661151886,0.566859304904938,15.9949178695679,0.489945411682129,4.60374212265015,11.8500003814697,0.244296982884407,9.62580108642578,0.0172022040933371,5.25497579574585,0.121243730187416,0.309186667203903,0.301461309194565,0.237215578556061,1.67193114757538,17.7391948699951,7.04815053939819,8.39600563049316,-0.27377125620842
InChI%3D1S%2FC26H29NO%2Fc1-4-25%2821-11-7-5-8-12-21%2926%2822-13-9-6-10-14-22%2923-15-17-24%2818-16-23%2928-20-19-27%282%293%2Fh5-18H%2C4%2C19-20H2%2C1-3H3,1.1786105632782,0.417075127363205,34.9789161682129,0.392015546560287,9.57581233978271,11.9985313415527,0.226789236068726,15.5255508422852,0.248910829424858,2.98850393295288,1.72098326683044,0.0741770192980766,0.369519859552383,0.318853139877319,2.2045681476593,33.7780647277832,6.91405534744263,17.1881408691406,-0.189911141991615
InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298,1.88407158851624,0.88405966758728,34.9739570617676,0.500006318092346,8.03598403930664,11.998706817627,0.357137441635132,4.14621496200562,0.284953147172928,1.53310132026672,1.01574110984802,0.0725689083337784,0.500005602836609,0.284954994916916,1.01574778556824,9.29256248474121,3.56459021568298,12.6744661331177,-0.136371359229088
InChI%3D1S%2FC9H8N4O2S%2Fc10-12-9-11-8%285-16-9%296-1-3-7%284-2-6%2913%2814%2915%2Fh1-5H%2C10H2%2C%28H%2C11%2C12%29,1.34542417526245,0.523413062095642,31.9720726013184,0.529175221920013,3.58039736747742,11.9989995956421,0.191225305199623,23.7033939361572,0.0731416344642639,8.49245834350586,0.812660753726959,0.323257923126221,0.29283595085144,0.162514463067055,1.80566275119781,47.275936126709,11.1107816696167,10.1661405563354,-0.275425553321838
InChI%3D1S%2FC12H14N4%2Fc13-9-3-1-7%285-11%289%2915%298-2-4-10%2814%2912%2816%296-8%2Fh1-6H%2C13-16H2,1.6562614440918,0.586880922317505,14.0060987472534,0.554913699626923,5.88872241973877,11.8500003814697,0.151954084634781,32.706127166748,0.0425009578466415,11.6145725250244,0.608640015125275,0.358278870582581,0.514466762542725,0.146460562944412,2.09740567207336,61.8535041809082,14.3206176757812,10.0137023925781,-0.302005261182785
InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H,1.1469920873642,0.343082278966904,78.9185180664062,0.400000005960464,6.52099990844727,11.9998188018799,0.27433830499649,1.46457898616791,0.225775614380836,0.834335446357727,0.479559868574142,0.0446023270487785,0.403909802436829,0.381421267986298,0.810159802436829,3.91279029846191,2.12405514717102,9.64176177978516,-0.125714510679245
InChI%3D1S%2FC7H7NO3%2Fc1-11-7-5-3-2-4-6%287%298%289%2910%2Fh2-5H%2C1H3,1.14395499229431,0.500700235366821,16.0169315338135,0.427003592252731,3.60853624343872,11.9989995956421,0.189124897122383,12.2520742416382,0.0310428943485022,3.99641823768616,0.214717879891396,0.183337405323982,0.216251164674759,0.391173899173737,2.70567655563354,21.4906349182129,6.91681241989136,7.89644336700439,-0.371313691139221
InChI%3D1S%2FC7H9NO%2Fc1-9-7-5-3-2-4-6%287%298%2Fh2-5H%2C8H2%2C1H3,1.08294761180878,0.516594529151917,15.9949169158936,0.441991031169891,4.79683923721313,11.9935121536255,0.0929016619920731,10.9264860153198,0.0148865655064583,4.05665826797485,0.0995612218976021,0.204918891191483,0.124362111091614,0.378554910421371,2.53177189826965,18.6370239257812,6.68799114227295,7.8891978263855,-0.347105711698532
InChI%3D1S%2FC7H8N2O2%2Fc8-9-6-3-1-5%282-4-6%297%2810%2911%2Fh1-4%2C9H%2C8H2%2C%28H%2C10%2C11%29,1.2490496635437,0.502009868621826,15.9982604980469,0.478689193725586,4.09343147277832,11.996319770813,0.309630632400513,11.3772392272949,0.002224110532552,6.70872211456299,0.0186824221163988,0.348996460437775,0.268350660800934,0.199113950133324,1.67254757881165,19.9868202209473,8.39995193481445,8.10157012939453,-0.346704214811325
InChI%3D1S%2FCCl4%2Fc2-1%283%2C4%295,1.5863926410675,0.670452058315277,34.9720077514648,0.440622121095657,6.91758489608765,11.999472618103,0.399312883615494,1.9851222038269,0.333323657512665,0.813475370407104,0.813430368900299,6.57484633848071e-06,0.475318491458893,0.333334237337112,0.813456177711487,4.96375274658203,2.44036197662354,10.4394407272339,-0.118298806250095
InChI%3D1S%2FC4H8O2%2Fc1-2-6-4-3-5-1%2Fh1-4H2,1.67118918895721,0.668681919574738,15.9977836608887,0.687775790691376,5.14009809494019,11.9969358444214,0.0921870470046997,3.83652901649475,0.167806342244148,1.92968153953552,0.60212504863739,0.153337463736534,0.314731448888779,0.29441037774086,1.05640745162964,8.65219306945801,3.58821415901184,5.4162769317627,-0.39736932516098
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%29,1.12706506252289,0.550586640834808,15.9982614517212,0.34458589553833,4.70232963562012,11.9962491989136,0.161129385232925,22.7844333648682,0.033946804702282,12.9402732849121,0.497464776039124,0.412279427051544,0.231892541050911,0.0830139592289925,1.21650695800781,45.2697372436523,14.6542453765869,8.43958759307861,-0.371988624334335
InChI%3D1S%2FC17H21N3%2Fc1-19%282%2915-9-5-13%286-10-15%2917%2818%2914-7-11-16%2812-8-14%2920%283%294%2Fh5-12%2C18H%2C1-4H3,1.42667245864868,0.599595308303833,14.0095205307007,0.382828831672668,6.01162242889404,11.9933195114136,0.0691192895174026,70.7339553833008,0.0626068860292435,16.5944862365723,1.29235541820526,0.352927625179291,0.44424831867218,0.13348962366581,2.75554418563843,150.4716796875,20.6423854827881,10.0454006195068,-0.319642126560211
InChI%3D1S%2FC2H4N2O2%2Fc5-1-3-4-2-6%2Fh1-2H%2C%28H%2C3%2C5%29%28H%2C4%2C6%29,1.38159501552582,0.616927564144135,15.9982585906982,0.376192420721054,3.66973209381104,11.9966878890991,0.171854048967361,2.60067081451416,2.30795809130768e-08,5.36464405059814,1.35002252932281e-07,0.437842637300491,0.388475060462952,0.0828764736652374,0.484779626131058,8.45009517669678,5.84942388534546,5.16938781738281,-0.372415870428085
InChI%3D1S%2FC14H8O4%2Fc15-9-5-1-3-7-11%289%2914%2818%2912-8%2813%287%2917%294-2-6-10%2812%2916%2Fh1-6%2C15-16H,1.38332605361938,0.584082543849945,15.9979286193848,0.536680161952972,5.49807024002075,11.8999996185303,0.252414166927338,27.0404891967773,0.0277391280978918,7.82441663742065,0.309584677219391,0.27580726146698,0.262563288211823,0.271184533834457,3.02657580375671,45.532398223877,11.1605768203735,10.1118154525757,-0.360632389783859
InChI%3D1S%2FCHBr2Cl%2Fc2-1%283%294%2Fh1H,1.37102842330933,0.552284061908722,78.91943359375,0.400000005960464,7.10049629211426,11.9998188018799,0.259139686822891,1.55374360084534,0.240105554461479,0.867635607719421,0.523782789707184,0.0482974871993065,0.41874435544014,0.362164467573166,0.790050566196442,4.0942530632019,2.18146896362305,10.7978801727295,-0.129896730184555
InChI%3D1S%2FC22H14%2Fc1-3-7-19-15%285-1%299-11-17-14-22-18%2813-21%2817%2919%2912-10-16-6-2-4-8-20%2816%2922%2Fh1-14H,1.601109623909,0.546970307826996,12.1503047943115,0.527342259883881,7.11308526992798,11.8500003814697,0.123717434704304,49.2971878051758,1.80010829353705e-06,14.8117523193359,3.26539520756342e-05,0.362393528223038,0.52679705619812,0.183473512530327,3.32820820808411,67.4387893676758,18.1399936676025,11.0158023834229,-0.178729012608528
InChI%3D1S%2FC11H10N4%2Fc1-7-3-2-6-15-10%287%2913-8-4-5-9%2812%2914-11%288%2915%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29,1.46340227127075,0.509842157363892,14.0089273452759,0.460654199123383,5.57931518554688,11.994402885437,0.109662301838398,22.4458560943604,0.124189727008343,6.17927503585815,1.16983222961426,0.241995215415955,0.4929059445858,0.219816640019417,2.07061076164246,46.8334312438965,9.41971778869629,10.248104095459,-0.295905470848083
InChI%3D1S%2FC18H22O5%2Fc1-12-6-5-8-13%2819%297-3-2-4-9-15-16%2818%2822%2923-12%2910-14%2820%2911-17%2815%2921%2Fh4%2C9-12%2C20-21H%2C2-3%2C5-8H2%2C1H3,1.29269349575043,0.437775433063507,15.9997510910034,0.457394987344742,4.75988578796387,11.9966630935669,0.310205578804016,56.2645950317383,0.0531916171312332,8.90025520324707,0.785790920257568,0.20185586810112,0.397523015737534,0.34433388710022,5.08678722381592,106.613098144531,14.7728338241577,10.3780612945557,-0.361301243305206
InChI%3D1S%2FC12H10Cl2N2%2Fc13-9-5-7%281-3-11%289%2915%298-2-4-12%2816%2910%2814%296-8%2Fh1-6H%2C15-16H2,1.33278095722198,0.53880363702774,34.970157623291,0.492824405431747,6.11198806762695,11.9985237121582,0.136612713336945,23.9877910614014,0.000727261474821717,10.9341974258423,0.0095461243763566,0.374757766723633,0.301152884960175,0.166262373328209,2.18238043785095,37.3417091369629,13.1261234283447,10.3384552001953,-0.301806002855301
InChI%3D1S%2FC15H15N3O2%2Fc1-10-3-8-15%2820%2914%289-10%2918-17-13-6-4-12%285-7-13%2916-11%282%2919%2Fh3-9%2C17H%2C1-2H3%2C%28H%2C16%2C19%29,1.38648164272308,0.60994154214859,16.0060291290283,0.484889149665833,4.72460412979126,11.9884796142578,0.282760590314865,56.177131652832,0.0326497033238411,19.0140819549561,0.714618742465973,0.401540577411652,0.291650950908661,0.0986295342445374,2.15874910354614,107.397277832031,21.8874492645264,9.48136520385742,-0.36407682299614
InChI%3D1S%2FC12H11ClN2O5S%2Fc13-9-5-10%2815-6-7-2-1-3-20-7%298%2812%2816%2917%294-11%289%2921%2814%2C18%2919%2Fh1-5%2C15H%2C6H2%2C%28H%2C16%2C17%29%28H2%2C14%2C18%2C19%29,,,34.9688529968262,,4.66960048675537,11.9989995956421,0.268666207790375,,,,,,,,,,,12.252366065979,-0.363529711961746
InChI%3D1S%2FC6H6ClN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,1.31951749324799,0.471437454223633,34.9688529968262,0.49763548374176,5.52943229675293,11.8500003814697,0.111129604279995,6.33330726623535,0.00149517063982785,3.42251229286194,0.00787770375609398,0.237188905477524,0.350444585084915,0.348919630050659,1.83837568759918,11.6516380310059,5.26876592636108,8.33563137054443,-0.302465289831161
InChI%3D1S%2FC8H6N4O4%2Fc9-8-10-6%2811-16-8%293-1-5-2-4-7%2815-5%2912%2813%2914%2Fh1-4H%2C%28H2%2C9%2C10%2C11%29,1.27483057975769,0.579760491847992,15.9979305267334,0.425302773714066,3.38434267044067,11.9944725036621,0.278198599815369,24.6141033172607,0.0662303641438484,9.77143669128418,0.805357217788696,0.352682054042816,0.269767254590988,0.130193561315536,1.58314573764801,49.2326011657715,12.1599397659302,8.48798274993896,-0.330374330282211
InChI%3D1S%2FC4H10N2O%2Fc1-2-3-6%285%294-7%2Fh4H%2C2-3%2C5H2%2C1H3,1.48593938350677,0.58122593164444,16.0059261322021,0.419446527957916,3.55987143516541,11.988787651062,0.280901163816452,6.84033346176147,0.102693386375904,3.9316463470459,0.567238926887512,0.283841282129288,0.485266953706741,0.185518249869347,1.02473175525665,14.6492891311646,5.52361679077148,6.94813776016235,-0.36141037940979
InChI%3D1S%2FC12H11N3%2Fc1-7-12-8-4-2-3-5-9%288%2915-10%2812%296-11%2813%2914-7%2Fh2-6%2C15H%2C1H3%2C%28H2%2C13%2C14%29,1.32851231098175,0.440320730209351,14.0050926208496,0.55866950750351,5.6653847694397,11.8999996185303,0.0990799516439438,19.7420482635498,0.0871891006827354,5.94386100769043,0.782086968421936,0.246977910399437,0.329522043466568,0.250173687934875,2.24406003952026,39.1438293457031,8.97000789642334,10.7663288116455,-0.293199598789215
InChI%3D1S%2FC4H10O%2Fc1-4%282%2C3%295%2Fh5H%2C1-3H3,1.28269064426422,0.478693604469299,15.9979419708252,0.466682016849518,4.57643604278564,11.9964618682861,0.0826524198055267,4.3080530166626,0.224285319447517,1.44341802597046,0.817402720451355,0.0470422096550465,0.337315052747726,0.379658401012421,1.38365638256073,9.58504199981689,3.64447712898254,6.86031246185303,-0.415690958499908
InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296,2.00802421569824,0.783333957195282,34.9720077514648,0.666666686534882,6.75458335876465,11.998706817627,0.246189966797829,2.36305356025696,1.33258529211311e-10,1.76284956932068,4.13544309907365e-10,0.17603911459446,0.558023631572723,0.431947857141495,1.34047377109528,5.46637678146362,3.10332345962524,9.79723739624023,-0.140288695693016
InChI%3D1S%2FC6H3Cl3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,1.38013732433319,0.470816880464554,34.9710578918457,0.438616067171097,5.6944317817688,11.9985628128052,0.150100141763687,7.01665878295898,4.75840367109015e-10,3.0636157989502,2.54761856055552e-09,0.179163172841072,0.470704406499863,0.427782446146011,2.29031944274902,12.3705940246582,5.35393524169922,9.41702556610107,-0.356718212366104
InChI%3D1S%2FC6H5NO2%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H,1.20449459552765,0.51367574930191,15.9959182739258,0.52013224363327,3.49059367179871,11.8500003814697,0.248806267976761,6.41959381103516,1.00120615798005e-07,3.35602617263794,5.27523695836862e-07,0.227714225649834,0.170686572790146,0.36304759979248,1.91285479068756,11.6884784698486,5.26888179779053,7.38454151153564,-0.132697328925133
InChI%3D1S%2FC4H6Cl2%2Fc5-3-1-2-4-6%2Fh1-2H%2C3-4H2,1.39081203937531,0.620738446712494,34.9701538085938,0.429153800010681,5.28791189193726,11.9985990524292,0.110591277480125,4.51798820495605,0.085891030728817,3.66881418228149,0.413771331310272,0.321181833744049,0.340919762849808,0.152533188462257,0.734813213348389,10.450870513916,4.81739902496338,7.25531339645386,-0.212266653776169
InChI%3D1S%2FC8H10N2O%2Fc1-7%2811%299-10-8-5-3-2-4-6-8%2Fh2-6%2C10H%2C1H3%2C%28H%2C9%2C11%29,1.08929252624512,0.360486507415771,15.9949178695679,0.482010990381241,4.56401824951172,11.8500003814697,0.151159688830376,39.8758888244629,0.0273433160036802,9.73180484771729,0.374367445707321,0.28309890627861,0.246795058250427,0.26185816526413,3.58519673347473,66.6291046142578,13.6913690567017,8.34313201904297,-0.347358137369156
InChI%3D1S%2FC16H15NO2%2Fc17-15-11-5-4-10-14%2815%2916%2818%2919-12-6-9-13-7-2-1-3-8-13%2Fh1-11H%2C12%2C17H2,1.39985728263855,0.593444585800171,15.9959239959717,0.491373032331467,4.8484673500061,11.8500003814697,0.295127302408218,47.2074699401855,0.0338082201778889,15.8209600448608,0.632700800895691,0.384042024612427,0.315039604902267,0.120802402496338,2.26074528694153,88.5517883300781,18.7144069671631,9.11202049255371,-0.307794183492661
InChI%3D1S%2FC6H6Cl2N2%2Fc7-4-1-3%289%292-5%288%296%284%2910%2Fh1-2H%2C9-10H2,1.3289430141449,0.537619769573212,34.9701538085938,0.413062900304794,5.96430492401123,11.9985628128052,0.139045834541321,9.11087322235107,0.00209996174089611,4.45455360412598,0.0136364111676812,0.264489769935608,0.378260344266891,0.311913669109344,2.02545738220215,15.7275552749634,6.49364757537842,9.51022052764893,-0.30263414978981
InChI%3D1S%2FC6H8N4O3S%2Fc1-2-7-5%2811%299-6-8-3-4%2814-6%2910%2812%2913%2Fh3H%2C2H2%2C1H3%2C%28H2%2C7%2C8%2C9%2C11%29,1.40425682067871,0.631626665592194,31.9720726013184,0.533462166786194,3.9799542427063,11.9989995956421,0.228400766849518,29.8088150024414,0.0177442785352468,8.60095596313477,0.212721928954124,0.288088947534561,0.239168018102646,0.264803797006607,3.17452073097229,47.6051559448242,11.9881982803345,10.1447868347168,-0.335782408714294
InChI%3D1S%2FC6H6ClN%2Fc7-4-6-2-1-3-8-5-6%2Fh1-3%2C5H%2C4H2,1.15701794624329,0.553925335407257,34.9693794250488,0.472245514392853,5.51820087432861,11.9985628128052,0.117882013320923,6.28298807144165,0.0442129448056221,3.49280595779419,0.229678511619568,0.254271924495697,0.130847111344337,0.283424496650696,1.47234070301056,12.6589574813843,5.19482517242432,8.31212997436523,-0.263703584671021
InChI%3D1S%2FC17H22N2O%2Fc1-17%2820-14-13-19%282%293%2C15-9-5-4-6-10-15%2916-11-7-8-12-18-16%2Fh4-12H%2C13-14H2%2C1-3H3,1.16619718074799,0.441970258951187,15.9949197769165,0.336722642183304,5.64162874221802,11.9883184432983,0.132808655500412,55.6574745178223,0.142062857747078,7.52399492263794,1.96012568473816,0.158984079957008,0.387504309415817,0.312625050544739,4.31347322463989,133.070068359375,13.7975931167603,11.7221927642822,-0.362327843904495
InChI%3D1S%2FC14H14ClN3O2S%2Fc1-8-4-3-5-10%289%288%292%2916-12-6-11%2815%2917-14%2818-12%2921-7-13%2819%2920%2Fh3-6H%2C7H2%2C1-2H3%2C%28H%2C19%2C20%29%28H%2C16%2C17%2C18%29,1.43932592868805,0.63125216960907,34.9688529968262,0.395682394504547,4.30402994155884,11.8900003433228,0.269032299518585,62.6576461791992,0.112366490066051,8.98309135437012,1.69887173175812,0.195618584752083,0.412391304969788,0.293475389480591,4.43706178665161,145.491195678711,15.1190242767334,11.4962892532349,-0.330977261066437
InChI%3D1S%2FC10H17Cl2NOS%2Fc1-7%282%2913%288%283%294%2910%2814%2915-6-9%2812%295-11%2Fh5%2C7-8H%2C6H2%2C1-4H3,1.4138081073761,0.432285696268082,34.970157623291,0.492921829223633,6.16656970977783,11.9985313415527,0.262023746967316,34.9725914001465,0.13202577829361,8.2558536529541,1.5928190946579,0.263234168291092,0.488600552082062,0.183661982417107,2.21578168869019,76.1747589111328,12.0644550323486,10.958890914917,-0.267473816871643
InChI%3D1S%2FC2H4N4%2Fc3-2-4-1-5-6-2%2Fh1H%2C%28H3%2C3%2C4%2C5%2C6%29,1.34167337417603,0.453691840171814,14.1031160354614,0.421939432621002,4.82612133026123,11.9989995956421,0.159928798675537,24.5546226501465,0.152478709816933,5.93520355224609,1.45529186725616,0.216397240757942,0.466042071580887,0.225658312439919,2.15373492240906,52.7016410827637,9.54423046112061,6.59975957870483,-0.319627285003662
InChI%3D1S%2FC3H4O2%2Fc4-3-1-2-5-3%2Fh1-2H2,1.37438440322876,0.410889565944672,15.9977836608887,0.519123613834381,3.26224732398987,11.9970207214355,0.263769000768661,1.94396364688873,0.137928113341331,1.3795872926712,0.35488623380661,0.152137041091919,0.444371193647385,0.32588917016983,0.838506281375885,4.9274730682373,2.57297992706299,5.23300647735596,-0.339681208133698
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%29,1.15893030166626,0.575762093067169,34.9698524475098,0.246110647916794,4.24156522750854,11.9885129928589,0.361884593963623,39.2895278930664,0.0673221200704575,10.8415632247925,0.959267973899841,0.320651561021805,0.337057560682297,0.171809121966362,2.44809579849243,78.9985656738281,14.248927116394,10.2970247268677,-0.333471715450287
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%29,1.28949248790741,0.525005161762238,15.9979238510132,0.471858412027359,3.89729380607605,11.8500003814697,0.283392518758774,16.7457904815674,1.33833850668452e-08,7.61132860183716,1.31310315509836e-07,0.331820279359818,0.292628884315491,0.224239602684975,2.20011401176453,26.5572357177734,9.81144237518311,8.88825702667236,-0.358746975660324
InChI%3D1S%2FC9H8O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-4H%2C5-6H2,1.22187972068787,0.570052206516266,15.9977855682373,0.522717893123627,4.12385606765747,11.9967565536499,0.266850382089615,10.586462020874,0.0332355499267578,4.53560066223145,0.225004643201828,0.252466917037964,0.129109561443329,0.296808570623398,2.0093936920166,19.4071102142334,6.7699990272522,8.57438373565674,-0.303208827972412
InChI%3D1S%2FC12H27O4P%2Fc1-4-7-10-14-17%2813%2C15-11-8-5-2%2916-12-9-6-3%2Fh4-12H2%2C1-3H3,1.03177106380463,0.0790091678500175,30.973762512207,0.512516617774963,3.51460242271423,11.8900003433228,0.453915268182755,304.007598876953,0.0355022735893726,39.3615760803223,1.66290426254272,0.380264222621918,0.440245300531387,0.124145448207855,5.81489515304565,731.458251953125,46.8393745422363,6.56926965713501,-0.284379482269287
InChI%3D1S%2FC12H12N2S%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,1.35383558273315,0.460859060287476,15.9949169158936,0.516490936279297,4.79174661636353,11.9945440292358,0.135010167956352,7.14657783508301,0.133846879005432,2.37957739830017,0.652755796909332,0.115947350859642,0.376485645771027,0.378223329782486,1.84455156326294,14.8885726928711,4.87688493728638,7.09578466415405,-0.348282009363174
InChI%3D1S%2FC6H11N2O4PS3%2Fc1-10-5-7-8%286%289%2916-5%294-15-13%2814%2C11-2%2912-3%2Fh4H2%2C1-3H3,1.19281244277954,0.52944028377533,31.9742698669434,0.466899186372757,5.21768760681152,11.9985847473145,0.309434205293655,42.0022621154785,0.0807162523269653,13.4643888473511,1.32561206817627,0.364882975816727,0.196473002433777,0.0994397848844528,1.63311076164246,87.5740432739258,16.4231109619141,11.3674831390381,-0.355085611343384
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%2C4-5H2,1.79876053333282,0.634453892707825,34.9693794250488,0.567934691905975,4.77382135391235,11.998706817627,0.0834903791546822,0.976341962814331,1.66731642381457e-10,1.37341105937958,3.47518680499093e-10,0.244198799133301,0.59637188911438,0.341068267822266,0.710888385772705,3.0606415271759,2.08429956436157,5.86817216873169,-0.193793177604675
InChI%3D1S%2FC4H4N2O2%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29,1.22987258434296,0.456177026033401,15.9959182739258,0.41761103272438,4.31948900222778,11.9886379241943,0.312512814998627,5.48019790649414,1.51198431552757e-09,2.62852263450623,7.12661574198137e-09,0.168250918388367,0.35608446598053,0.442332118749619,2.08489656448364,10.1936168670654,4.71341943740845,6.41464805603027,-0.344640821218491
InChI%3D1S%2FC3H6N2S%2Fc6-3-4-1-2-5-3%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29,1.3378232717514,0.415074676275253,31.972677230835,0.564610242843628,6.56010770797729,11.9985771179199,0.174878552556038,4.36415672302246,0.0656703412532806,2.7353880405426,0.276456505060196,0.237329453229904,0.358138352632523,0.284557074308395,1.19791746139526,9.47980308532715,4.20976209640503,8.60701370239258,-0.266930758953094
InChI%3D1S%2FC2HCl3O2%2Fc3-2%284%2C5%291%286%297%2Fh%28H%2C6%2C7%29,1.30979859828949,0.567577719688416,34.9710578918457,0.494969993829727,4.55999565124512,11.998706817627,0.3779536485672,3.00985884666443,0.160953879356384,1.60668075084686,0.507357537746429,0.132276967167854,0.247250869870186,0.329343497753143,1.03815400600433,7.00831460952759,3.15219235420227,10.1373453140259,-0.326948195695877
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%2C1H3,1.1490740776062,0.548224031925201,15.9959230422974,0.512888729572296,5.59734344482422,11.9933423995972,0.19644983112812,29.586389541626,0.00542152905836701,10.0790586471558,0.0704506263136864,0.331725627183914,0.0879612863063812,0.218944296240807,2.84509444236755,44.6012268066406,12.9946041107178,10.663480758667,-0.33505579829216
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%2C1-2H3,1.09016275405884,0.551516950130463,15.9959239959717,0.417240619659424,4.87375020980835,11.8500003814697,0.102096647024155,69.0469512939453,0.00470120878890157,15.4180469512939,0.0934128239750862,0.331960648298264,0.121405206620693,0.219351261854172,4.35850095748901,95.1942138671875,19.8699607849121,9.92890167236328,-0.349384069442749
InChI%3D1S%2FC9H13N%2Fc1-6-4-7%282%299%2810%298%283%295-6%2Fh4-5H%2C10H2%2C1-3H3,1.26853287220001,0.498181790113449,14.0030784606934,0.49034771323204,6.11449337005615,11.8500003814697,0.106902748346329,16.8346099853516,0.0264301598072052,4.26941204071045,0.212384715676308,0.148479387164116,0.280003368854523,0.44226399064064,3.55389857292175,28.092830657959,8.03569507598877,8.74811363220215,-0.302037864923477
InChI%3D1S%2FC18H14N4O5S%2Fc23-16-9-6-13%2811-15%2816%2918%2824%2925%2921-20-12-4-7-14%288-5-12%2928%2826%2C27%2922-17-3-1-2-10-19-17%2Fh1-11%2C20H%2C%28H%2C19%2C22%29%28H%2C24%2C25%29,1.34020411968231,0.568711757659912,12.1500825881958,0.43296229839325,5.44758939743042,11.8500003814697,0.0900528952479362,9.150559425354,0.0705824196338654,4.30050945281982,0.4426249563694,0.264329940080643,0.33853006362915,0.243644326925278,1.52790260314941,18.3299789428711,6.27103662490845,8.12963104248047,-0.210048526525497
InChI%3D1S%2FC3H10N2%2Fc1-2-3-5-4%2Fh5H%2C2-4H2%2C1H3,1.52127301692963,0.549738824367523,14.1130771636963,0.572100818157196,4.43042087554932,11.9989995956421,0.00988201703876257,4.71295738220215,0.13913905620575,2.39994764328003,0.56994640827179,0.189418241381645,0.399433463811874,0.274969965219498,1.12634181976318,10.3498506546021,4.09623575210571,6.13325881958008,-0.375580102205276
InChI%3D1S%2FC34H27N9O7S2%2Fc35-22-10-15-27%2826%2836%2918-22%2941-38-24-11-6-19%287-12-24%2920-8-13-25%2814-9-20%2940-42-32-28%2851%2845%2C46%2947%2916-21-17-29%2852%2848%2C49%2950%2933%2834%2844%2930%2821%2931%2832%2937%2943-39-23-4-2-1-3-5-23%2Fh1-18%2C39H%2C35-37H2%2C%28H%2C45%2C46%2C47%29%28H%2C48%2C49%2C50%29,0.865447640419006,0.527799010276794,31.9730758666992,0.0528167374432087,5.68001699447632,11.8500003814697,0.298490583896637,1757.96203613281,0.0090319849550724,66.3857574462891,0.83589106798172,0.28798446059227,0.284831941127777,0.273655414581299,25.3262271881104,3255.89404296875,92.5478744506836,12.9514112472534,-0.303004264831543
InChI%3D1S%2FC20H26O2%2Fc1-3-20%2822%2911-9-18-17-6-4-13-12-14%2821%295-7-15%2813%2916%2817%298-10-19%2818%2C20%292%2Fh1%2C16-18%2C22H%2C4-12H2%2C2H3,1.38132965564728,0.517980754375458,15.995924949646,0.404050409793854,4.69311857223511,11.8900003433228,0.13733471930027,36.592155456543,0.189026072621346,6.17778921127319,2.10399270057678,0.166266843676567,0.459298551082611,0.2559514939785,2.84891963005066,84.7531814575195,11.1307020187378,12.049786567688,-0.376850932836533
InChI%3D1S%2FC19H17N3%2Fc20-16-7-1-13%282-8-16%2919%2814-3-9-17%2821%2910-4-14%2915-5-11-18%2822%2912-6-15%2Fh1-12%2C20H%2C21-22H2,1.22779428958893,0.471481323242188,14.0051031112671,0.39804807305336,5.68897008895874,11.8500003814697,0.102252848446369,77.1232757568359,0.0775423943996429,8.22379016876221,1.28030276298523,0.123559504747391,0.358264923095703,0.424378275871277,7.006911277771,167.409622192383,16.5110034942627,12.5848503112793,-0.303442746400833
InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H,1.30560612678528,0.432917088270187,34.9739570617676,0.487662315368652,7.54407739639282,11.9985628128052,0.146525427699089,8.57781600952148,0.150421008467674,2.32553482055664,0.793833434581757,0.0804937183856964,0.385026723146439,0.408920705318451,2.15804243087769,17.8391609191895,5.27741050720215,11.6940746307373,-0.204267740249634
InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H,1.5624794960022,0.523463845252991,12.1500539779663,0.523467063903809,6.09337520599365,11.8500003814697,0.0882962495088577,4.1154613494873,6.43662290134017e-10,2.02867126464844,2.61154387004581e-09,0.125002101063728,0.515548586845398,0.499997198581696,2.02864861488342,8.17278099060059,4.05732011795044,6.39342927932739,-0.211758151650429
InChI%3D1S%2FC12H15N3O6%2Fc1-6-9%2813%2816%2917%297%282%2911%2815%2820%2921%298%2812%283%2C4%295%2910%286%2914%2818%2919%2Fh1-5H3,1.24451518058777,0.295414000749588,15.9999418258667,0.483615279197693,4.04108572006226,11.8900003433228,0.171808674931526,69.4107208251953,0.0628115609288216,9.29256629943848,1.01298785209656,0.18214775621891,0.465485870838165,0.360991418361664,5.82185745239258,140.340759277344,16.1274108886719,11.2567577362061,-0.154177993535995
InChI%3D1S%2FC5H14N2%2Fc1-2-3-4-5-7-6%2Fh7H%2C2-6H2%2C1H3,1.31196558475494,0.537218391895294,14.1130790710449,0.462428510189056,4.54934692382812,11.9989995956421,0.0101735107600689,9.60286045074463,0.0657169669866562,6.09750509262085,0.498858362436295,0.352439880371094,0.312318742275238,0.131029859185219,0.994649410247803,20.219388961792,7.59101295471191,6.8876428604126,-0.375575453042984
InChI%3D1S%2FC2H4Br2%2Fc3-1-2-4%2Fh1-2H2,1.70620167255402,0.407055795192719,78.91943359375,0.799145817756653,6.54528713226318,11.9989070892334,0.0982715487480164,2.00624060630798,0.153470501303673,1.41951978206635,0.400551557540894,0.157914578914642,0.5,0.30264338850975,0.78988653421402,5.06532096862793,2.6099579334259,8.54524803161621,-0.192232117056847
InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh3H%2C1-2H3,1.25061631202698,0.495711207389832,15.9949169158936,0.406820327043533,4.75880908966064,11.8999996185303,0.155949324369431,12.3138380050659,0.153092414140701,3.67669034004211,0.998739659786224,0.17268779873848,0.348084717988968,0.28332382440567,1.84833943843842,25.624813079834,6.52376937866211,9.56506633758545,-0.294357568025589
InChI%3D1S%2FC10H12Cl2O2%2Fc11-7-13-5-9-1-2-10%284-3-9%296-14-8-12%2Fh1-4H%2C5-8H2,1.52519559860229,0.596011638641357,34.970157623291,0.490534484386444,4.93975114822388,11.9985313415527,0.184729650616646,23.2502136230469,0.127073779702187,7.86431169509888,1.34512519836426,0.30720528960228,0.438649445772171,0.129985839128494,1.37595045566559,48.3910713195801,10.5853872299194,8.55247211456299,-0.355424970388412
InChI%3D1S%2FC10H10O3%2Fc1-2-8%2811%297-3-4-9-10%285-7%2913-6-12-9%2Fh2-5%2C8%2C11H%2C1%2C6H2,1.30309426784515,0.549661099910736,15.996922492981,0.40980464220047,5.37238645553589,11.8500003814697,0.207053765654564,17.8976058959961,0.0622542165219784,7.67148780822754,0.614884853363037,0.332526713609695,0.343628585338593,0.161043509840965,1.59062671661377,35.2777214050293,9.87699890136719,9.04888343811035,-0.38378033041954
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InChI%3D1S%2FC12H11N%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9H%2C13H2,1.23863863945007,0.523842871189117,14.003080368042,0.385079056024551,6.19622468948364,11.8500003814697,0.0924354642629623,19.7033386230469,0.0987346023321152,6.64470195770264,0.924229383468628,0.28238570690155,0.329716742038727,0.191417798399925,1.79181301593781,40.0680160522461,9.36074447631836,9.94457149505615,-0.301978379487991
InChI%3D1S%2FC18H28O3S%2Fc1-3-4-5-6-7-8-11-22%2819%2915%282%2912-16-9-10-17-18%2813-16%2921-14-20-17%2Fh9-10%2C13%2C15H%2C3-8%2C11-12%2C14H2%2C1-2H3,1.42374205589294,0.583664655685425,31.9720726013184,0.405094683170319,5.14809465408325,11.8500003814697,0.206122294068336,126.509086608887,0.035956833511591,21.9373683929443,0.98874568939209,0.348332494497299,0.434982717037201,0.16626650094986,4.57201814651489,253.176467895508,27.4981307983398,11.5755014419556,-0.316761136054993
InChI%3D1S%2FC7H10N2%2Fc1-5-2-3-6%288%294-7%285%299%2Fh2-4H%2C8-9H2%2C1H3,1.14980161190033,0.53527170419693,14.0092802047729,0.479619175195694,5.62202215194702,11.9935121536255,0.0511917434632778,10.9133958816528,0.0138894412666559,4.58750677108765,0.0961093828082085,0.247229561209679,0.134910732507706,0.323137819766998,2.23598456382751,18.81884765625,6.91960048675537,8.23973178863525,-0.336456805467606
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InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H,1.61024582386017,0.542462527751923,12.1501121520996,0.537095904350281,6.8662257194519,11.8500003814697,0.121521204710007,10.5045328140259,2.32200081384804e-09,4.5118088722229,1.58825770313342e-08,0.244713023304939,0.53068733215332,0.340382635593414,2.32823085784912,17.3445720672607,6.84003973007202,8.86676025390625,-0.178616106510162
InChI%3D1S%2FC15H9NO4%2Fc1-8-6-7-11-12%2813%288%2916%2819%2920%2915%2818%2910-5-3-2-4-9%2810%2914%2811%2917%2Fh2-7H%2C1H3,1.40797054767609,0.553900241851807,15.9979314804077,0.507134318351746,4.09287118911743,11.8500003814697,0.228846684098244,31.9493312835693,0.0284188743680716,9.52514934539795,0.362896949052811,0.309444010257721,0.346936047077179,0.225655764341354,2.88152813911438,54.6793327331543,12.7695741653442,10.7168750762939,-0.298709064722061
InChI%3D1S%2FC4H6%2Fc1-3-4-2%2Fh3-4H%2C1-2H2,1.51648235321045,0.546173512935638,12.2100191116333,0.522188246250153,4.8872218132019,11.789999961853,0.12646709382534,2.73908376693726,0.0152200730517507,2.40106439590454,0.0535461343824863,0.261862933635712,0.448120623826981,0.302296012639999,1.06351542472839,6.39394330978394,3.51812601089478,5.9972972869873,-0.294572412967682
InChI%3D1S%2FC17H17ClO3%2Fc1-17%282%2C16%2819%2920-3%2921-15-10-6-13%287-11-15%2912-4-8-14%2818%299-5-12%2Fh4-11H%2C1-3H3,1.34438276290894,0.522511184215546,34.9688529968262,0.443615734577179,4.57387161254883,11.8500003814697,0.293601423501968,65.4916076660156,0.061876505613327,16.7879695892334,1.26872289180756,0.364070802927017,0.378255873918533,0.119362413883209,2.44742059707642,138.1240234375,20.504114151001,9.79938983917236,-0.329419136047363
InChI%3D1S%2FC27H44O6%2Fc1-15%2820%2828%298-9-24%282%2C3%2932%2916-7-11-27%2833%2918-12-21%2829%2919-13-22%2830%2923%2831%2914-25%2819%2C4%2917%2818%296-10-26%2816%2C27%295%2Fh12%2C15-17%2C19-20%2C22-23%2C28%2C30-33H%2C6-11%2C13-14H2%2C1-5H3,1.15139138698578,0.444937855005264,15.9999551773071,0.399179428815842,5.33646059036255,11.8900003433228,0.159445747733116,91.7965316772461,0.155198395252228,8.07130527496338,2.6813690662384,0.100377082824707,0.307274132966995,0.377632141113281,6.52436590194702,250.274856567383,17.2770404815674,13.0476455688477,-0.393155246973038
InChI%3D1S%2FC7H5N3O3S%2Fc8-7-9-4%283-14-7%295-1-2-6%2813-5%2910%2811%2912%2Fh1-3H%2C%28H2%2C8%2C9%29,,,31.9720726013184,,3.41176962852478,11.9989995956421,0.277895539999008,,,,,,,,,,,9.9207592010498,-0.333191871643066
InChI%3D1S%2FC14H19Cl2NO2%2Fc15-8-10-17%2811-9-16%2913-6-4-12%285-7-13%292-1-3-14%2818%2919%2Fh4-7H%2C1-3%2C8-11H2%2C%28H%2C18%2C19%29,1.56350791454315,0.605865955352783,34.970157623291,0.467607438564301,3.77535319328308,11.9985179901123,0.258930623531342,48.8327598571777,0.0506792441010475,13.9866981506348,0.877952635288239,0.355529725551605,0.490034461021423,0.141947776079178,2.45906233787537,96.3529205322266,17.3237133026123,10.3081569671631,-0.331600069999695
InChI%3D1S%2FC10H12N2O4%2Fc1-3-16-10-5-4-8%2811-7%282%2913%296-9%2810%2912%2814%2915%2Fh4-6H%2C3H2%2C1-2H3%2C%28H%2C11%2C13%29,1.11678040027618,0.523258864879608,16.0169982910156,0.332181334495544,3.77548861503601,11.9989995956421,0.191392838954926,31.386116027832,0.0352100506424904,12.2288570404053,0.518016219139099,0.373405247926712,0.261340171098709,0.133582964539528,1.96529519557953,58.5479316711426,14.7121686935425,8.71534633636475,-0.368425965309143
InChI%3D1S%2FC12H11Cl2NO%2Fc1-4-12%282%2C3%2915-11%2816%298-5-9%2813%297-10%2814%296-8%2Fh1%2C5-7H%2C2-3H3%2C%28H%2C15%2C16%29,1.12338495254517,0.176486194133759,34.970157623291,0.529058396816254,5.05009889602661,11.9985237121582,0.169000819325447,96.2159271240234,0.0495506040751934,20.867883682251,1.25305569171906,0.368896782398224,0.417840331792831,0.125253677368164,3.16746544837952,204.329177856445,25.2884044647217,10.1191663742065,-0.344522178173065
InChI%3D1S%2FC11H11N5%2Fc12-10-7-6-9%2811%2813%2914-10%2916-15-8-4-2-1-3-5-8%2Fh1-7H%2C%28H4%2C12%2C13%2C14%29,1.441246509552,0.543737888336182,14.0094022750854,0.504354059696198,5.40272903442383,11.994402885437,0.112328507006168,30.9153575897217,0.0473911799490452,11.8788623809814,0.681352257728577,0.36967208981514,0.3931545317173,0.126379355788231,1.81698060035706,59.9986305236816,14.3771953582764,9.29199504852295,-0.313738375902176
InChI%3D1S%2FC2H6N2O%2Fc1-4%283%292-5%2Fh2H%2C3H2%2C1H3,1.41313934326172,0.483973294496536,16.0059242248535,0.553178191184998,3.32037377357483,11.9889097213745,0.280659526586533,3.13866305351257,0.0780635923147202,1.60468506813049,0.25951936841011,0.112017743289471,0.375987857580185,0.439246088266373,1.46025633811951,7.07124280929565,3.32446074485779,6.00500297546387,-0.361449480056763
InChI%3D1S%2FC8H20N2%2Fc1-3-5-7-10%289%298-6-4-2%2Fh3-9H2%2C1-2H3,1.51000022888184,0.56072461605072,14.0040817260742,0.537634551525116,5.15499305725098,11.8900003433228,0.0502981953322887,21.615966796875,0.098058208823204,6.14027833938599,0.914187014102936,0.243967324495316,0.411641091108322,0.243318691849709,2.26843619346619,43.6724243164062,9.32290172576904,8.05663394927979,-0.268398106098175
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InChI%3D1S%2FC43H58N4O12%2Fc1-21-12-11-13-22%282%2942%2855%2945-33-28%2820-44-47-17-15-46%289%2916-18-47%2937%2852%2930-31%2838%2833%2953%2936%2851%2926%286%2940-32%2830%2941%2854%2943%288%2C59-40%2957-19-14-29%2856-10%2923%283%2939%2858-27%287%2948%2925%285%2935%2850%2924%284%2934%2821%2949%2Fh11-14%2C19-21%2C23-25%2C29%2C34-35%2C39%2C44%2C49-51%2C53H%2C15-18H2%2C1-10H3%2C%28H%2C45%2C55%29,0.760367751121521,0.054432038217783,16.00905418396,0.437287986278534,4.27695894241333,11.9882774353027,0.300965428352356,419.447326660156,0.16854901611805,18.2155590057373,6.22986650466919,0.11961641907692,0.268647730350494,0.338629096746445,12.5163230895996,1876.76770019531,36.9617500305176,12.0744886398315,-0.392637997865677
InChI%3D1S%2FC12H12N4%2Fc1-7-6-9-8%284-3-5-14-9%2910-11%287%2916%282%2912%2813%2915-10%2Fh3-6H%2C1-2H3%2C%28H2%2C13%2C15%29,1.14704847335815,0.508097648620605,14.0089292526245,0.500456690788269,5.83775043487549,11.994384765625,0.15652559697628,26.3709506988525,0.0111257899552584,7.31217479705811,0.120847769081593,0.254893839359283,0.138494104146957,0.31568244099617,3.42892670631409,40.2629051208496,10.86194896698,10.481333732605,-0.278252393007278
InChI%3D1S%2FC7H7Cl%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H%2C6H2,1.15201926231384,0.563328325748444,34.9693794250488,0.468855917453766,5.55999898910522,11.9985513687134,0.116603851318359,7.25274419784546,0.0396866612136364,3.5274977684021,0.217357337474823,0.233056902885437,0.119835041463375,0.316237479448318,1.73198068141937,14.0575370788574,5.47683572769165,8.47887992858887,-0.210813507437706
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InChI%3D1S%2FC11H17F3N6O%2Fc12-11%2813%2C14%297-17-10%2816%2918-9-4-6-20%2819-9%295-2-1-3-8%2815%2921%2Fh4%2C6H%2C1-3%2C5%2C7H2%2C%28H2%2C15%2C21%29%28H3%2C16%2C17%2C18%2C19%29,1.32987058162689,0.500338554382324,19.001256942749,0.392148375511169,3.13346838951111,11.9974336624146,0.422291845083237,45.7952651977539,0.0889593958854675,8.22019195556641,1.17788052558899,0.215622305870056,0.437383651733398,0.290210872888565,3.8425817489624,96.2413482666016,13.2406539916992,8.80393695831299,-0.348503947257996
InChI%3D1S%2FC2H2Cl4%2Fc3-1-2%284%2C5%296%2Fh1H2,1.82739520072937,0.706637978553772,34.9720077514648,0.701089203357697,6.0832462310791,11.998706817627,0.313979119062424,2.89387011528015,0.233705043792725,1.42837131023407,0.705275535583496,0.10498633235693,0.419668078422546,0.292979866266251,0.88415515422821,6.80236577987671,3.01780200004578,10.7188091278076,-0.167204841971397
InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2,1.18113088607788,0.497329831123352,34.9701538085938,0.434583276510239,5.25948715209961,11.9986352920532,0.087548516690731,2.65828490257263,0.0819931551814079,2.37828516960144,0.27942281961441,0.273408651351929,0.24921777844429,0.220128625631332,0.750171899795532,6.56468963623047,3.40787982940674,7.11486625671387,-0.1925930082798
InChI%3D1S%2FC32H24N6O16S4%2Fc33-19-11-17%2855%2843%2C44%2945%295-15-9-25%2857%2849%2C50%2951%2929%2831%2841%2927%2815%2919%2937-35-21-3-1-13%287-23%2821%2939%2914-2-4-22%2824%2840%298-14%2936-38-30-26%2858%2852%2C53%2954%2910-16-6-18%2856%2846%2C47%2948%2912-20%2834%2928%2816%2932%2830%2942%2Fh1-12%2C35-36%2C39-40H%2C33-34H2%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29%28H%2C49%2C50%2C51%29%28H%2C52%2C53%2C54%29,1.37812221050262,0.502279758453369,31.9753131866455,0.565567970275879,5.71229553222656,11.9989995956421,0.315780818462372,271.631103515625,0.0917849466204643,29.7920513153076,3.51704072952271,0.333117038011551,0.310274511575699,0.130725651979446,5.00918102264404,834.810607910156,38.3182716369629,12.9253206253052,-0.359703570604324
InChI%3D1S%2FC17H22N2%2Fc1-18%282%2916-9-5-14%286-10-16%2913-15-7-11-17%2812-8-15%2919%283%294%2Fh5-12H%2C13H2%2C1-4H3,1.69169783592224,0.615258812904358,14.0092868804932,0.463398158550262,5.9936785697937,11.9933195114136,0.0487739816308022,71.139762878418,0.109680101275444,14.9702491760254,2.12732744216919,0.328873664140701,0.613040924072266,0.118488356471062,2.29817008972168,163.724472045898,19.3957462310791,9.44680118560791,-0.337625980377197
InChI%3D1S%2FC18H27NO3%2Fc1-14%282%298-6-4-5-7-9-18%2821%2919-13-15-10-11-16%2820%2917%2812-15%2922-3%2Fh6%2C8%2C10-12%2C14%2C20H%2C4-5%2C7%2C9%2C13H2%2C1-3H3%2C%28H%2C19%2C21%29,1.1821722984314,0.494936287403107,15.9969301223755,0.554264545440674,4.87099885940552,11.8900003433228,0.135506704449654,113.544204711914,0.0943633913993835,17.3903884887695,2.21116375923157,0.306612759828568,0.132971450686455,0.163486272096634,3.83088111877441,284.285491943359,23.4324321746826,9.00277137756348,-0.357959032058716
InChI%3D1S%2FC6H12N2O%2Fc9-7-8-5-3-1-2-4-6-8%2Fh1-6H2,1.40212607383728,0.447772175073624,15.9949169158936,0.520752608776093,3.30462265014648,11.8999996185303,0.0973032861948013,8.06128692626953,0.147421166300774,2.44920754432678,0.758016049861908,0.107246726751328,0.433601349592209,0.376249879598618,1.93461668491364,16.7948169708252,5.14184045791626,7.42852210998535,-0.16299095749855
InChI%3D1S%2FC2H3Cl3%2Fc3-1-2%284%295%2Fh2H%2C1H2,1.78669655323029,0.883501052856445,34.9710578918457,0.483063906431198,5.59424543380737,11.998706817627,0.212212473154068,2.36144948005676,0.257633030414581,1.32152390480042,0.703867733478546,0.112782843410969,0.42013156414032,0.258656531572342,0.706664025783539,5.7508282661438,2.7320556640625,8.76401519775391,-0.177462980151176
InChI%3D1S%2FC12H11N%2Fc13-12-8-6-11%287-9-12%2910-4-2-1-3-5-10%2Fh1-9H%2C13H2,1.64733028411865,0.544286370277405,14.003080368042,0.550400972366333,5.60444307327271,11.8500003814697,0.0924028605222702,19.2443237304688,0.0309747438877821,8.87444400787354,0.339962989091873,0.356426924467087,0.552642941474915,0.160456046462059,1.76108372211456,35.5329704284668,10.9754905700684,9.53583335876465,-0.302484452724457
InChI%3D1S%2FC8H20N2%2Fc1-3-5-7-9-10-8-6-4-2%2Fh9-10H%2C3-8H2%2C1-2H3,1.60045528411865,0.59366637468338,14.0040817260742,0.561026751995087,5.08076667785645,11.8900003433228,0.050284568220377,24.4732818603516,0.0662746578454971,8.50207042694092,0.742870688438416,0.318879395723343,0.44576221704483,0.175219491124153,1.96403026580811,48.0869483947754,11.2089710235596,7.03813600540161,-0.25824761390686
InChI%3D1S%2FC2H8N2%2Fc1-4%282%293%2Fh3H2%2C1-2H3,1.39130914211273,0.579702079296112,14.113076210022,0.48125633597374,4.58894443511963,11.9989995956421,0.0023641767911613,3.13796162605286,0.0832642987370491,1.64937686920166,0.276316583156586,0.122763194143772,0.330350756645203,0.419718116521835,1.39285480976105,7.09130382537842,3.31854820251465,5.86555194854736,-0.370959162712097
InChI%3D1S%2FC13H12Cl2N2%2Fc14-10-6-8%281-3-12%2810%2916%295-9-2-4-13%2817%2911%2815%297-9%2Fh1-4%2C6-7H%2C5%2C16-17H2,1.40520751476288,0.540471613407135,34.970157623291,0.462269186973572,6.08218145370483,11.9985208511353,0.136348307132721,34.7861137390137,0.0954913347959518,9.87663650512695,1.25505232810974,0.313601940870285,0.402466744184494,0.153039410710335,2.01141262054443,72.8620758056641,13.1431016921997,9.86156463623047,-0.301806271076202
InChI%3D1S%2FC6H14O2%2Fc1-2-3-5-8-6-4-7%2Fh7H%2C2-6H2%2C1H3,1.75473070144653,0.557597398757935,15.9982585906982,0.651813805103302,3.72817587852478,11.9963550567627,0.0920869782567024,10.9666576385498,0.0431816391646862,8.73967552185059,0.429908335208893,0.408384829759598,0.545319437980652,0.0789719149470329,0.786229610443115,23.8765392303467,9.95581340789795,6.4919810295105,-0.41832822561264
InChI%3D1S%2FC5H12O%2Fc1-5%282%2C3%296-4%2Fh1-4H3,1.46914756298065,0.482838064432144,15.9949159622192,0.442530989646912,4.65437078475952,11.8900003433228,0.13202939927578,6.49226808547974,0.235135793685913,2.23458290100098,1.06886291503906,0.118684142827988,0.543778598308563,0.273285329341888,1.24228024482727,14.0051345825195,4.54572582244873,7.49042320251465,-0.378271877765656
InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2,1.60664689540863,0.400000005960464,34.9701538085938,0.806646883487701,4.95766448974609,11.9994735717773,0.185354650020599,0.901273846626282,0.18836435675621,0.808174252510071,0.319816172122955,0.10699699819088,0.400000005960464,0.335639655590057,0.569868922233582,2.74642562866211,1.69785928726196,6.53172636032104,-0.18513411283493
InChI%3D1S%2FC12H11N7%2Fc13-9-7%286-4-2-1-3-5-6%2916-8-10%2814%2918-12%2815%2919-11%288%2917-9%2Fh1-5H%2C%28H6%2C13%2C14%2C15%2C17%2C18%2C19%29,1.22982466220856,0.452167510986328,14.0106678009033,0.360902845859528,5.57485389709473,11.994384765625,0.147718459367752,33.4485626220703,0.109479211270809,8.00160598754883,1.28973150253296,0.259413868188858,0.416754364967346,0.211302310228348,2.4892692565918,70.9182357788086,11.7806062698364,10.8326835632324,-0.314211636781693
InChI%3D1S%2FC12H7Cl2NO3%2Fc13-8-1-6-12%2811%2814%297-8%2918-10-4-2-9%283-5-10%2915%2816%2917%2Fh1-7H,1.42421722412109,0.548002958297729,34.9698524475098,0.482581555843353,3.56416296958923,11.8500003814697,0.219878777861595,26.5907649993896,0.0710405185818672,10.0895490646362,0.893922984600067,0.351366221904755,0.393632650375366,0.12713785469532,1.59981167316437,53.6031951904297,12.5832834243774,9.72992134094238,-0.358482837677002
InChI%3D1S%2FC3H5NO2%2Fc1-2-6-3%284%295%2Fh2H%2C1H2%2C%28H2%2C4%2C5%29,1.49966466426849,0.64115434885025,15.9982585906982,0.503615140914917,4.0085973739624,11.9965486526489,0.299426376819611,4.37025117874146,0.0296545177698135,3.75772166252136,0.144801437854767,0.327170133590698,0.354895234107971,0.200785309076309,0.980424106121063,9.78667068481445,4.88294744491577,5.55851697921753,-0.344972491264343
InChI%3D1S%2FC9H8Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-2%2C5-6H%2C3-4H2,1.34792482852936,0.37748384475708,34.9710578918457,0.513778328895569,5.94171857833862,11.9985370635986,0.356682658195496,20.0697860717773,0.176431104540825,5.07711744308472,1.49454784393311,0.199514612555504,0.456662595272064,0.224216088652611,1.89933443069458,42.9529266357422,8.4709997177124,13.2399339675903,-0.27961865067482
InChI%3D1S%2FC10H8N4%2Fc11-8-5-4-7-10%2813-8%2914-6-2-1-3-9%2814%2912-7%2Fh1-6H%2C%28H2%2C11%2C13%29,1.50643622875214,0.553138136863708,14.0089263916016,0.535353004932404,5.55966711044312,11.9944229125977,0.109640255570412,19.6306304931641,0.0773534402251244,6.56617069244385,0.721802234649658,0.277758032083511,0.417945116758347,0.21896918118,2.04325032234192,38.6457939147949,9.331223487854,10.0911874771118,-0.296101897954941
InChI%3D1S%2FC14H16N2O2%2Fc1-17-13-7-9%283-5-11%2813%2915%2910-4-6-12%2816%2914%288-10%2918-2%2Fh3-8H%2C15-16H2%2C1-2H3,1.65705716609955,0.617084324359894,15.9982633590698,0.628829479217529,4.9990086555481,11.9961957931519,0.0948125869035721,49.17138671875,0.0465035960078239,11.2268095016479,0.715554356575012,0.297219455242157,0.411143392324448,0.223870441317558,3.44471120834351,92.2311782836914,15.3870754241943,10.0171718597412,-0.375982999801636
InChI%3D1S%2FC8H16N2O%2Fc1-3-4-5-6-7-9-10%282%298-11%2Fh7-8H%2C3-6H2%2C1-2H3,1.44668781757355,0.583099484443665,16.0059261322021,0.465172737836838,3.599769115448,11.9886302947998,0.286292612552643,20.6072807312012,0.034775510430336,12.4106779098511,0.48778834939003,0.413588464260101,0.398415565490723,0.0804398730397224,1.12831223011017,41.4646186828613,14.0267782211304,7.39358568191528,-0.360256940126419
InChI%3D1S%2FC16H12N2O2%2Fc19-15-13-7-3-1-5-11%2813%299-17-16%2820%2914-8-4-2-6-12%2814%2910-18%2815%2917%2Fh1-8H%2C9-10H2,1.49250900745392,0.540961802005768,16.0060291290283,0.512493073940277,5.54724311828613,11.9884653091431,0.301099956035614,36.5555305480957,0.108862400054932,9.40612697601318,1.41189420223236,0.293936043977737,0.439054131507874,0.1658895611763,2.15150952339172,78.0980911254883,12.9695301055908,10.2219724655151,-0.354426801204681
InChI%3D1S%2FC6H6O2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4%2C7-8H,1.13157856464386,0.474774360656738,15.9959173202515,0.462290436029434,4.62259387969971,11.8500003814697,0.120624952018261,6.0477089881897,9.30089072426199e-09,3.36859655380249,4.80290260895799e-08,0.239250227808952,0.194513782858849,0.347666352987289,1.7953200340271,11.2116260528564,5.16391658782959,6.77386045455933,-0.361396819353104
InChI%3D1S%2FC10H9N%2Fc11-10-7-3-5-8-4-1-2-6-9%288%2910%2Fh1-7H%2C11H2,1.22077620029449,0.543716192245483,14.0030794143677,0.553395986557007,6.06277465820312,11.8500003814697,0.125789299607277,13.2739839553833,0.000889377784915268,4.40505361557007,0.00659376941621304,0.195620313286781,0.123663991689682,0.404950201511383,3.0022656917572,20.7751007080078,7.41391324996948,9.42484188079834,-0.301971137523651
InChI%3D1S%2FC12H8Cl6%2Fc13-8-9%2814%2911%2816%297-5-2-1-4%283-5%296%287%2910%288%2C15%2912%2811%2C17%2918%2Fh1-2%2C4-7H%2C3H2,1.32052195072174,0.509056866168976,34.9739570617676,0.402602821588516,8.47373390197754,11.9985237121582,0.260111182928085,15.2364206314087,0.24203072488308,3.56705069541931,1.69628620147705,0.131717368960381,0.408862233161926,0.249012768268585,1.74522018432617,32.8048477172852,7.00855731964111,15.5414514541626,-0.166057482361794
InChI%3D1S%2FC3H4O2%2Fc4-2-1-3-5%2Fh1-4H,1.32042121887207,0.549255073070526,16.0060234069824,0.411173313856125,3.27396249771118,11.9888439178467,0.228288814425468,2.14850544929504,1.53030313754243e-07,2.79479384422302,5.45330635759456e-07,0.338204890489578,0.359992742538452,0.215726673603058,0.768752038478851,5.71205282211304,3.56354641914368,5.54275465011597,-0.381784737110138
InChI%3D1S%2FC9H4F3N3O4S%2Fc10-9%2811%2C12%297%2816%2914-8-13-4%283-20-8%295-1-2-6%2819-5%2915%2817%2918%2Fh1-3H%2C%28H%2C13%2C14%2C16%29,,,31.9720726013184,,3.3925347328186,11.9974594116211,0.475094169378281,,,,,,,,,,,10.1799783706665,-0.341592609882355
InChI%3D1S%2FC8H9N3O2%2Fc1-6%2812%2910-11-8%2813%297-2-4-9-5-3-7%2Fh2-5H%2C1H3%2C%28H%2C10%2C12%29%28H%2C11%2C13%29,1.42051160335541,0.629391312599182,15.995922088623,0.5760817527771,4.54146003723145,11.8500003814697,0.250635534524918,18.8442001342773,0.025763813406229,8.68882369995117,0.278222173452377,0.353449165821075,0.215038493275642,0.169637307524681,1.83190500736237,34.0716438293457,10.7989511489868,8.62838172912598,-0.347376614809036
InChI%3D1S%2FC34H59NO15%2Fc1-5-6-9-20%283%2932%2850-31%2844%2917-23%2834%2847%2948%2915-29%2841%2942%2927%2849-30%2843%2916-22%2833%2845%2946%2914-28%2839%2940%2913-19%282%2912-24%2836%2910-7-8-11-25%2837%2918-26%2838%2921%284%2935%2Fh19-27%2C32%2C36-38H%2C5-18%2C35H2%2C1-4H3%2C%28H%2C39%2C40%29%28H%2C41%2C42%29%28H%2C45%2C46%29%28H%2C47%2C48%29,0.914201557636261,0.49107763171196,16.0093593597412,0.0614821650087833,3.94511389732361,11.9961042404175,0.283436745405197,246.728561401367,0.182659834623337,17.7532787322998,5.41917324066162,0.198796927928925,0.361641764640808,0.218944251537323,6.4956636428833,901.332153320312,29.6681175231934,11.1920433044434,-0.39342188835144
InChI%3D1S%2FC12H11N3%2Fc1-7-6-9-8-4-2-3-5-10%288%2914-12%289%2915-11%287%2913%2Fh2-6H%2C1H3%2C%28H3%2C13%2C14%2C15%29,1.34153413772583,0.518824279308319,14.0050926208496,0.532172322273254,5.82257175445557,11.8500003814697,0.110833071172237,23.0473957061768,0.0544984973967075,7.43453788757324,0.564368724822998,0.288439363241196,0.290537506341934,0.227582350373268,2.35676884651184,43.2916488647461,10.3556756973267,10.4352607727051,-0.29286715388298
InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3,1.34020411968231,0.568711757659912,12.1500825881958,0.43296229839325,5.44758939743042,11.8500003814697,0.0900528952479362,9.150559425354,0.0705824196338654,4.30050945281982,0.4426249563694,0.264329940080643,0.33853006362915,0.243644326925278,1.52790260314941,18.3299789428711,6.27103662490845,8.12963104248047,-0.210048526525497
InChI%3D1S%2FC6H12Cl3O4P%2Fc7-1-4-11-14%2810%2C12-5-2-8%2913-6-3-9%2Fh1-6H2,1.28102266788483,0.425624221563339,34.9710578918457,0.444316208362579,3.52768158912659,11.9985628128052,0.4540795981884,30.1092777252197,0.0615223757922649,5.12862205505371,0.640967607498169,0.119197703897953,0.411082208156586,0.446214020252228,4.64885711669922,55.8098220825195,10.4184465408325,6.59544563293457,-0.282609671354294
InChI%3D1S%2FC2H5NS%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29,1.16618800163269,0.541436612606049,31.972677230835,0.402529239654541,5.37799692153931,11.9986572265625,0.109367303550243,2.69427919387817,0.0557502135634422,1.65976929664612,0.175318822264671,0.145846650004387,0.222222149372101,0.416454255580902,1.30963218212128,6.22008800506592,3.14472031593323,7.7129545211792,-0.298427104949951
InChI%3D1S%2FC4H3FN2O2%2Fc5-2-1-6-4%289%297-3%282%298%2Fh1H%2C%28H2%2C6%2C7%2C8%2C9%29,1.35053241252899,0.508554637432098,18.998405456543,0.4955053627491,3.8194625377655,11.9886379241943,0.267417252063751,5.18001127243042,1.50683163724352e-07,2.75838947296143,6.98612382166175e-07,0.196216136217117,0.346472442150116,0.405045002698898,1.87791037559509,9.81631565093994,4.63630056381226,6.42212104797363,-0.342495083808899
InChI%3D1S%2FC24H34O9%2Fc1-12%282%297-18%2827%2932-16-9-23%2810-29-14%284%2925%2917%288-13%2816%293%2933-21-19%2828%2920%2831-15%285%2926%2922%2823%2C6%2924%2821%2911-30-24%2Fh8%2C12%2C16-17%2C19-21%2C28H%2C7%2C9-11H2%2C1-6H3,1.30861604213715,0.45526647567749,16.0033874511719,0.407891720533371,4.13779020309448,11.996636390686,0.263158529996872,101.911468505859,0.17247548699379,9.2739429473877,3.15198922157288,0.130599588155746,0.445457816123962,0.320058375597,5.84906625747681,291.162689208984,18.2749977111816,13.7884788513184,-0.387696117162704
InChI%3D1S%2FC4H8N2O%2Fc7-5-6-3-1-2-4-6%2Fh1-4H2,1.41797304153442,0.413951903581619,15.9949169158936,0.586661517620087,3.12324786186218,11.8999996185303,0.0977471917867661,4.95803689956665,0.111398108303547,2.12770295143127,0.459589034318924,0.136794611811638,0.417359620332718,0.37287575006485,1.53835296630859,10.5879888534546,4.12564468383789,6.7030177116394,-0.162973523139954
InChI%3D1S%2FC6H13NO2S%2Fc1-2-10-4-3-5%287%296%288%299%2Fh5H%2C2-4%2C7H2%2C1H3%2C%28H%2C8%2C9%29,1.49159896373749,0.525053441524506,31.9720706939697,0.417398750782013,4.083909034729,11.9963550567627,0.295259267091751,15.2480669021606,0.119909510016441,4.87155628204346,0.917419254779816,0.227545529603958,0.549146831035614,0.243363112211227,1.86195409297943,31.220552444458,7.65092992782593,9.13381862640381,-0.349697142839432
InChI%3D1S%2FC2H6N2O%2Fc1-4%282%293-5%2Fh1-2H3,1.42714691162109,0.645242214202881,16.0168151855469,0.437097281217575,2.82572150230408,11.9989995956421,0.173324480652809,3.0114643573761,0.0883366838097572,1.84654915332794,0.291067391633987,0.170309945940971,0.344807386398315,0.351250052452087,1.15736103057861,6.92848873138428,3.29497766494751,5.63900327682495,-0.275394976139069
InChI%3D1S%2FC4H4N2OS%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29,1.19505047798157,0.45235812664032,31.972677230835,0.472288131713867,4.76155948638916,11.9985370635986,0.22392526268959,6.23814868927002,1.0317454668396e-09,3.34246802330017,5.37415401069552e-09,0.23127244412899,0.27040421962738,0.358303397893906,1.86633014678955,11.446946144104,5.20879793167114,8.70703887939453,-0.344622194766998
InChI%3D1S%2FC12H12N2O3%2Fc1-2-12%288-6-4-3-5-7-8%299%2815%2913-11%2817%2914-10%2812%2916%2Fh3-7H%2C2H2%2C1H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29,1.25499963760376,0.483443111181259,15.9969263076782,0.524732410907745,4.33389711380005,11.8500003814697,0.371319651603699,20.8154392242432,0.122337080538273,5.65798807144165,1.09107208251953,0.22580386698246,0.246824115514755,0.243257761001587,2.16951203346252,43.1270027160645,8.91857242584229,11.9949417114258,-0.34783923625946
InChI%3D1S%2FC7H6N4O3S%2Fc8-10-7-9-4%283-15-7%295-1-2-6%2814-5%2911%2812%2913%2Fh1-3H%2C8H2%2C%28H%2C9%2C10%29,,,31.9720726013184,,3.40932416915894,11.9989995956421,0.277917504310608,,,,,,,,,,,9.82960891723633,-0.332738518714905
InChI%3D1S%2FC4H7NO2%2Fc1-2-4%287%295-3-6%2Fh2%2C6H%2C1%2C3H2%2C%28H%2C5%2C7%29,1.26968884468079,0.572443664073944,15.9982585906982,0.427986741065979,3.7968921661377,11.9964609146118,0.162171170115471,6.38540506362915,0.0577163957059383,4.14099550247192,0.322912067174911,0.305112451314926,0.269258409738541,0.202133685350418,1.13089883327484,13.4924240112305,5.59480619430542,6.71138143539429,-0.396621942520142
InChI%3D1S%2FC10H9Cl4O4P%2Fc1-16-19%2815%2C17-2%2918-10%285-11%296-3-8%2813%299%2814%294-7%286%2912%2Fh3-5H%2C1-2H3,1.15719819068909,0.38003545999527,34.9720077514648,0.367116510868073,3.51548457145691,11.9985313415527,0.458425849676132,55.4046096801758,0.123732596635818,7.47209978103638,1.71052515506744,0.155376523733139,0.410046190023422,0.335765361785889,4.6417441368103,128.556106567383,13.824369430542,11.0784463882446,-0.287458896636963
InChI%3D1S%2FC2H3Cl3O2%2Fc3-2%284%2C5%291%286%297%2Fh1%2C6-7H,1.47619736194611,0.60530686378479,34.9710578918457,0.490317463874817,5.02549982070923,11.998706817627,0.343333184719086,3.53215980529785,0.201271250844002,1.7032687664032,0.680162310600281,0.128019005060196,0.380573064088821,0.294703423976898,0.995900630950928,8.06524181365967,3.3793318271637,10.2115564346313,-0.36408331990242
InChI%3D1S%2FC7H8ClN%2Fc1-5-4-6%288%292-3-7%285%299%2Fh2-4H%2C9H2%2C1H3,1.24406707286835,0.548627436161041,34.9688529968262,0.558566987514496,5.83869504928589,11.9935121536255,0.0730936080217361,9.12853717803955,0.0167359672486782,3.43241333961487,0.100733287632465,0.177699431777,0.13687264919281,0.412998139858246,2.48582339286804,16.0070018768311,6.01897001266479,8.65001678466797,-0.336609929800034
InChI%3D1S%2FC42H50Cl4N2O4%2Fc1-42-17-16-36-35-13-11-34%2851-40%2849%2926-29-2-7-32%288-3-29%2947%2822-18-43%2923-19-44%2928-31%2835%296-12-37%2836%2938%2842%2914-15-39%2842%2952-41%2850%2927-30-4-9-33%2810-5-30%2948%2824-20-45%2925-21-46%2Fh2-5%2C7-11%2C13%2C28%2C36-39H%2C6%2C12%2C14-27H2%2C1H3,1.54032397270203,0.621249973773956,34.9720153808594,0.51437383890152,4.83483362197876,11.9984951019287,0.271376609802246,540.198913574219,0.0427647233009338,34.593921661377,2.113938331604,0.274873197078705,0.404700130224228,0.257404327392578,12.7239656448364,1520.12683105469,49.4318237304688,11.9044675827026,-0.311660349369049
InChI%3D1S%2FC3H7N3O3%2Fc4-3%288%296%285-9%291-2-7%2Fh7H%2C1-2H2%2C%28H2%2C4%2C8%29,1.41763722896576,0.503885388374329,16.0169315338135,0.534879565238953,3.2210738658905,11.9989995956421,0.233517661690712,6.88489389419556,0.144667595624924,3.07684874534607,0.727065682411194,0.209161058068275,0.3788723051548,0.243117645382881,1.22185266017914,14.6440324783325,5.02576684951782,7.19338083267212,-0.394356518983841
InChI%3D1S%2FC12H10FN%2Fc13-11-5-1-9%282-6-11%2910-3-7-12%2814%298-4-10%2Fh1-8H%2C14H2,1.6406022310257,0.53594571352005,18.998405456543,0.55098295211792,4.04070329666138,11.8500003814697,0.123359344899654,19.529764175415,0.0309878531843424,8.96745872497559,0.343273162841797,0.357130825519562,0.553673565387726,0.159504398703575,1.76693689823151,36.046573638916,11.0776691436768,9.53014469146729,-0.302491635084152
InChI%3D1S%2FC23H36N2O2%2Fc1-21%282%2C3%2925-20%2827%2917-8-7-15-14-6-9-18-23%285%2C13-11-19%2826%2924-18%2916%2814%2910-12-22%2815%2C17%294%2Fh11%2C13-18H%2C6-10%2C12H2%2C1-5H3%2C%28H%2C24%2C26%29%28H%2C25%2C27%29,1.45445811748505,0.537672936916351,15.9959278106689,0.384802877902985,5.22136735916138,11.8900003433228,0.160063564777374,54.5881767272949,0.171836480498314,6.23357439041138,2.27797770500183,0.102666579186916,0.53198230266571,0.357941418886185,4.74510765075684,135.22509765625,13.2566604614258,12.4836111068726,-0.348354429006577
InChI%3D1S%2FC8H6N4O4S%2Fc1-4%2813%299-8-11-10-7%2817-8%295-2-3-6%2816-5%2912%2814%2915%2Fh2-3H%2C1H3%2C%28H%2C9%2C11%2C13%29,1.13820517063141,0.603974759578705,31.9720726013184,0.450896799564362,3.45917582511902,11.9962921142578,0.277969568967819,32.8799819946289,0.00378842791542411,15.1263074874878,0.0655053779482841,0.406109422445297,0.0833335816860199,0.121399000287056,2.0990993976593,52.2507934570312,17.2909126281738,10.5850076675415,-0.372283726930618
InChI%3D1S%2FC6H13NO%2Fc1-2-3-4-5-6%287%298%2Fh2-5H2%2C1H3%2C%28H2%2C7%2C8%29,1.44436728954315,0.587652504444122,15.9979429244995,0.454153716564178,4.4799633026123,11.9963550567627,0.156153500080109,11.235764503479,0.0986920744180679,5.24044370651245,0.711886465549469,0.294879972934723,0.402561098337173,0.174801290035248,1.26087808609009,23.1528053283691,7.21320867538452,7.10289907455444,-0.372406810522079
InChI%3D1S%2FC33H40N2O9%2Fc1-38-19-7-8-20-21-9-10-35-16-18-13-27%2844-32%2836%2917-11-25%2839-2%2930%2841-4%2926%2812-17%2940-3%2931%2842-5%2928%2833%2837%2943-6%2922%2818%2915-24%2835%2929%2821%2934-23%2820%2914-19%2Fh7-8%2C11-12%2C14%2C18%2C22%2C24%2C27-28%2C31%2C34H%2C9-10%2C13%2C15-16H2%2C1-6H3,0.971086204051971,0.235511749982834,16.0029983520508,0.306105524301529,4.87895727157593,11.8999996185303,0.293956637382507,209.101165771484,0.18610592186451,12.961404800415,4.84305238723755,0.123554840683937,0.429468899965286,0.315820962190628,8.2186393737793,751.030944824219,26.0230960845947,11.7665977478027,-0.377371728420258
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%29,1.42205846309662,0.510140240192413,31.9720726013184,0.432984530925751,5.46138477325439,11.8500003814697,0.119251184165478,28.068567276001,0.0962553918361664,8.5275707244873,1.1134375333786,0.30289900302887,0.478933691978455,0.166545927524567,1.92652559280396,57.9283027648926,11.5675344467163,10.5310735702515,-0.302564024925232
InChI%3D1S%2FC2H4O%2Fc1-2-3-1%2Fh1-2H2,1.50971555709839,0.730315387248993,15.9974164962769,0.571428596973419,3.54168629646301,11.997163772583,0.0920329913496971,0.927947819232941,0.128883898258209,1.14864563941956,0.23952342569828,0.21355152130127,0.207971587777138,0.253047406673431,0.470274329185486,2.91577672958374,1.85844337940216,3.97737240791321,-0.397339552640915
InChI%3D1S%2FC9H6O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-6H,1.22435593605042,0.566946446895599,15.9977855682373,0.520643770694733,4.12385606765747,11.9967565536499,0.266850382089615,10.4309902191162,0.0359771363437176,4.5717568397522,0.242864772677422,0.257933020591736,0.136765658855438,0.286778807640076,1.93590939044952,19.330997467041,6.75053119659424,8.57438373565674,-0.303208827972412
InChI%3D1S%2FC7H10N2%2Fc8-9-6-7-4-2-1-3-5-7%2Fh1-5%2C9H%2C6%2C8H2,1.23055875301361,0.532609224319458,14.0040807723999,0.390082329511642,4.75879335403442,11.8500003814697,0.0905170068144798,10.9831867218018,0.0537168942391872,5.73444795608521,0.405563920736313,0.319645196199417,0.307867258787155,0.186756178736687,1.41001391410828,21.8124618530273,7.55002546310425,8.31838130950928,-0.270762056112289
InChI%3D1S%2FC2H5N3O2%2Fc1-5%284-7%292%283%296%2Fh1H3%2C%28H2%2C3%2C6%29,1.28279995918274,0.112348787486553,15.9982595443726,0.582750916481018,3.05924677848816,11.9966869354248,0.25370928645134,27.7975006103516,0.129831701517105,7.12928152084351,1.37880158424377,0.253484398126602,0.587700247764587,0.198855772614479,2.1118311882019,59.1764297485352,10.6199140548706,6.44700574874878,-0.355067610740662
InChI%3D1S%2FC10H5Cl7%2Fc11-4-2-1-3-5%284%299%2815%297%2813%296%2812%298%283%2C14%2910%289%2C16%2917%2Fh1-5H,1.28010952472687,0.483357399702072,34.9749450683594,0.436266183853149,7.45921230316162,11.9985313415527,0.260443121194839,13.6327724456787,0.18585179746151,3.45126128196716,1.24235165119171,0.137223154306412,0.360485970973969,0.297850668430328,1.99102342128754,28.8542804718018,6.68463611602783,15.644510269165,-0.16647632420063
InChI%3D1S%2FC6H8N2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H%2C7-8H2,1.30668675899506,0.575476944446564,14.0092792510986,0.576872766017914,5.67403602600098,11.9935512542725,0.0639757141470909,7.77942848205566,0.00697226822376251,3.06405758857727,0.0388473011553288,0.16245011985302,0.154336988925934,0.443094223737717,2.46878266334534,13.6449756622314,5.57168769836426,7.88406467437744,-0.334188550710678
InChI%3D1S%2FC8H6N4O5%2Fc13-6-4-11%288%2814%2910-6%299-3-5-1-2-7%2817-5%2912%2815%2916%2Fh1-3H%2C4H2%2C%28H%2C10%2C13%2C14%29,1.19381868839264,0.570119380950928,15.9989347457886,0.448816239833832,3.3716356754303,11.8999996185303,0.34438556432724,22.91916847229,0.013655330054462,12.5423097610474,0.195879831910133,0.405769526958466,0.174883097410202,0.11198528110981,1.60638070106506,41.2102699279785,14.3445701599121,8.25598335266113,-0.346941888332367
InChI%3D1S%2FC7H5N3O2%2Fc11-10%2812%295-1-2-6-7%283-5%299-4-8-6%2Fh1-4H%2C%28H%2C8%2C9%29,1.2104207277298,0.536298811435699,15.9959211349487,0.482790440320969,3.59579682350159,11.8500003814697,0.256289482116699,11.0239629745483,0.0153975607827306,5.22969245910645,0.112335734069347,0.287615060806274,0.191331416368484,0.267782330513,1.95365524291992,19.4673824310303,7.29568338394165,8.202392578125,-0.207846507430077
InChI%3D1S%2FC13H13N3%2Fc1-7-12-11%288%282%2915-13%287%2914%299-5-3-4-6-10%289%2916-12%2Fh3-6%2C16H%2C1-2H3%2C%28H2%2C14%2C15%29,1.18758952617645,0.450261563062668,14.0050935745239,0.438755720853806,5.97975826263428,11.8999996185303,0.0992720574140549,25.7935256958008,0.117091961205006,5.64338636398315,1.12879943847656,0.18904735147953,0.298572242259979,0.297511577606201,2.86809515953064,53.7042922973633,9.64028072357178,11.0772953033447,-0.292918741703033
InChI%3D1S%2FC6H9NO6%2Fc8-4%289%291-7%282-5%2810%2911%293-6%2812%2913%2Fh1-3H2%2C%28H%2C8%2C9%29%28H%2C10%2C11%29%28H%2C12%2C13%29,1.43627154827118,0.471115291118622,16.0007858276367,0.486988753080368,3.88559365272522,11.9963550567627,0.292727530002594,16.2744293212891,0.139547243714333,3.3862452507019,1.02085626125336,0.0971652939915657,0.478167504072189,0.397565692663193,2.90838766098022,33.6438331604004,7.31548929214478,8.50413036346436,-0.35003873705864
InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2,1.81988334655762,0.514665007591248,34.9701538085938,0.80521833896637,5.09803342819214,11.998706817627,0.110870480537415,1.81031179428101,0.159026205539703,1.37452507019043,0.395290672779083,0.164730563759804,0.5,0.287999719381332,0.715879559516907,4.68497085571289,2.48569512367249,6.81075191497803,-0.214484810829163
InChI%3D1S%2FC17H20N2O%2Fc1-18%282%2915-9-5-13%286-10-15%2917%2820%2914-7-11-16%2812-8-14%2919%283%294%2Fh5-12H%2C1-4H3,1.4724326133728,0.605695903301239,15.9949197769165,0.461125820875168,5.53189325332642,11.9933195114136,0.192921474575996,62.8630332946777,0.0285801496356726,18.7918262481689,0.630162715911865,0.389207720756531,0.405610948801041,0.119142889976501,2.62697744369507,116.02042388916,22.0489654541016,9.60779476165771,-0.319636195898056
InChI%3D1S%2FC11H8N2O5%2Fc12-11%2814%298%289-2-1-5-17-9%296-7-3-4-10%2818-7%2913%2815%2916%2Fh1-6H%2C%28H2%2C12%2C14%29,,,16.0016937255859,,3.41343760490417,11.9937677383423,0.27817490696907,,,,,,,,,,,9.94519424438477,-0.401569694280624
InChI%3D1S%2FC6H4O2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H,1.33710217475891,0.481687128543854,15.9959173202515,0.531895875930786,4.38775014877319,11.8000001907349,0.189550459384918,4.71997976303101,9.95178339735503e-09,2.19180059432983,4.32432045727182e-08,0.128307864069939,0.323519110679626,0.4955894947052,2.15347123146057,9.06525135040283,4.34527206420898,7.11116981506348,-0.290472775697708
InChI%3D1S%2FC11H14N2O4%2Fc12-10%2814%2916-6-9%287-17-11%2813%2915%298-4-2-1-3-5-8%2Fh1-5%2C9H%2C6-7H2%2C%28H2%2C12%2C14%29%28H2%2C13%2C15%29,1.21388781070709,0.435355514287949,15.9979295730591,0.342664361000061,4.29689455032349,11.8500003814697,0.276499420404434,30.0440578460693,0.144254609942436,5.7752480506897,1.47418940067291,0.173846229910851,0.435867935419083,0.290617078542709,2.96991968154907,65.5487442016602,10.2193574905396,9.7864465713501,-0.326867401599884
InChI%3D1S%2FC9H15Br6O4P%2Fc10-1-7%2813%294-17-20%2816%2C18-5-8%2814%292-11%2919-6-9%2815%293-12%2Fh7-9H%2C1-6H2,1.39840829372406,0.510791063308716,78.9233703613281,0.452251464128494,4.27224493026733,11.9988422393799,0.454091250896454,61.1061058044434,0.0896399542689323,8.35493564605713,1.33085215091705,0.172061935067177,0.435365796089172,0.347610801458359,5.16085243225098,133.337219238281,14.846640586853,10.6298980712891,-0.282610952854156
InChI%3D1S%2FC13H17N3O4S%2Fc1-10-12%2814%282%299-21%2818%2C19%2920%2913%2817%2916%2815%2810%293%2911-7-5-4-6-8-11%2Fh4-8H%2C9H2%2C1-3H3%2C%28H%2C18%2C19%2C20%29,1.25127410888672,0.436104893684387,31.9728298187256,0.47825488448143,5.83389377593994,11.9989995956421,0.299504488706589,40.784122467041,0.0866725295782089,10.5108776092529,1.22330284118652,0.308531612157822,0.336914390325546,0.168618634343147,2.37989664077759,85.4988784790039,14.1140775680542,11.2671213150024,-0.305180907249451
InChI%3D1S%2FC7H8N2O2%2Fc1-5-2-3-6%289%2810%2911%294-7%285%298%2Fh2-4H%2C8H2%2C1H3,1.13279497623444,0.512897968292236,15.9959201812744,0.494607627391815,3.59801554679871,11.8500003814697,0.255158215761185,11.6030139923096,0.0127052590250969,4.78676509857178,0.0910610258579254,0.250903844833374,0.125289335846901,0.319422960281372,2.28936553001404,19.7681121826172,7.16719150543213,8.2379035949707,-0.322605133056641
InChI%3D1S%2FC9H7N3O2S%2Fc10-9-11-8%285-15-9%296-1-3-7%284-2-6%2912%2813%2914%2Fh1-5H%2C%28H2%2C10%2C11%29,1.40494656562805,0.513594448566437,31.9720726013184,0.507732510566711,3.581618309021,11.9989995956421,0.175446391105652,19.5066623687744,0.0859159454703331,7.6549825668335,0.861956357955933,0.322260767221451,0.383619636297226,0.151069715619087,1.51561510562897,39.5396385192871,10.0325536727905,10.4095087051392,-0.2833231985569
InChI%3D1S%2FC20H16%2Fc1-13-16-8-5-6-9-17%2816%2914%282%2920-18%2813%2912-11-15-7-3-4-10-19%2815%2920%2Fh3-12H%2C1-2H3,0.87143486738205,0.324272513389587,12.1502704620361,0.379519432783127,7.16275787353516,11.8500003814697,0.118216030299664,612.004577636719,0.00822322629392147,87.9065780639648,0.779678761959076,0.445359170436859,0.167642936110497,0.0646312162280083,6.12795829772949,1126.822265625,94.8142166137695,11.7756671905518,-0.184649363160133
InChI%3D1S%2FC3H7N5O3%2Fc1-2-5-3%284%297%286-9%298%2810%2911%2Fh2H2%2C1H3%2C%28H2%2C4%2C5%29,1.35649502277374,0.556491911411285,,0.390939056873322,,,,10.4431705474854,0.162807807326317,3.74912762641907,1.00264084339142,0.206584632396698,0.409064084291458,0.228412687778473,1.4066641330719,21.8892936706543,6.1584324836731,,
InChI%3D1S%2FC12H10ClNO%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C14H2,1.19295966625214,0.545495092868805,34.9688529968262,0.355941832065582,5.53903722763062,11.8500003814697,0.118355363607407,23.6200904846191,0.0851042419672012,9.94125938415527,1.03748369216919,0.361607253551483,0.291522711515427,0.099419429898262,1.21199631690979,48.3112297058105,12.1907396316528,8.57056617736816,-0.310048550367355
InChI%3D1S%2FC3H8N2%2Fc1-2-3-5-4%2Fh2%2C5H%2C1%2C3-4H2,1.54705941677094,0.533865392208099,14.1130771636963,0.543878674507141,4.47300291061401,11.9989995956421,0.0279659405350685,4.49800252914429,0.14215911924839,2.93978977203369,0.612934350967407,0.261373579502106,0.469315350055695,0.176009446382523,0.758883714675903,10.177041053772,4.311607837677,6.30200624465942,-0.373645186424255
InChI%3D1S%2FC2H5BrO%2Fc3-1-2-4%2Fh4H%2C1-2H2,1.54264152050018,0.751172482967377,78.9185180664062,0.435508906841278,4.10249853134155,11.9989070892334,0.104870960116386,2.00600385665894,0.180222287774086,1.26020205020905,0.459471136331558,0.120724886655807,0.355960100889206,0.325477868318558,0.829795658588409,5.03594636917114,2.54946899414062,7.22680854797363,-0.394338667392731
InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh1%2C3H2%2C2H3,1.42122256755829,0.598542273044586,34.9693794250488,0.511166751384735,5.32911539077759,11.9985990524292,0.112629309296608,4.06790971755981,0.101047746837139,1.77258658409119,0.377020210027695,0.106312230229378,0.311513513326645,0.423869282007217,1.58150267601013,8.85593891143799,3.73110938072205,7.40600967407227,-0.211715161800385
InChI%3D1S%2FC4H9NO2%2Fc1-4%282%293-7-5-6%2Fh4H%2C3H2%2C1-2H3,1.20330166816711,0.397890090942383,16.0168704986572,0.322284877300262,2.50732326507568,11.9989995956421,0.229499146342278,10.5720157623291,0.139770910143852,3.46321058273315,0.850056648254395,0.17707984149456,0.483126729726791,0.290789306163788,1.76851809024811,21.8601856231689,6.08178520202637,6.83800363540649,-0.244230672717094
InChI%3D1S%2FC5H10Br2O2%2Fc6-1-5%282-7%2C3-8%294-9%2Fh8-9H%2C1-4H2,1.31256568431854,0.39357402920723,78.91943359375,0.410841792821884,5.10343742370605,11.9988565444946,0.0948595255613327,7.24476337432861,0.260021984577179,1.82116568088531,1.22022688388824,0.0410584472119808,0.508149802684784,0.351900100708008,1.65139102935791,15.6073265075684,4.69278335571289,11.2255029678345,-0.395963549613953
InChI%3D1S%2FC2Cl2%2Fc3-1-2-4,8407956848640.0,0.576102495193481,34.9701538085938,0.576102435588837,4.83736896514893,11.998706817627,0.128251567482948,2.41433456560358e-10,3.90691167594188e-17,2.52377438545227,9.86016296996603e-17,0.5,8407956848640.0,3.7904953481549e-11,9.56635465287903e-11,2.52377438545227,2.52377438545227,6.08241701126099,-0.128214880824089
InChI%3D1S%2FC14H7ClF3NO5%2Fc15-10-5-7%2814%2816%2C17%2918%291-4-12%2810%2924-8-2-3-11%2819%2822%2923%299%286-8%2913%2820%2921%2Fh1-6H%2C%28H%2C20%2C21%29,1.30537033081055,0.556563258171082,34.9688529968262,0.418011456727982,3.6125431060791,11.9974088668823,0.416929841041565,43.0456657409668,0.06650710105896,12.189248085022,1.03255879878998,0.338831961154938,0.330795645713806,0.148383602499962,2.30373597145081,87.566291809082,15.5255422592163,9.57289028167725,-0.35851177573204
InChI%3D1S%2FC6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299,1.272824883461,0.465667307376862,34.9739570617676,0.465668231248856,7.47172689437866,11.9985628128052,0.167216703295708,8.07979965209961,4.21100443404043e-09,2.84251236915588,2.39395490098104e-08,0.125001788139343,0.341489404439926,0.499997615814209,2.84248518943787,13.7647972106934,5.68499755859375,11.3837738037109,-0.167001381516457
InChI%3D1S%2FC7H3Cl5O%2Fc1-13-7-5%2811%293%289%292%288%294%2810%296%287%2912%2Fh1H3,1.01208388805389,0.15584123134613,34.9729766845703,0.392134666442871,5.45521450042725,11.9985513687134,0.172318279743195,37.5171813964844,0.0579386949539185,11.0758171081543,0.827662825584412,0.331503450870514,0.464108020067215,0.166723385453224,2.38166832923889,73.6351852416992,14.2851476669312,11.2708101272583,-0.344554662704468
InChI%3D1S%2FC8H15N3O7%2Fc1-11%2810-18%298%2817%299-4%282-12%296%2815%297%2816%295%2814%293-13%2Fh2%2C4-7%2C13-16H%2C3H2%2C1H3%2C%28H%2C9%2C17%29,0.817136287689209,0.0371470600366592,16.0016536712646,0.387275457382202,3.26925539970398,11.9962921142578,0.236468508839607,321.938385009766,0.031765952706337,46.5954818725586,1.69381654262543,0.405391126871109,0.392713785171509,0.0943791940808296,5.0324649810791,772.443420410156,53.3217620849609,9.061354637146,-0.418066412210464
InChI%3D1S%2FC12H9NO%2Fc13-8-5-6-12-10%287-8%299-3-1-2-4-11%289%2914-12%2Fh1-7H%2C13H2,1.28347384929657,0.578525543212891,15.9949178695679,0.529212176799774,5.80692338943481,11.8500003814697,0.143710494041443,19.5046005249023,0.000581387081183493,8.24380302429199,0.00616736011579633,0.332847505807877,0.175736159086227,0.222288623452187,2.35803985595703,30.2324981689453,10.6080093383789,9.73057842254639,-0.308807671070099
InChI%3D1S%2FC12H12N2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10%2C13-14H,1.63574707508087,0.571235239505768,14.0040864944458,0.53965437412262,6.54538106918335,11.8500003814697,0.0988121852278709,25.0937480926514,0.10720569640398,8.53536319732666,1.20720362663269,0.318487077951431,0.524857521057129,0.134811520576477,1.51806271076202,51.9963760375977,11.2606296539307,8.66844177246094,-0.222967281937599
InChI%3D1S%2FC9H4Cl6O4%2Fc10-3-4%2811%298%2813%292%286%2818%2919%291%285%2816%2917%297%283%2C12%299%288%2C14%2915%2Fh1-2H%2C%28H%2C16%2C17%29%28H%2C18%2C19%29,1.14368546009064,0.380446195602417,34.9739608764648,0.408096432685852,5.2109375,11.9985370635986,0.267359584569931,17.1951522827148,0.180723607540131,3.11275792121887,1.3337299823761,0.0663396120071411,0.355142861604691,0.397490233182907,2.93345546722412,36.7535667419434,7.37994337081909,15.1798362731934,-0.332215249538422
InChI%3D1S%2FC4H6O2%2Fc1-3-6-4%282%295%2Fh3H%2C1H2%2C2H3,1.20466089248657,0.624033451080322,16.0060234069824,0.4139723777771,3.58210253715515,11.988787651062,0.336067348718643,4.58501529693604,0.0236751046031713,4.55312871932983,0.131056487560272,0.366885542869568,0.166655048727989,0.15381084382534,0.851438999176025,10.6287078857422,5.53562450408936,5.5402684211731,-0.339034646749496
InChI%3D1S%2FC12H14N4O2S%2Fc1-8-7-9%282%2915-12%2814-8%2916-19%2817%2C18%2911-5-3-10%2813%294-6-11%2Fh3-7H%2C13H2%2C1-2H3%2C%28H%2C14%2C15%2C16%29,1.41254436969757,0.551823496818542,31.9720726013184,0.48276287317276,5.72628784179688,11.8500003814697,0.24744288623333,51.879508972168,0.0879379585385323,10.459789276123,1.32010686397552,0.272578418254852,0.377958059310913,0.215290814638138,3.23190212249756,111.517539978027,15.0117979049683,11.4853992462158,-0.302525997161865
InChI%3D1S%2FC14H9NO2%2Fc15-8-5-6-11-12%287-8%2914%2817%2910-4-2-1-3-9%2810%2913%2811%2916%2Fh1-7H%2C15H2,1.39595413208008,0.548051655292511,15.9959230422974,0.533119261264801,5.52396297454834,11.8500003814697,0.195505529642105,25.3398399353027,0.0124397194013,9.39027500152588,0.149883106350899,0.334517419338226,0.314783185720444,0.208203718066216,2.50859522819519,40.9193000793457,12.0487537384033,10.0913963317871,-0.302582800388336
InChI%3D1S%2FC6H12N2%2Fc1-3-5-8%287%296-4-2%2Fh3-4H%2C1-2%2C5-7H2,1.28130924701691,0.44958707690239,14.0040798187256,0.330337882041931,5.19157028198242,11.789999961853,0.121632628142834,11.5554714202881,0.0972621068358421,5.12208986282349,0.699419796466827,0.284212678670883,0.501384258270264,0.190454319119453,1.36957275867462,23.6530361175537,7.19108247756958,7.91100692749023,-0.29921618103981
InChI%3D1S%2FC13H12N4%2Fc1-17-11-7-10%289-5-3-2-4-6-9%298-15-12%2811%2916-13%2817%2914%2Fh2-8H%2C1H3%2C%28H2%2C14%2C15%2C16%29,1.48568761348724,0.570783913135529,14.0061006546021,0.522051692008972,5.66262340545654,11.8500003814697,0.157773166894913,31.2361755371094,0.0347313582897186,10.9432973861694,0.475769609212875,0.349148601293564,0.392852038145065,0.166403859853745,2.27949333190918,56.8028907775879,13.6985607147217,9.97917556762695,-0.278200656175613
InChI%3D1S%2FC6H6N4O4%2Fc7-6%2811%299-8-3-4-1-2-5%2814-4%2910%2812%2913%2Fh1-3H%2C%28H3%2C7%2C9%2C11%29,,,16.0169982910156,,3.3362238407135,11.9989995956421,0.278227478265762,,,,,,,,,,,7.75269746780396,-0.33490201830864
InChI%3D1S%2FC16H22N4O3%2Fc1-3-6-13-14%289-8-12%2811%282%2921%2916%2813%2922%2923-10-5-4-7-15-17-19-20-18-15%2Fh8-9%2C22H%2C3-7%2C10H2%2C1-2H3%2C%28H%2C17%2C18%2C19%2C20%29,1.43685102462769,0.546939253807068,16.0061473846436,0.480585724115372,4.67104148864746,11.9884653091431,0.244207054376602,73.1639404296875,0.144395291805267,7.9639573097229,2.25559997558594,0.132367625832558,0.409326076507568,0.345781207084656,5.40145111083984,185.813934326172,15.6210088729858,10.0594606399536,-0.375920444726944
InChI%3D1S%2FC5H9NO%2Fc1-6-4-2-3-5%286%297%2Fh2-4H2%2C1H3,1.56510710716248,0.579196929931641,16.0059242248535,0.504112482070923,4.2309398651123,11.9887399673462,0.281054526567459,5.84027910232544,0.0842744931578636,2.88017964363098,0.396965622901917,0.208589494228363,0.481797724962234,0.30427286028862,1.43324339389801,12.189341545105,4.71038866043091,7.24850797653198,-0.358892798423767
InChI%3D1S%2FC5H12N2O%2Fc1-2-3-4-7%286%295-8%2Fh5H%2C2-4%2C6H2%2C1H3,1.53578436374664,0.581832885742188,16.0059261322021,0.458668142557144,3.59969663619995,11.9887399673462,0.280906409025192,9.61684417724609,0.115856111049652,5.08397579193115,0.790995061397552,0.308482944965363,0.495283365249634,0.139499962329865,0.952420830726624,20.274299621582,6.82739162445068,7.1509051322937,-0.361411452293396
InChI%3D1S%2FC6H10O2%2Fc1-2-3-7-4-6-5-8-6%2Fh2%2C6H%2C1%2C3-5H2,1.34272050857544,0.567080855369568,15.997784614563,0.479917258024216,4.57368421554565,11.9968357086182,0.105026327073574,9.31084156036377,0.0560217350721359,6.99630308151245,0.46348112821579,0.384241104125977,0.295722395181656,0.0983234643936157,0.813453435897827,20.2218284606934,8.27323818206787,6.24827432632446,-0.391441583633423
InChI%3D1S%2FC2H6O3S%2Fc1-5-6%282%2C3%294%2Fh1-2H3,1.61385762691498,0.641052484512329,31.9748306274414,0.527589380741119,5.28511953353882,11.9989995956421,0.345498919487,4.4312858581543,0.116934910416603,3.3747763633728,0.535719156265259,0.302475810050964,0.44521576166153,0.146430671215057,0.67084938287735,10.2254810333252,4.58134508132935,7.58499145507812,-0.280155211687088
InChI%3D1S%2FC11H9N3%2Fc12-10-6-5-8-7-3-1-2-4-9%287%2913-11%288%2914-10%2Fh1-6H%2C%28H3%2C12%2C13%2C14%29,1.29782843589783,0.500128507614136,14.0085563659668,0.502067744731903,5.50819826126099,11.994402885437,0.101742751896381,18.2950458526611,0.052114125341177,6.81759405136108,0.487504154443741,0.296599894762039,0.295632243156433,0.219086036086082,2.04945111274719,34.4611625671387,9.35454940795898,10.1208868026733,-0.293202817440033
InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H,1.33032894134521,0.593677401542664,15.9949169158936,0.501384139060974,6.25058889389038,11.8500003814697,0.115795120596886,8.37108993530273,0.0307674221694469,4.07902717590332,0.186137229204178,0.255679935216904,0.235267400741577,0.294992685317993,1.78465127944946,15.775918006897,6.04981565475464,8.19418430328369,-0.34482878446579
InChI%3D1S%2FC12H12N2%2Fc13-11-5-1-9%282-6-11%2910-3-7-12%2814%298-4-10%2Fh1-8H%2C13-14H2,1.60377705097198,0.533620297908783,14.0040864944458,0.534352540969849,5.60770702362061,11.8500003814697,0.102058783173561,22.5251846313477,0.0762100517749786,10.8395433425903,0.977512955665588,0.383814215660095,0.535804271697998,0.078704334795475,1.00950610637665,46.0482635498047,12.8265619277954,9.60494995117188,-0.303442746400833