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

SMILES,BCUTc-1h,VP-6,WT.unity,HBA1,MDEC-33,C2SP2,MolecularWeight,RHSA,VP-7,khs.dS,WK.unity,Wlambda1.unity,ATSm1,BCUTc-1l,Wlambda2.unity,PNSA-1,ATSp1,WD.unity,ATSm2,PNSA-2,ATSp2,RNCS,Wlambda3.unity,ATSm3,PNSA-3,ATSp3,ATSm4,ATSp4,ATSm5,MDEO-22,RotatableBonds,FPSA-1,RPCS,fragC,FPSA-2,BCUTw-1h,KierShape2,FPSA-3,KierShape3,MDEC-12,ATSp5,MDEC-13,ALogP,BCUTw-1l,RPSA,PetitjeanNumber,WPSA-1,Weta3.unity,MLogP,WPSA-2,FNSA-1,NumberOfHal,WPSA-3,SC-3,TopoPSA,FNSA-2,bpol,MDEN-22,FNSA-3,SC-5,topoShape,SP-4,FractionRotatableBonds,THSA,SP-5,Wnu2.unity,khs.dsN,WA.unity,ATSc1,LogP,SP-7,ATSc2,MDEC-22,BCUTp-1h,ATSc3,MDEC-23,khs.dsssP,AMR,SPC-4,ATSc4,PPSA-1,SPC-5,WV.unity,ATSc5,nRotB,PPSA-2,SPC-6,Wnu1.unity,khs.ssO,PPSA-3,ECCEN,VPC-4,BCUTp-1l,Weta2.unity,VPC-5,XLogP,SCH-5,VPC-6,nAtomLC,PolarSurfaceArea,nHBAcc,Kier2,SCH-6,WNSA-1,VCH-5,nAtomP,MDEO-11,khs.ssS,Kier3,SCH-7,DPSA-1,WNSA-2,VP-0,VCH-6,RNCG,DPSA-2,MolarRefractivity,TPSA,VC-3,WNSA-3,VP-1,MDEO-12,VC-4,DPSA-3,geomShape,VP-2,VCH-7,khs.sOH,VC-5,khs.dO,Weta1.unity,VP-3,RPCG,VP-4,ALogp2,VP-5
InChI%3D1S%2FC13H12BrCl2N3O%2Fc14-9-4-13%2820-5-9%2C6-19-8-17-7-18-19%2911-2-1-10%2815%293-12%2811%2916%2Fh1-3%2C7-9H%2C4-6H2,0.128000393509865,1.76239788532257,12.1354551315308,3.0,2.18224716186523,5.0,364.972992897034,0.928961157798767,0.948762476444244,0.0,0.22753244638443,1.39363312721252,80.5380325317383,-0.366448760032654,3.01505708694458,257.608001708984,1671.08520507812,1.41446852684021,33.411247253418,-416.893096923828,1986.61828613281,0.580274045467377,7.72676515579224,53.8253860473633,-36.9931716918945,2874.470703125,54.1557273864746,2678.61987304688,63.4700775146484,0.0,3.0,0.58215457201004,1.93660056591034,1064.06994628906,0.942114531993866,78.9183349609375,6.01171875,0.0381659343838692,3.12244897959184,0.0,2609.24438476562,0.0,1.80680000782013,11.9985208511353,0.0710388123989105,0.444444447755814,221.271636962891,0.46106806397438,2.11999988555908,358.089111328125,0.417845398187637,3.0,14.5065231323242,1.74481725692749,,-0.676209092140198,23.5173110961914,0.5,-0.0600036755204201,0.260110020637512,0.800000011920929,6.47003507614136,0.136363636363636,572.718566894531,4.40848445892334,0.248450264334679,0.0,38.2667961120605,0.422011852264404,3.6642,2.07287216186523,-0.204527392983437,7.63563060760498,12.5841312408447,-0.0625816434621811,10.8951015472412,0.0,86.92919921875,3.48787593841553,0.0842152461409569,358.907104492188,6.45834922790527,82.8692169189453,-0.0374845713376999,3.0,580.827819824219,8.3285026550293,0.114839792251587,1.0,23.5298748016357,301.0,2.23521614074707,6.40316152572632,0.450614929199219,3.84781551361084,1.83399999141693,0.246399641036987,4.60160636901855,0.0,39.94,4.0,6.01171875,0.403259873390198,158.819213867188,0.114827267825603,6.0,0.0,0.0,3.12244892120361,0.511249542236328,101.299102783203,-257.020904541016,13.9321451187134,0.250441700220108,0.226395592093468,997.720947265625,81.446,43.796501159668,1.4749641418457,-22.806848526001,8.18894577026367,0.0,0.0510310381650925,60.5230484008789,0.802934885025024,7.31041860580444,0.297251284122467,0.0,0.124996617436409,0.0,0.502785563468933,4.8261604309082,0.0881587639451027,4.03802442550659,3.26452612876892,2.58812427520752
InChI%3D1S%2FC12H14N2%2Fc1-13-7-3-11%284-8-13%2912-5-9-14%282%2910-6-12%2Fh3-10H%2C1-2H3,0.0923313945531845,1.09885156154633,12.0688095092773,2.0,1.0,0.0,172.14599609375,0.971687734127045,0.589834570884705,0.0,0.327063918113708,0.990332186222076,14.7199764251709,-0.306241393089294,1.79251110553741,36.401798248291,944.191284179688,1.52147233486176,15.9971113204956,-30.8613910675049,1063.29992675781,2.85249042510986,9.28596591949463,20.6647415161133,-4.50718402862549,1397.30212402344,18.3323707580566,1250.13012695312,12.3323707580566,0.0,0.0,0.922065436840057,1.00361227989197,1187.02001953125,0.781725704669952,14.0040864944458,4.68,0.0340317003428936,2.75,4.01577949523926,823.581909179688,0.894427180290222,1.37639999389648,11.8999996185303,0.0283122714608908,0.444444447755814,201.162628173828,0.544697880744934,2.55999994277954,170.545379638672,0.077934555709362,0.0,7.4245343208313,0.910683631896973,,-0.0660727992653847,28.0105533599854,0.0,-0.0096496706828475,0.0833333358168602,0.800000011920929,3.51453518867493,0.0,453.857482910156,3.00613451004028,0.148524269461632,0.0,27.616569519043,0.197275653481483,2.1044,1.04034233093262,-0.125174596905708,9.90748405456543,10.0116062164307,-0.022059790790081,8.59655952453613,0.0,61.7238006591797,1.75930559635162,0.0430801846086979,430.679809570312,2.1989119052887,56.1696510314941,0.0414571054279804,0.0,365.129730224609,2.88035488128662,0.0820571556687355,0.0,15.8955821990967,200.0,1.33956229686737,5.90059566497803,0.56233537197113,1.57294845581055,-0.225999996066093,0.0,1.85278844833374,0.0,6.48,2.0,4.67999982833862,0.16666667163372,17.0026111602783,0.0,2.0,0.0,0.0,2.75,0.262891709804535,394.278015136719,-14.4147882461548,9.5512809753418,0.111803397536278,0.360040009021759,395.991119384766,54.6724,13.2241411209106,0.697213590145111,-2.10522270202637,5.82355165481567,0.0,0.0,20.4027671813965,0.74873548746109,4.81365871429443,0.167705103754997,0.0,0.0625,0.0,0.414439111948013,3.68120312690735,0.0509170144796371,2.48398947715759,1.89447700977325,1.93499660491943
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,0.330760270357132,1.0295535326004,10.5913572311401,1.0,1.53261888027191,10.0,361.417990684509,0.902155756950378,0.785712778568268,,0.208885043859482,1.51512801647186,59.3382377624512,-0.374137967824936,2.59594202041626,416.777069091797,1788.92126464844,1.39882075786591,31.0907783508301,-560.905151367188,2118.89111328125,4.4883828163147,6.48028707504272,69.7966995239258,-47.9766731262207,3077.27563476562,64.6417007446289,3252.53540039062,60.6526908874512,0.0,3.0,0.335999578237534,5.13268947601318,520.059997558594,0.452193558216095,34.9729804992676,6.01171875,0.0358079709112644,3.27662105889352,0.0,2800.99780273438,0.0,4.09600019454956,11.9985179901123,0.0978442281484604,0.5,132.376129150391,0.466978132724762,2.33999991416931,178.153869628906,0.664000391960144,5.0,14.107518196106,2.65470051765442,20.2299995422363,-0.89362221956253,11.9388628005981,0.0,-0.076435424387455,1.51036298274994,1.0,5.27759647369385,0.142857142857143,566.261413574219,4.07032012939453,0.245100021362305,0.0,30.5740985870361,0.276212781667709,5.5995,1.85684418678284,-0.0928479954600334,8.69190216064453,13.8308811187744,-0.105688974261284,12.3619976043701,,94.7104034423828,5.67183017730713,0.0800458118319511,210.898849487305,8.12655830383301,66.6536178588867,0.043412908911705,3.0,283.830993652344,11.0436019897461,0.143053248524666,,22.4758014678955,301.0,3.2610764503479,6.2119197845459,0.42679762840271,4.27517080307007,3.36500000953674,0.0,5.03488159179688,6.0,20.23,1.0,6.01171875,0.16666667163372,261.600921630859,0.0,6.0,0.0,,3.27662110328674,0.25,-205.878219604492,-352.066650390625,13.7354831695557,0.0555555559694767,0.277961194515228,844.736145019531,86.1928,61.4144630432129,2.46805334091187,-30.1138019561768,7.45107460021973,0.0,0.392416596412659,70.4524765014648,0.726434886455536,7.37605953216553,0.0907718539237976,,0.788515388965607,,0.505045056343079,4.25868463516235,0.225426197052002,2.78280520439148,16.7772159576416,1.83735752105713
InChI%3D1S%2FC20H22N4O6S%2Fc1-28-12-17%2825%2921-16-11-14%2831-13-7-5-4-6-8-13%299-10-15%2816%2922-18%2823-19%2826%2929-2%2924-20%2827%2930-3%2Fh4-11H%2C12H2%2C1-3H3%2C%28H%2C21%2C25%29%28H2%2C22%2C23%2C24%2C26%2C27%29,0.287826865911484,1.23961889743805,23.7255001068115,11.0,7.11775493621826,12.0,424.308992385864,0.747297883033752,0.775148987770081,0.0,0.259372144937515,3.19859552383423,43.2145195007324,-0.375667214393616,4.41342639923096,279.318542480469,1969.78576660156,1.31530117988586,39.6578788757324,-901.401794433594,2231.376953125,2.02143454551697,16.1134796142578,54.570484161377,-52.785457611084,2920.15380859375,54.6859321594238,3026.7626953125,55.7047996520996,0.355689316987991,10.0,0.63586813211441,0.904721736907959,1986.10998535156,2.0520396232605,31.9720726013184,15.0089232599643,0.0516138821840286,10.2083333333333,2.85227680206299,2989.29223632812,3.81638789176941,1.67869997024536,11.8500003814697,0.252702087163925,0.5,374.152954101562,0.43866890668869,2.45000004768372,1207.44641113281,0.36413186788559,0.0,30.370267868042,1.81173121929169,163.119995117188,-1.17510688304901,37.3585548400879,2.06597971916199,-0.0688134357333183,0.0833333358168602,1.0,7.44694137573242,0.3125,573.23779296875,5.76913738250732,0.186020374298096,4.0,136.772918701172,0.998324871063232,4.1805,3.04761838912964,-0.830695509910583,9.83304405212402,11.6893901824951,0.51707923412323,15.6165952682495,0.0,124.218597412109,3.29952478408813,-0.346795171499252,487.762176513672,4.86470222473145,387.968627929688,0.371152877807617,10.0,1574.07995605469,6.43344736099243,0.134816780686378,3.0,39.5920143127441,676.0,1.17988204956055,4.5009388923645,0.458094775676727,1.52087438106537,0.966000020503998,0.0,1.69609034061432,12.0,163.12,10.0,15.0089235305786,0.170103460550308,214.259857177734,0.0,19.0,0.381571412086487,1.0,10.2083330154419,0.216506347060204,208.443649291992,-691.447937011719,17.9058933258057,0.0561312772333622,0.116360925137997,2475.48168945312,119.8474,193.842895507812,0.73442941904068,-40.4907073974609,9.6083583831787,1.68707680702209,0.0,92.3774719238281,0.941666305065155,6.78241920471191,0.0902630686759949,3.0,0.0166666675359011,0.0,0.418537557125092,4.42312240600586,0.0887908041477203,2.99299693107605,2.81803369522095,2.0487334728241
InChI%3D1S%2FC10H9Cl4NO2S%2Fc11-9%2812%2910%2813%2C14%2918-15-7%2816%295-3-1-2-4-6%285%298%2815%2917%2Fh1-2%2C5-6%2C9H%2C3-4H2,0.269728600978851,1.70590054988861,11.7811079025269,4.0,4.4615421295166,2.0,339.993993759155,0.852713584899902,1.16393792629242,0.0,0.334810793399811,0.668029844760895,56.8876953125,-0.279619425535202,1.92678606510162,314.997161865234,1708.55078125,1.40796518325806,31.5867538452148,-451.388519287109,2025.01196289062,5.37108373641968,9.18629169464111,73.2724914550781,-46.0157623291016,2885.89379882812,90.4400482177734,2677.8310546875,42.1304550170898,0.0,3.0,0.392546683549881,0.0,478.079986572266,0.562516391277313,34.9720077514648,5.17479191438763,0.0226216930896044,2.65927977839335,0.0,2071.3046875,0.0,2.72370004653931,11.9985313415527,0.147286430001259,0.5,105.55500793457,0.520355045795441,1.67999994754791,151.259521484375,0.607453286647797,4.0,6.08292722702026,2.13230037689209,62.6800003051758,-0.870475947856903,17.6948623657227,0.0,-0.0887386575341225,1.06674861907959,1.0,4.82265472412109,0.157894736842105,442.177795410156,4.03859043121338,0.163548812270164,0.0,25.1238861083984,0.508817732334137,3.4588,1.55934536457062,-0.194331899285316,3.96540641784668,14.4949722290039,-0.0395347066223621,6.99928522109985,0.0,77.7978973388672,5.07260036468506,-0.0138863427564502,203.556549072266,5.97718906402588,48.729133605957,0.00565024605020881,3.0,291.694976806641,8.53145694732666,0.0567034818232059,0.0,11.7305631637573,235.0,5.94472932815552,6.02031230926514,0.534293353557587,5.07513189315796,2.76999998092651,0.0641500279307365,5.51774215698242,7.0,62.68,3.0,5.17479181289673,0.347716152667999,163.342956542969,0.0372678004205227,5.0,0.25,1.0,2.65927982330322,0.615596115589142,-111.440620422363,-234.069198608398,12.8249940872192,0.184332758188248,0.194431900978088,743.08349609375,72.5092,76.3759307861328,2.80946946144104,-23.861644744873,7.62444305419922,0.0,0.454568654298782,57.7463226318359,0.933929324150085,8.20241355895996,0.278502225875854,0.0,1.65731203556061,2.0,0.353316783905029,6.16645097732544,0.188113421201706,3.44831490516663,7.41854190826416,2.69017839431763
InChI%3D1S%2FC7H12ClN5%2Fc1-3-9-6-11-5%288%2912-7%2813-6%2910-4-2%2Fh3-4H2%2C1-2H3%2C%28H2%2C9%2C10%2C11%2C12%2C13%29,0.209966033697128,0.399184584617615,12.1919393539429,3.0,1.5,0.0,189.56499671936,0.917310416698456,0.129548981785774,0.0,0.254358649253845,0.323527216911316,22.5126934051514,-0.263485193252563,3.66959857940674,142.531997680664,735.499816894531,1.2820645570755,16.6135902404785,-201.671508789062,799.251586914062,2.05984783172607,8.19881343841553,23.7368316650391,-20.5683555603027,988.957946777344,20.7315120697021,910.088134765625,23.0715236663818,0.0,2.0,0.709180533885956,0.0,573.059997558594,1.00343430042267,34.9693794250488,5.671875,0.0373791642487049,3.7037037037037,1.51185786724091,729.260864257812,1.42275726795197,0.847299993038177,11.9985513687134,0.082689568400383,0.5,170.34700012207,0.506556928157806,1.57000005245209,241.027542114258,0.290819495916367,1.0,8.97857284545898,0.696923434734344,,-0.411486595869064,20.344898223877,4.0612621307373,-0.0419672690331936,0.0,1.0,3.18605184555054,0.153846153846154,449.578155517578,2.07997059822083,0.300985634326935,2.0,33.9261093139648,0.364419013261795,0.2324,0.610650420188904,-0.3445865213871,0.16666667163372,9.18139171600342,0.368721663951874,1.88988161087036,0.0,48.8867988586426,1.09341299533844,-0.405190736055374,347.572692871094,2.0614230632782,55.8518028259277,0.302039384841919,2.0,491.787872314453,2.38911962509155,0.0265361573547125,0.0,18.3197040557861,151.0,0.36317178606987,5.23425388336182,0.42809584736824,0.55086213350296,1.65799999237061,0.0,0.543477118015289,3.0,69.19,5.0,5.671875,0.0680413842201233,69.855598449707,0.0,7.0,0.0,0.0,3.70370364189148,0.164266422390938,205.04069519043,-98.8401489257812,8.51988410949707,0.0180421955883503,0.185512274503708,693.459350585938,50.1564,40.5265464782715,0.275466829538345,-10.0806474685669,4.72588682174683,0.0,0.0,38.8880615234375,0.867762565612793,2.85856318473816,0.0365953594446182,0.0,0.0,0.0,0.347411751747131,1.61436033248901,0.123441681265831,1.15374362468719,0.717917263507843,0.649015843868256
InChI%3D1S%2FC8H6Cl2O3%2Fc9-5-1-2-7%286%2810%293-5%2913-4-8%2811%2912%2Fh1-3H%2C4H2%2C%28H%2C11%2C12%29,0.285528987646103,0.354987353086472,7.54691886901855,2.0,2.18224716186523,6.0,214.99099445343,0.66031801700592,0.0826339572668076,0.0,0.264634013175964,0.353639185428619,30.7489147186279,-0.333451598882675,2.01474475860596,264.517883300781,686.090454101562,1.36242413520813,18.2318420410156,-332.299987792969,755.617309570312,4.11621952056885,5.17853498458862,27.2418785095215,-47.7742691040039,954.267883300781,27.9520568847656,828.989013671875,25.5642414093018,0.0,3.0,0.34135577082634,3.33033657073975,205.050003051758,0.428827404975891,34.970157623291,5.0242214532872,0.0387856289744377,3.7037037037037,0.0,529.8056640625,0.0,1.09829998016357,11.9985437393188,0.339682012796402,0.5,55.0573806762695,0.54015839099884,1.78999996185303,69.1657104492188,0.658644199371338,2.0,6.25574636459351,1.09929239749908,46.5299987792969,-0.82742029428482,10.2732419967651,0.0,-0.118956968188286,0.117851130664349,1.0,2.70435452461243,0.230769230769231,265.190093994141,2.00735235214233,0.266962558031082,0.0,12.9772510528564,0.430065751075745,1.1221,0.440141081809998,-0.167006641626358,2.33481526374817,9.44884300231934,-0.18852624297142,7.61591911315918,0.0,53.1162986755371,1.64910209178925,0.202839002013206,137.091766357422,2.01554727554321,24.2138385772705,-0.0449024625122547,3.0,172.221221923828,2.54828882217407,0.0468587502837181,1.0,15.5766830444336,155.0,0.649613857269287,3.68154907226562,0.477516800165176,0.807590544223785,1.59200000762939,0.0,0.802930772304535,5.0,49.36,2.0,5.02422142028809,0.0680413842201233,106.232933044434,0.0,7.0,0.5,0.0,3.70370364189148,0.184195280075073,-127.426109313965,-133.454879760742,7.97065448760986,0.0240562614053488,0.265203535556793,504.521209716797,47.6505,136.419570922852,0.476120948791504,-19.1866073608398,4.1460108757019,0.666666686534882,0.0,63.3509521484375,0.803885221481323,3.10079336166382,0.0643754005432129,1.0,0.0385758392512798,1.0,0.344748973846436,1.77554035186768,0.227248057723045,1.1948025226593,1.20626294612885,0.64647251367569
InChI%3D1S%2FC15H12F3NO4S%2Fc1-24%2821%2C22%2912-6-9%2815%2816%2C17%2918%294-5-10%2812%2913%2820%2911-7-19-23-14%2811%298-2-3-8%2Fh4-8H%2C2-3H2%2C1H3,0.436459273099899,1.35009622573853,14.4425649642944,4.0,8.50727558135986,5.0,347.228992462158,0.785367071628571,0.71968138217926,0.0,0.207690522074699,1.11518967151642,38.0917510986328,-0.29720264673233,4.5137414932251,305.336364746094,1635.85473632812,1.5801295042038,37.5815582275391,-602.461120605469,1972.45239257812,2.7982873916626,8.81363296508789,51.6867256164551,-54.7374382019043,2799.35864257812,51.4854469299316,2849.39086914062,57.2038764953613,0.0,5.0,0.525487720966339,0.0,1212.08996582031,1.03684318065643,31.9720726013184,6.622248661511,0.0292745139449835,3.75887573964497,1.12478840351105,2770.7919921875,1.69891178607941,0.523899972438812,11.9974021911621,0.214632958173752,0.5,217.582901000977,0.594259083271027,2.11999988555908,429.314208984375,0.474512249231339,3.0,12.121374130249,3.76160454750061,,-0.936263144016266,29.7903118133545,0.0,-0.085065484046936,1.11541044712067,1.0,6.60681915283203,0.192307692307692,505.363372802734,5.03832149505615,0.312530487775803,0.0,54.6450157165527,0.678459644317627,4.2861,2.29185461997986,-0.226721212267876,3.81499123573303,12.4853191375732,-0.0147260650992393,14.5546579360962,0.0,82.3193969726562,5.66123580932617,-0.0769924074411392,338.137756347656,8.05831909179688,113.452575683594,0.0597031563520432,5.0,667.181762695312,11.2497844696045,0.0772154927253723,1.0,18.8373928070068,404.0,2.23980665206909,3.79495692253113,0.581317782402039,2.90940475463867,1.64499998092651,0.117851130664349,3.58173418045044,4.0,85.62,3.0,6.62224864959717,0.411054402589798,196.476043701172,0.0481125228106976,11.0,0.814325273036957,0.0,4.06559991836548,0.719620048999786,32.8014106750488,-387.668151855469,13.2194185256958,0.226064890623093,0.150472268462181,1269.64294433594,76.5085,138.110748291016,1.40758347511292,-35.2221221923828,8.4912281036377,0.516459047794342,0.0857578963041306,73.5748291015625,0.666986346244812,7.33503913879395,0.322794586420059,0.0,0.303021281957626,3.0,0.404552727937698,4.6666431427002,0.210989639163017,3.34725308418274,0.27447122335434,2.25339484214783
InChI%3D1S%2FC16H12ClF4N3O4%2Fc1-2-22%288-10-11%2817%294-3-5-12%2810%2918%2915-13%2823%2825%2926%296-9%2816%2819%2C20%2921%297-14%2815%2924%2827%2928%2Fh3-7H%2C2%2C8H2%2C1H3,,1.12224113941193,13.442681312561,5.0,7.14635419845581,10.0,409.637989044189,0.963416874408722,0.560302436351776,0.0,0.146509006619453,2.22534203529358,45.8987693786621,,4.11048030853271,353.682098388672,1592.0673828125,1.28141307830811,36.3236694335938,-641.628234863281,1893.42724609375,0.0,7.10685873031616,58.5253219604492,-46.6013221740723,2698.53637695312,63.7974739074707,3003.16674804688,70.0388031005859,0.0,7.0,0.376483201980591,0.0,925.119995117188,0.682992577552795,,9.87128177393186,0.0193027090281248,5.79561042524005,1.71464776992798,2861.79443359375,1.61451458930969,2.60640001296997,,0.0365831479430199,0.454545468091965,121.136627197266,0.448971837759018,1.89999997615814,219.758575439453,0.623516798019409,5.0,6.21080875396729,3.33446025848389,71.5199966430664,-1.13114559650421,22.8424835205078,0.0,-0.0821548700332642,1.04390573501587,0.833333313465118,7.38552904129028,0.241379310344828,546.486145019531,6.35984659194946,0.305778294801712,0.0,54.1750183105469,0.557290196418762,6.3872,2.59478664398193,-0.233581453561783,5.49318552017212,,0.0411930680274963,15.3983068466187,0.0,36.2949981689453,6.07639122009277,-0.0091674504801631,213.555389404297,8.34957599639893,132.625732421875,0.101698078215122,7.0,387.419006347656,12.7470693588257,0.165543019771576,0.0,10.9492206573486,490.0,1.81182384490967,,0.424055576324463,2.28189277648926,6.03599977493286,0.0,2.79999351501465,4.0,94.88,1.0,9.87128162384033,0.12359693646431,200.62174987793,0.0,13.0,1.44224953651428,0.0,5.79561042785645,0.308198094367981,-140.126708984375,-363.955596923828,14.921350479126,0.0448895953595638,0.146884515881538,1029.04724121094,97.222,20.7513313293457,0.895420014858246,-26.4340171813965,8.06582641601562,0.0,0.0134987309575081,57.5505409240723,0.657755076885223,5.99667167663574,0.0917475074529648,0.0,0.191200897097588,4.0,0.408385723829269,4.25312232971191,0.229747280478477,2.81618618965149,6.79332113265991,1.95818734169006
InChI%3D1S%2FC10H12O%2Fc1-3-4-9-5-7-10%2811-2%298-6-9%2Fh3-8H%2C1-2H3,0.0756688937544823,0.243633925914764,11.6619386672974,1.0,0.333333343267441,7.0,136.108996391296,0.958189606666565,0.118634916841984,0.0,0.399523437023163,0.138001933693886,11.7744693756104,-0.377474039793015,1.42433345317841,120.618026733398,557.022033691406,1.12808215618134,11.6641836166382,-88.4726028442383,593.067016601562,8.25757312774658,10.0996026992798,13.6641836166382,-11.0827856063843,706.748291015625,12.6641836166382,609.726684570312,8.33209228515625,0.0,2.0,0.709701955318451,0.635061621665955,419.010009765625,0.520562171936035,15.9979438781738,4.79289940828402,0.0340898372232914,2.84444444444444,3.32753610610962,369.006317138672,1.09204828739166,1.61650002002716,11.9962491989136,0.041810404509306,0.5,122.521499633789,0.537137508392334,2.45000004768372,89.8687896728516,0.290298014879227,0.0,5.88520002365112,0.40824830532074,9.22999954223633,-0.212931871414185,15.0344839096069,0.0,-0.0266735479235649,0.0,1.0,2.33665585517883,0.181818181818182,398.125122070312,1.69104409217834,0.12213522195816,0.0,15.9755277633667,0.151841133832932,2.7283,0.554737865924835,-0.0862094461917877,6.67872285842896,8.75016307830811,0.00200196006335318,7.00378656387329,0.0,52.4303016662598,0.925812005996704,0.0071904007345438,294.879211425781,1.17459428310394,29.622652053833,-0.000763180374633521,2.0,216.292144775391,1.19574868679047,0.0118335327133536,1.0,14.164234161377,125.0,0.313275456428528,4.72514009475708,0.417052775621414,0.347867757081985,2.64599990844727,0.0,0.290380626916885,3.0,9.23,0.0,4.79289960861206,0.0833333358168602,50.1164588928223,0.0,9.0,0.0,0.0,2.84444451332092,0.117851130664349,174.261184692383,-36.760124206543,6.87234973907471,0.0277777779847383,0.475335121154785,304.764739990234,47.702,17.372106552124,0.164266422390938,-4.60486698150635,3.63309836387634,0.0,0.0,25.2470207214355,0.852358758449554,2.27315974235535,0.027377737686038,0.0,0.0,0.0,0.173891872167587,1.47491872310638,0.102505601942539,0.907471597194672,2.61307215690613,0.535497665405273
InChI%3D1S%2FC24H38O4%2Fc1-5-9-13-19%287-3%2917-27-23%2825%2921-15-11-12-16-22%2821%2924%2826%2928-18-20%288-4%2914-10-6-2%2Fh11-12%2C15-16%2C19-20H%2C5-10%2C13-14%2C17-18H2%2C1-4H3,0.295188248157501,1.06930863857269,29.753978729248,4.0,5.00828838348389,4.0,352.259990692139,0.929423570632935,0.457961708307266,0.0,0.320478707551956,1.59775233268738,31.0978755950928,-0.312484472990036,5.52421092987061,140.908645629883,1593.48608398438,1.31491219997406,29.9925518035889,-292.159973144531,1729.32397460938,0.513401627540588,22.6320171356201,37.5414886474609,-19.5203895568848,2116.28857421875,42.6492881774902,2239.41625976562,43.9776573181152,0.200000002980232,16.0,0.823594093322754,0.133787423372269,3600.0400390625,1.70763981342316,15.9979391098022,15.7889273356401,0.027457082644105,10.0535395597858,8.30852031707764,2128.32373046875,3.53208184242249,-0.770600020885468,11.8900003433228,0.0705764144659042,0.470588237047195,525.487182617188,0.549456655979156,3.66000008583069,1089.54516601562,0.176405936479568,0.0,17.5187587738037,1.15181839466095,52.5999984741211,-0.365760058164597,47.289867401123,0.0,-0.0244379080832005,0.248005643486977,0.888888895511627,6.11735105514526,0.571428571428571,742.400329589844,4.73459577560425,0.185662925243378,0.0,170.010711669922,0.544975399971008,6.43300000000001,1.70861983299255,-0.3643958568573,16.3074645996094,9.83025169372559,0.196051120758057,19.6782150268555,0.0,106.09700012207,2.93108129501343,-0.035453774034977,657.866333007812,4.20715475082397,399.522155761719,-0.322182655334473,16.0,1364.02001953125,5.50676584243774,0.0536987781524658,2.0,21.9320316314697,690.0,1.36898148059845,5.07698106765747,0.33144548535347,1.51242673397064,7.65399980545044,0.0,1.42923772335052,11.0,52.6,4.0,15.7889270782471,0.0833333358168602,112.554313659668,0.0,12.0,0.200000002980232,0.0,10.053539276123,0.096225045621395,516.957702636719,-233.370101928711,18.1681632995605,0.0277777779847383,0.150228843092918,1656.18005371094,113.619,56.3746757507324,0.635919213294983,-15.592399597168,10.9991140365601,1.26491105556488,0.0,41.4524230957031,0.94630342721939,7.57551145553589,0.0277777779847383,0.0,0.0448895953595638,2.0,0.434010058641434,5.35370397567749,0.141805157065392,3.17791032791138,0.59382438659668,2.07339024543762
InChI%3D1S%2FC15H11BrClF3N2O%2Fc1-2-23-8-22-13%289-3-5-10%2817%296-4-9%2911%287-21%2912%2816%2914%2822%2915%2818%2C19%2920%2Fh3-6H%2C2%2C8H2%2C1H3,0.426041543483734,1.59174394607544,11.6584033966064,2.0,6.45510816574097,5.0,396.528990745544,0.899410784244537,0.961963832378387,0.0,0.116031795740128,1.82267308235168,79.9714202880859,-0.366027414798737,4.14593553543091,344.965484619141,1613.55224609375,1.34248542785645,34.6786918640137,-661.229858398438,1932.22741699219,0.0,5.68979549407959,58.1767959594727,-52.6464881896973,2821.77661132812,71.5603637695312,2941.099609375,98.3399963378906,0.0,5.0,0.445308655500412,0.0,1015.08001708984,0.853567600250244,78.9183349609375,7.92,0.0231843125075102,4.15879017013232,1.43458831310272,2770.91625976562,0.993219435214996,3.51950001716614,11.9974021911621,0.100589208304882,0.5,172.230331420898,0.408896803855896,2.23000001907349,330.131103515625,0.55469137430191,5.0,8.96690845489502,2.49331903457642,,-1.063232421875,26.2731056213379,0.0,-0.0846535488963127,0.608359217643738,1.0,6.82029151916504,0.208333333333333,559.348327636719,5.29377841949463,0.355617761611938,0.0,41.516845703125,0.698850095272064,5.45548,2.57373046875,-0.356642156839371,5.82961845397949,12.0611057281494,0.0519969090819359,14.4412622451782,0.0,88.2409973144531,4.20538949966431,0.0612847097218037,276.939788818359,7.96086883544922,96.171241760254,-0.257325053215027,5.0,530.838195800781,11.6233434677124,0.156339839100838,1.0,14.4184465408325,355.0,2.60053944587708,4.25599956512451,0.402203470468521,4.22801399230957,3.32200002670288,0.0641500279307365,5.40672016143799,4.0,37.95,3.0,7.92000007629395,0.30731725692749,214.535873413086,0.0496903993189335,6.0,0.0,0.0,4.15879011154175,0.665651738643646,-68.0256881713867,-411.222351074219,14.5674390792847,0.235039800405502,0.190919011831284,1192.06811523438,83.921,62.5569648742676,1.16459262371063,-32.7411308288574,8.29586887359619,0.0,0.0155869917944074,67.0649337768555,0.734151124954224,6.71203279495239,0.4352146089077,0.0,0.332788020372391,0.0,0.531385064125061,5.16219615936279,0.211624026298523,3.99592351913452,12.3868799209595,2.63785648345947
InChI%3D1S%2FC2H3Cl3O2%2Fc3-2%284%2C5%291%286%297%2Fh1%2C6-7H,0.343333184719086,0.0,3.37932944297791,2.0,0.0,0.0,162.378995895386,0.638583838939667,0.0,0.0,0.127991646528244,0.680188238620758,31.687198638916,-0.36408331990242,0.99599677324295,219.428909301758,353.738128662109,1.47605288028717,12.5193958282471,-232.404937744141,365.384185791016,9.80192089080811,1.7031444311142,39.4321250915527,-36.63818359375,425.074951171875,23.5919132232666,205.307388305664,0.0,0.0,1.0,0.266744375228882,0.0,39.0499992370605,0.282518416643143,34.9710578918457,1.85185185185185,0.0490681864321232,2.66666666666667,0.0,0.0,0.0,0.89980000257492,11.998706817627,0.361416131258011,0.333333343267441,23.887580871582,0.605290174484253,1.12999999523163,25.3001823425293,0.733255624771118,3.0,4.39417028427124,1.65470051765442,40.4599990844727,-0.776617050170898,4.53962087631226,0.0,-0.12243214994669,0.866025388240814,0.5,0.0,0.166666666666667,191.098114013672,0.0,0.294732093811035,0.0,3.53225040435791,0.341715097427368,1.5911,0.0,-0.120417557656765,0.0,10.2115564346313,-0.170003339648247,0.0,0.0,29.2457008361816,2.5980761051178,0.119563356041908,79.8240432739258,0.577350258827209,8.06540107727051,0.0,1.0,84.5444717407227,0.0,0.201279059052467,0.0,14.6837997436523,29.0,1.19230616092682,5.02549982070923,0.490236908197403,0.376418590545654,0.801999986171722,0.0,0.0,7.0,40.46,2.0,1.85185182094574,0.0,65.6647491455078,0.0,0.0,0.5,0.0,2.66666674613953,0.0,-139.604873657227,-69.5478668212891,5.37345790863037,0.0,0.342811048030853,316.949401855469,27.4046,108.154846191406,1.90012776851654,-10.9640846252441,2.5059130191803,0.0,0.420848786830902,51.3219833374023,0.691291034221649,3.28422093391418,0.0,2.0,0.222692251205444,0.0,0.380525767803192,0.878310084342957,0.298995167016983,0.0,0.809640049934387,0.0
InChI%3D1S%2FC14H16ClN5O5S%2Fc1-9-16-12%2819-14%2817-9%2924-2%2918-13%2821%2920-26%2822%2C23%2911-6-4-3-5-10%2811%2925-8-7-15%2Fh3-6H%2C7-8H2%2C1-2H3%2C%28H2%2C16%2C17%2C18%2C19%2C20%2C21%29,0.288612395524979,0.910924196243286,17.4556312561035,9.0,4.09288930892944,6.0,385.703993797302,0.770487189292908,0.483398526906967,0.0,0.235000133514404,1.5225887298584,45.5127906799316,-0.352581053972244,4.64506435394287,289.546936035156,1770.25183105469,1.47466480731964,41.0039138793945,-825.15478515625,2013.91296386719,2.54599690437317,11.2879772186279,52.375301361084,-57.4103775024414,2744.28588867188,57.1450538635254,2763.7626953125,58.1687660217285,0.100000001490116,7.0,0.594917774200439,0.22382640838623,1559.11999511719,1.69540476799011,34.9693794250488,10.518626734843,0.0558511056005955,6.84297520661157,1.09624147415161,2654.77221679688,2.71335864067078,0.092399999499321,11.9985179901123,0.229512840509415,0.5,303.954528808594,0.583489537239075,1.67999994754791,866.213745117188,0.405082195997238,1.0,28.5353660583496,2.3205931186676,,-1.1544086933136,37.2121391296387,3.63872194290161,-0.080318309366703,0.343443363904953,1.0,7.1740927696228,0.259259259259259,550.733154296875,5.00403213500977,0.266106933355331,2.0,76.6928558349609,0.883558392524719,2.0237,2.00412178039551,-0.67130446434021,5.75777912139893,12.0297594070435,0.523445844650269,7.11354064941406,0.0,96.6485977172852,3.77863430976868,-0.682976067066193,425.238708496094,6.91750574111938,173.982971191406,0.774102389812469,7.0,1211.85107421875,8.6490707397461,0.0872262194752693,2.0,39.9215698242188,571.0,1.30600559711456,4.86064481735229,0.511266827583313,1.75068759918213,1.52100002765656,0.0,1.84213149547577,7.0,147.5,9.0,10.518627166748,0.151374712586403,206.964004516602,0.0,17.0,0.94494080543518,0.0,6.84297513961792,0.264858663082123,135.691772460938,-589.808837890625,15.3539524078369,0.0486111119389534,0.123650789260864,2037.005859375,93.1855,164.052490234375,0.78316992521286,-41.0361137390137,8.92169284820557,1.04004192352295,0.0323152802884579,97.3319473266602,0.901038706302643,6.36542463302612,0.07408207654953,1.0,0.0960598140954971,2.0,0.379908531904221,4.01658630371094,0.101201929152012,2.71217250823975,0.00853776000440121,1.7058641910553
InChI%3D1S%2FC19H22FN3O%2Fc20-17-8-6-16%287-9-17%2918%2824%294-3-11-22-12-14-23%2815-13-22%2919-5-1-2-10-21-19%2Fh1-2%2C5-10H%2C3-4%2C11-15H2,0.162825703620911,1.14152884483337,18.9634475708008,3.0,1.28489828109741,9.0,305.226992607117,0.851817190647125,0.729446649551392,0.0,0.271027058362961,1.06424701213837,27.3564777374268,-0.30075791478157,4.72524166107178,210.235198974609,1432.98376464844,1.47279965877533,28.2433586120605,-338.636505126953,1618.84606933594,0.329721748828888,13.1739597320557,37.5172233581543,-29.2903995513916,2092.19262695312,36.5169448852539,2001.04028320312,28.5751724243164,0.0,6.0,0.691882729530334,1.97476267814636,1752.05004882812,1.1144505739212,18.9984073638916,9.62975778546713,0.0390784814953804,5.76190476190476,0.0,1573.30212402344,0.0,-0.0520000010728836,11.8500003814697,0.148182794451714,0.5,322.115203857422,0.548078954219818,3.0,518.847290039062,0.308117270469666,1.0,18.1935081481934,1.22850155830383,,-0.496300131082535,31.4915542602539,0.0,-0.0429275333881378,0.201184466481209,1.0,6.37298536300659,0.230769230769231,581.213623046875,5.10615491867065,0.249176293611526,0.0,81.29931640625,0.433755367994308,3.2229,2.10308742523193,-0.216624513268471,21.8486289978027,9.46218776702881,-0.0241902191191912,13.3651676177979,0.0,97.663200378418,2.80429005622864,0.0597036592662334,472.086791992188,3.71874499320984,166.512298583984,-0.114233329892159,6.0,760.414123535156,4.52124500274658,0.0561209619045258,0.0,26.6641082763672,638.0,1.15266513824463,4.00921106338501,0.501541078090668,1.40609633922577,0.96100002527237,0.0,1.45897471904755,5.0,37.64,4.0,9.62975788116455,0.268728733062744,143.448104858398,0.0,8.0,0.0,0.0,5.7619047164917,0.297409504652023,261.851593017578,-231.059127807617,13.696403503418,0.102622978389263,0.186584338545799,1099.05065917969,88.3976,101.108383178711,0.546148478984833,-19.9854850769043,8.39325332641602,0.0,0.0,55.9545097351074,0.789559662342072,6.05024814605713,0.0958543494343758,0.0,0.0529237762093544,1.0,0.423179656267166,4.38994264602661,0.10095376521349,2.9847207069397,0.00270400010049343,2.08001637458801
InChI%3D1S%2FC10H14NO5PS%2Fc1-3-14-17%2818%2C15-4-2%2916-10-7-5-9%286-8-10%2911%2812%2913%2Fh5-8H%2C3-4H2%2C1-2H3,,0.787162601947784,14.9082880020142,6.0,0.333333343267441,6.0,277.152997016907,0.945240080356598,0.433078467845917,1.0,0.316607266664505,0.504178106784821,34.0105018615723,,3.14125061035156,180.360046386719,819.64208984375,1.1230651140213,33.4600944519043,-241.426300048828,910.014831542969,1.96215760707855,11.2628593444824,41.8285140991211,-21.7265586853027,1175.302734375,39.6421890258789,1146.54284667969,37.3202018737793,1.5,7.0,0.66170209646225,0.286105901002884,718.080017089844,0.88574093580246,,7.55555555555556,0.0283767823129892,5.26748971193416,2.63999533653259,1010.36560058594,0.63245552778244,1.4592000246048,,0.0547599084675312,0.5,188.080825805664,0.505349338054657,1.67999994754791,251.761169433594,0.338297933340073,0.0,8.06575775146484,1.63090085983276,103.730003356934,-0.452838718891144,28.6488971710205,0.0,-0.0407520942389965,0.16666667163372,1.0,4.29217720031738,0.388888888888889,503.945007324219,2.67718195915222,0.210704997181892,0.0,42.6417007446289,0.454891264438629,4.4449,1.07488453388214,-0.347947120666504,4.34811925888062,,0.308358460664749,5.46568870544434,1.0,41.8664016723633,2.77902126312256,-0.193633466959,352.779632568359,4.1072244644165,75.3875350952148,-0.044901080429554,7.0,472.2236328125,4.10325860977173,0.0338186472654343,3.0,15.1287889480591,274.0,1.58301293849945,,0.45497328042984,2.44412589073181,4.32600021362305,0.0,1.97632420063019,9.0,115.41,2.0,7.55555534362793,0.0833333358168602,96.1571044921875,0.0,14.0,0.5,0.0,5.26748991012573,0.107038088142872,172.419586181641,-128.713943481445,11.7784557342529,0.0277777779847383,0.230430543422699,713.649963378906,73.655,29.1946811676025,1.09271574020386,-11.583291053772,7.89214563369751,0.825481832027435,0.111803397536278,36.8553504943848,0.88973879814148,6.06010055541992,0.0237628296017647,0.0,0.0124225998297334,2.0,0.162742510437965,4.27851963043213,0.22258223593235,3.24698185920715,2.12926459312439,1.36853063106537
InChI%3D1S%2FC17H14ClF7O2%2Fc1-6-11%2819%2913%2821%297%2814%2822%2912%286%2920%295-27-15%2826%2910-8%2816%2810%2C2%293%294-9%2818%2917%2823%2C24%2925%2Fh4%2C8%2C10H%2C5H2%2C1-3H3,0.432584583759308,0.955172955989838,16.6683883666992,2.0,13.4611682891846,6.0,404.623987197876,0.759370148181915,0.407919257879257,0.0,0.300679087638855,1.17319190502167,46.7760009765625,-0.310498237609863,3.25661945343018,302.020751953125,1342.4404296875,1.33105564117432,35.0205078125,-672.097534179688,1614.43933105469,0.877842545509338,12.2385768890381,58.5799865722656,-53.0086936950684,2160.51586914062,72.014289855957,2147.04028320312,56.5101928710938,0.0,6.0,0.51042377948761,0.0,1062.09997558594,1.13586413860321,34.9688529968262,8.02469135802469,0.0276867356151342,4.30221200804367,1.26753270626068,1825.26159667969,6.60259008407593,3.78710007667542,11.9973917007446,0.240629851818085,0.461538463830948,194.25129699707,0.502910375595093,2.23000001907349,432.274291992188,0.489576190710068,8.0,10.5367040634155,4.02894496917725,26.2999992370605,-1.08947122097015,27.0198974609375,0.0,-0.0859271883964539,1.49606931209564,0.857142865657806,6.66667222976685,0.214285714285714,468.457305908203,4.7119140625,0.195376977324486,0.0,58.035228729248,0.867011725902557,5.5518,1.83006012439728,-0.373398035764694,0.200000002980232,10.0097398757935,0.00934505928307772,6.09323167800903,0.0,88.0281982421875,8.00644397735596,-0.103439927101135,314.881713867188,9.74153327941895,121.46280670166,0.0371392406523228,6.0,700.717407226562,12.9002256393433,0.0703842416405678,1.0,17.0800151824951,566.0,2.95671677589417,3.81365442276001,0.379005551338196,2.85223865509033,4.20900011062622,0.496193736791611,3.14197707176208,7.0,26.3,2.0,8.02469158172607,0.94334763288498,186.317352294922,0.407229274511337,6.0,0.0,0.0,4.6094183921814,1.37877488136292,12.860936164856,-414.618621826172,15.0352993011475,0.510164797306061,0.139476701617241,1372.81494140625,81.559,148.445159912109,1.83852887153625,-32.7011947631836,8.0116662979126,0.5,0.180165395140648,70.0887069702148,0.741801738739014,7.21157789230347,0.567346453666687,0.0,0.362099081277847,1.0,0.449139684438705,4.86746454238892,0.194359228014946,2.70314836502075,14.3421268463135,1.76588320732117
InChI%3D1S%2FC14H12FNO3%2Fc1-7-2-3-8-4-9%2815%295-10-12%288%2916%287%296-11%2813%2810%2917%2914%2818%2919%2Fh4-7H%2C2-3H2%2C1H3%2C%28H%2C18%2C19%29,0.290326505899429,1.54974961280823,10.1061573028564,2.0,11.302638053894,5.0,249.155993461609,0.620546340942383,0.96431452035904,0.0,0.123128153383732,0.754815101623535,23.1854400634766,-0.350564539432526,4.323486328125,188.863983154297,1298.21545410156,1.36120164394379,23.0766162872314,-289.793853759766,1596.94848632812,5.10576200485229,5.02785587310791,36.0973320007324,-40.3439102172852,2410.76220703125,40.6512336730957,2585.56689453125,39.4492454528809,0.0,1.0,0.594010770320892,0.432856410741806,883.049987792969,0.911453187465668,18.9984073638916,5.080078125,0.0357947573065758,2.27555555555556,1.47342324256897,2085.69165039062,2.21649074554443,-0.372999995946884,11.9961957931519,0.379453629255295,0.428571432828903,128.547500610352,0.483272552490234,2.45000004768372,197.243927001953,0.405989199876785,1.0,7.74619960784912,1.73618686199188,,-0.622951924800873,20.4038982391357,0.0,-0.0867248103022575,0.53572005033493,0.75,6.46965074539185,0.0476190476190476,288.6748046875,5.68020391464233,0.427807152271271,0.0,28.7964019775391,0.480063945055008,1.0113,3.12058901786804,-0.136390775442123,3.41702961921692,10.7771081924438,-0.0201221220195293,15.299859046936,0.0,68.841796875,4.05813121795654,-0.324326545000076,276.330596923828,6.79073429107666,55.3106307983398,0.262444376945496,1.0,424.003082275391,10.9176359176636,0.0746886357665062,0.0,16.6515274047852,240.0,1.73547291755676,4.42281818389893,0.565561592578888,2.52521157264709,1.21099996566772,0.0,3.61139154434204,2.0,62.13,4.0,5.080078125,0.156472027301788,87.8584976196289,0.0,9.0,0.94494080543518,0.0,2.27555561065674,0.481190651655197,87.4666213989258,-134.810531616211,10.5196094512939,0.0759299695491791,0.215743079781532,713.796936035156,66.215,176.519775390625,0.780680179595947,-18.7677688598633,6.34832191467285,0.0,0.0,56.9954376220703,0.623101592063904,5.25621271133423,0.190698266029358,1.0,0.18280827999115,2.0,0.31236743927002,4.06366586685181,0.176460385322571,3.04266119003296,0.139128997921944,2.40812182426453
InChI%3D1S%2FC13H15N3O3%2Fc1-7%282%2913%283%2912%2819%2915-10%2816-13%299-8%2811%2817%2918%295-4-6-14-9%2Fh4-7H%2C1-3H3%2C%28H%2C17%2C18%29%28H%2C15%2C16%2C19%29,0.363656044006348,0.590678095817566,12.399863243103,5.0,5.9572377204895,3.0,246.160994529724,0.718346834182739,0.330229431390762,0.0,0.263716101646423,1.13997399806976,22.4033718109131,-0.330944091081619,2.7665433883667,190.521865844727,1185.62878417969,1.29299008846283,21.99338722229,-348.504974365234,1404.53869628906,5.24872779846191,8.49334526062012,34.1798667907715,-38.4441833496094,2047.37646484375,36.9275665283203,1982.95483398438,32.0934295654297,0.0,3.0,0.622792482376099,0.755241453647614,883.059997558594,1.13921976089478,16.0061454772949,5.78,0.0368954874575138,2.88,1.29161906242371,1575.23657226562,5.03355169296265,-0.606299996376038,11.9885129928589,0.281653165817261,0.5,158.881134033203,0.579672574996948,2.23000001907349,290.627380371094,0.377207517623901,0.0,9.4124402999878,1.95773088932037,,-0.689992725849152,21.6141052246094,1.14471423625946,-0.0761142820119858,1.09384369850159,1.0,5.30495119094849,0.15,362.826232910156,3.89153861999512,0.223110795021057,1.0,36.3331909179688,0.539413750171661,-0.499399999999999,1.77448058128357,-0.28415858745575,2.38110160827637,10.6894779205322,0.011766810901463,5.42803478240967,0.0,69.1834030151367,5.18725872039795,0.0456334538757801,314.563171386719,6.9371132850647,75.5192642211914,-0.185609415173531,3.0,575.40283203125,8.52343082427979,0.0919344052672386,0.0,18.6353588104248,251.0,2.35481786727905,4.41109037399292,0.426661133766174,2.13377785682678,0.982999980449677,0.0833333358168602,1.98741912841797,3.0,94.48,6.0,5.78000020980835,0.346225053071976,96.2297439575195,0.0279508493840694,14.0,0.650697648525238,0.0,2.88000011444092,0.557809770107269,124.041282653809,-176.024658203125,10.9675388336182,0.0909911692142487,0.179108411073685,923.907836914062,61.8141,142.2587890625,1.04977834224701,-19.4175815582275,5.95959186553955,0.0,0.0721687823534012,57.0795402526855,0.845071732997894,4.95233535766602,0.128915131092072,1.0,0.465007752180099,2.0,0.286656320095062,3.45281791687012,0.160100445151329,1.81507468223572,0.367599695920944,1.07149112224579
InChI%3D1S%2FC9H7N3S%2Fc1-6-3-2-4-7-8%286%2912-5-10-11-9%2812%2913-7%2Fh2-5H%2C1H3,,0.989389538764954,8.05389881134033,2.0,3.53277564048767,5.0,182.18699836731,0.98515510559082,0.54214209318161,0.0,0.223659232258797,0.196894854307175,20.2077178955078,,2.7705991268158,154.078231811523,1058.34155273438,1.29449212551117,19.5304851531982,-134.073623657227,1292.60656738281,1.28590226173401,5.08640432357788,30.9512157440186,-15.1269693374634,1908.05334472656,27.1199321746826,1534.40808105469,18.1704959869385,0.0,0.0,0.580216526985168,1.3764556646347,420.040008544922,0.504884660243988,,3.0,0.038113959133625,1.171875,1.27788615226746,976.58837890625,1.80720400810242,-0.402099996805191,,0.0148448869585991,0.5,78.1667556762695,0.512649595737457,2.00999999046326,68.0180435180664,0.419783443212509,0.0,5.13471126556396,0.816229462623596,,-0.365281224250793,14.7588634490967,1.0,-0.0412131622433662,0.247525274753571,1.0,4.85184049606323,0.0,361.593475341797,3.55030250549316,0.344007223844528,1.0,15.6393918991089,0.145797193050385,2.2524,1.70147168636322,-0.120427832007408,2.57512259483337,,0.0696611776947975,6.87156677246094,0.0,32.0351982116699,2.20885157585144,-0.0235239528119564,212.963958740234,4.15471124649048,26.4680099487305,0.00887194089591503,0.0,185.31396484375,5.49978685379028,0.0244471468031406,0.0,13.9894304275513,134.0,1.27638912200928,,0.493058532476425,2.11804819107056,-0.5,0.196418553590775,2.40331554412842,0.0,58.43,3.0,3.0,0.431443691253662,56.5532112121582,0.0942852050065994,11.0,0.0,0.0,1.171875,0.739593327045441,58.8857192993164,-49.2106742858887,7.87578678131104,0.21249720454216,0.236001685261726,319.387603759766,53.107,5.44869995117188,0.564040184020996,-5.55223608016968,4.85597991943359,0.0,0.0,29.1163997650146,0.855962336063385,4.0163311958313,0.33001434803009,0.0,0.123296104371548,0.0,0.28878390789032,3.16962599754333,0.192812129855156,2.59290361404419,0.161684408783913,1.63940167427063
InChI%3D1S%2FC2H7O3P%2Fc1-4-6%283%295-2%2Fh6H%2C1-2H3,0.304945141077042,0.0,,4.0,0.0,0.0,102.992999076843,,0.0,0.0,,,13.9738206863403,-0.342266112565994,,,67.4340057373047,,12.9699382781982,,58.8526954650879,,,10.481086730957,,53.4732856750488,5.32836771011353,38.9932022094727,1.0,0.5,2.0,,,114.040000915527,,30.973762512207,3.2,,3.0,0.0,12.0569543838501,0.0,0.24609999358654,11.9966878890991,,0.5,,,1.24000000953674,,,0.0,,0.288675129413605,59.0,,19.9224491119385,0.0,,0.0,1.0,0.288675129413605,0.4,,0.0,,0.0,,0.465965896844864,0.9366,0.0,-0.445845037698746,0.0,3.81951498985291,0.371464520692825,0.0,0.0,15.5367002487183,0.577350258827209,-0.193221598863602,,0.288675129413605,,0.0346191860735416,2.0,,0.0,,2.0,,29.0,0.20412415266037,2.13974642753601,,0.102062076330185,-0.741999983787537,0.0,0.0,6.0,69.67,3.0,3.20000004768372,0.0,,0.0,4.0,0.0,0.0,3.0,0.0,,,4.72474479675293,0.0,,,21.6245,,0.102062076330185,,2.65361380577087,1.0,0.0,,,1.97474491596222,0.0,0.0,0.0,1.0,,1.0,,0.25,0.060565210878849,0.0
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%2C1H3,0.30301359295845,0.945567429065704,12.5548868179321,3.0,2.78208088874817,10.0,311.078991889954,0.861921072006226,0.489224970340729,0.0,0.131762906908989,1.83952724933624,38.7489128112793,-0.371003687381744,4.32470607757568,290.854125976562,1450.49975585938,1.37396728992462,27.2318420410156,-468.561370849609,1688.53015136719,3.96062254905701,6.39065361022949,41.5739707946777,-37.6490516662598,2362.88891601562,47.3447151184082,2526.18823242188,41.5527610778809,0.0,5.0,0.533510327339172,2.43649053573608,876.049987792969,0.859476625919342,34.969856262207,7.51300728407908,0.0391720421612263,3.85484830458061,1.70922160148621,2229.13525390625,0.91774445772171,2.66939997673035,11.8500003814697,0.138078927993774,0.5,207.40022277832,0.444524973630905,2.67000007629395,334.118438720703,0.466489672660828,2.0,15.227991104126,1.66637456417084,46.5299987792969,-0.75150740146637,19.0188980102539,0.0,-0.0603838600218296,0.733301997184753,1.0,5.64626455307007,0.227272727272727,537.403747558594,4.34582042694092,0.34446394443512,0.0,47.3488922119141,0.428665369749069,3.7924,1.83991479873657,-0.195726826786995,9.9319200515747,11.7646942138672,-0.0870365798473358,15.5791988372803,0.0,90.053596496582,4.3791937828064,0.123690098524094,332.641174316406,6.63413238525391,110.744079589844,0.0194542463868856,5.0,535.879638671875,9.03979682922363,0.14651882648468,1.0,24.4235858917236,320.0,1.5047060251236,5.05576229095459,0.494079977273941,1.81020605564117,1.82099997997284,0.0,2.07993912696838,7.0,46.53,3.0,7.51300716400146,0.16666667163372,181.34619140625,0.0,6.0,0.333333343267441,0.0,3.85484838485718,0.25,41.7870597839355,-292.145812988281,12.8574056625366,0.0555555559694767,0.230252236127853,1004.44104003906,82.5358,86.091567993164,0.816502928733826,-23.4740085601807,7.1542649269104,0.81649661064148,0.0279508493840694,62.072639465332,0.655399203300476,5.31753778457642,0.0907718539237976,1.0,0.145252838730812,1.0,0.435362339019775,3.59878826141357,0.188046604394913,2.27206492424011,7.12569618225098,1.59427058696747
InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H,0.0926062166690826,0.345625728368759,9.5094861984253,1.0,2.38110160827637,10.0,160.130995750427,0.852655410766602,0.18893301486969,,0.298433035612106,1.0589017868042,13.7744693756104,-0.359803706407547,1.49682927131653,155.194702148438,761.106994628906,1.10700452327728,14.3320922851562,-135.362182617188,861.534057617188,10.4665689468384,6.95375537872314,18.6641845703125,-16.4558715820312,1113.91076660156,17.9962768554688,1015.08331298828,13.9962759017944,0.0,1.0,0.634488046169281,9.28660869598389,420.010009765625,0.553406059741974,15.9949178695679,4.48148148148148,0.0535508915781975,2.26843100189036,0.0,706.953125,0.0,1.85249996185303,11.8500003814697,0.147344574332237,0.428571432828903,114.386322021484,0.547459423542023,2.67000007629395,99.7687530517578,0.365511953830719,0.0,9.65422344207764,0.538451671600342,20.2299995422363,-0.318802714347839,10.9320697784424,0.0,-0.0387565940618515,0.164266422390938,0.75,3.60758376121521,0.0714285714285714,362.033599853516,2.79330086708069,0.15740379691124,,19.3569240570068,0.0548681356012821,3.0592,0.885919213294983,-0.0177934914827347,12.4071960449219,9.63482570648193,-0.00858548190444708,11.3998241424561,,61.0769004821777,1.44017744064331,-0.00100874260533601,269.400726318359,2.34362530708313,39.8880805969238,-4.63296273665037e-05,1.0,234.973678588867,3.05891346931458,0.111352153122425,,22.7374649047852,151.0,0.491756230592728,5.38322877883911,0.284387916326523,0.650328814983368,2.57100009918213,0.0,0.685604989528656,0.0,20.23,0.0,4.48148155212402,0.185395404696465,65.8949584960938,0.0,13.0,0.0,,2.26843094825745,0.190371423959732,114.206031799316,-57.4741630554199,7.14336585998535,0.0598527938127518,0.412481009960175,370.335876464844,53.5428,62.5618324279785,0.220051839947701,-6.98708820343018,4.21164083480835,0.0,0.0,39.1933364868164,0.728019118309021,2.88317441940308,0.0423489958047867,,0.0426901616156101,,0.275157243013382,1.9888436794281,0.249726191163063,1.3354606628418,3.43175625801086,0.861140131950378
InChI%3D1S%2FC11H15NO2%2Fc1-7-5-10%2814-11%2813%2912-4%296-8%282%299%287%293%2Fh5-6H%2C1-4H3%2C%28H%2C12%2C13%29,0.283317714929581,0.362743228673935,10.2779769897461,3.0,4.38093566894531,3.0,178.125995635986,0.784212172031403,0.143960177898407,0.0,0.21556630730629,1.06893193721771,15.9089260101318,-0.325478434562683,2.82893872261047,119.843193054199,748.925903320312,1.32356297969818,15.3286466598511,-137.793594360352,828.868041992188,9.25317859649658,6.38010597229004,21.5455856323242,-21.3242340087891,1095.64196777344,20.8266448974609,1026.84265136719,15.9928302764893,0.0,2.0,0.733072221279144,1.10796141624451,659.030029296875,0.842873573303223,15.9959211349487,5.18559556786704,0.0402119867503643,3.27272727272727,2.41710042953491,695.541809082031,6.93853282928467,2.53099989891052,11.8500003814697,0.215787827968597,0.5,147.769882202148,0.539917469024658,2.33999991416931,169.903213500977,0.266927778720856,0.0,8.10577869415283,1.156653881073,41.8199996948242,-0.306908875703812,19.634105682373,0.0,-0.0474956519901752,0.272165536880493,1.0,3.06608533859253,0.142857142857143,352.089569091797,2.04672574996948,0.275242745876312,1.0,27.8927707672119,0.2834792137146,2.5344,0.734461724758148,-0.261209905147552,0.5,8.96596717834473,0.193345576524734,5.60977554321289,0.0,58.3736991882324,2.48169636726379,-0.0716546773910522,329.129150390625,3.17625427246094,57.4638214111328,-0.0173166077584028,2.0,378.426910400391,3.96793818473816,0.104002177715302,1.0,18.0540714263916,168.0,1.13498711585999,4.705153465271,0.412463217973709,1.19711399078369,2.53699994087219,0.0,1.24140799045563,5.0,41.82,2.0,5.18559551239014,0.0555555559694767,53.8062782287598,0.0,10.0,0.0,0.0,3.27272725105286,0.205950379371643,209.285949707031,-61.8655166625977,8.95737648010254,0.020833333954215,0.28302600979805,516.220520019531,57.2688,96.8827667236328,0.522541344165802,-9.57399082183838,4.45737600326538,0.5,0.0,39.378303527832,0.837504863739014,3.29031252861023,0.0710051730275154,1.0,0.144337564706802,0.0,0.371182292699814,2.30096840858459,0.246369287371635,1.20593225955963,6.40596103668213,0.64602142572403
InChI%3D1S%2FC9H16N4OS%2Fc1-9%282%2C3%296-11-12-8%2815-6%2913%285%297%2814%2910-4%2Fh1-5H3%2C%28H%2C10%2C14%29,,0.732898950576782,12.9897012710571,5.0,1.19055080413818,0.0,212.192997932434,0.854545891284943,0.205664664506912,0.0,0.289243876934052,1.36448705196381,23.3421745300293,,2.28572487831116,98.936508178711,1070.0537109375,1.5611218214035,20.1949462890625,-133.518630981445,1219.33142089844,5.63319969177246,9.3394889831543,32.3356399536133,-17.8754272460938,1677.45690917969,31.3670425415039,1375.05322265625,23.5804290771484,0.0,3.0,0.790751695632935,3.95781803131104,814.059997558594,1.06714987754822,,4.88842975206612,0.041492260992527,3.2256,0.0,1131.64526367188,4.44104909896851,1.94060003757477,,0.14545413851738,0.5,176.778427124023,0.715425431728363,1.78999996185303,238.569305419922,0.209248334169388,0.0,9.27590465545654,2.10518193244934,,-0.282388687133789,24.8245182037354,1.10520946979523,-0.0378060974180698,0.665320515632629,1.0,3.11692237854004,0.2,404.045196533203,1.90789639949799,0.175964385271072,2.0,37.2099571228027,0.280997186899185,1.8156,0.716743171215057,-0.249642416834831,0.0,,0.231188908219337,0.0,0.0,49.0110015869141,3.52830648422241,-0.175473555922508,373.882110595703,4.06979179382324,79.3280487060547,0.048837698996067,3.0,504.568328857422,4.62201547622681,0.105043761432171,0.0,19.618314743042,182.0,2.49291849136353,,0.428912609815598,2.29290461540222,2.59899997711182,0.117851130664349,2.24835228919983,6.0,89.85,5.0,4.88842964172363,0.126966953277588,46.7790260314941,0.0612372420728207,9.0,0.0,0.0,3.22560000419617,0.31812247633934,274.945617675781,-63.1300926208496,10.4608125686646,0.0580047480762005,0.248495995998383,638.0869140625,62.9998,68.7734222412109,1.66592991352081,-8.4518346786499,5.41081285476685,0.0,0.25,37.4937400817871,0.764812529087067,5.17838335037231,0.146628126502037,1.0,0.494389832019806,0.0,0.416783839464188,3.26831603050232,0.163386583328247,1.75066792964935,3.76592826843262,1.0059118270874
InChI%3D1S%2FC11H15NO2S%2Fc1-7-5-9%2814-11%2813%2912-3%296-8%282%2910%287%2915-4%2Fh5-6H%2C1-4H3%2C%28H%2C12%2C13%29,0.283318549394608,0.55296003818512,11.7305250167847,4.0,4.38093566894531,4.0,210.19299697876,0.81027489900589,0.246362522244453,0.0,0.257616490125656,1.09536039829254,23.036678314209,-0.325481832027435,2.69568729400635,158.217712402344,985.820251464844,1.30975782871246,19.6682167053223,-187.229904174805,1092.86328125,8.85741901397705,7.93947744369507,25.8851547241211,-24.3497085571289,1440.13098144531,29.505786895752,1408.74438476562,21.6626148223877,0.0,3.0,0.678464710712433,0.993706405162811,690.039978027344,0.802873969078064,31.972677230835,5.915,0.0373933911323547,3.5,2.24936532974243,1048.8349609375,6.31559371948242,2.3306999206543,11.9984560012817,0.189725086092949,0.444444447755814,164.278274536133,0.521357655525208,2.23000001907349,194.401794433594,0.321535289287567,0.0,9.05415058135986,1.10028660297394,67.120002746582,-0.380494832992554,21.9141044616699,0.0,-0.0494842864573002,0.19245009124279,0.800000011920929,3.79110765457153,0.2,398.711578369141,2.12644124031067,0.229801073670387,1.0,33.051685333252,0.299844205379486,2.9479,0.803497314453125,-0.271539956331253,0.5,11.3436841964722,0.20555567741394,5.60977554321289,0.0,66.9095993041992,2.28725790977478,-0.0877036303281784,333.851776123047,3.68419766426086,68.2254943847656,-0.0316442996263504,3.0,395.069793701172,3.985595703125,0.0933769270777702,1.0,18.400146484375,197.0,1.44158387184143,4.74230575561523,0.396004736423492,2.15218544006348,2.20900011062622,0.0,1.83192503452301,5.0,67.12,2.0,5.91499996185303,0.0555555559694767,77.8541030883789,0.0,10.0,0.0,1.0,3.5,0.189678534865379,175.634078979492,-92.1301193237305,10.1821212768555,0.020833333954215,0.274993181228638,582.299682617188,64.3128,93.357925415039,0.550634443759918,-11.9817485809326,5.79449319839478,0.5,0.0,42.7498550415039,0.779199957847595,4.01505756378174,0.0756873562932014,1.0,0.176776692271233,0.0,0.392395466566086,3.09059166908264,0.239376842975616,2.20429730415344,5.43216228485107,0.854770064353943
InChI%3D1S%2FC22H28N2O3%2Fc1-14-11-15%282%2913-17%2812-14%2921%2826%2924%2822%284%2C5%296%2923-20%2825%2918-9-8-10-19%2827-7%2916%2818%293%2Fh8-13H%2C1-7H3%2C%28H%2C23%2C25%29,0.253821283578873,0.856932818889618,18.9982662200928,5.0,7.90559387207031,7.0,340.252991676331,0.904542803764343,0.502073585987091,0.0,0.133621990680695,2.12591433525085,30.0433826446533,-0.348608404397964,7.15481472015381,184.303146362305,1854.10339355469,1.32905459403992,30.1869125366211,-350.820587158203,2143.13427734375,2.3401780128479,9.71753692626953,44.7647819519043,-22.7009048461914,3001.64086914062,49.259334564209,3127.96044921875,49.8128623962402,0.0,6.0,0.751731693744659,0.0251495502889156,2434.05004882812,1.43091940879822,15.9969339370728,9.66686496133254,0.0335573516786098,5.9904,7.29578018188477,2953.65161132812,11.8224210739136,3.57340002059937,11.8900003433228,0.0954572260379791,0.5,414.272216796875,0.436729609966278,3.32999992370605,788.566101074219,0.248268306255341,0.0,18.4931392669678,3.15124535560608,62.1300010681152,-0.472578108310699,35.463794708252,0.0,-0.0305795911699533,0.788837313652039,1.0,7.56900882720947,0.214285714285714,671.491577148438,5.33018016815186,0.376603573560715,1.0,105.396347045898,0.423524558544159,4.7809,2.18633794784546,-0.223879605531693,3.43386721611023,11.1556606292725,-0.0263460818678141,12.9147500991821,0.0,114.379302978516,5.39512586593628,0.110904671251774,558.051574707031,8.64449882507324,272.203430175781,-0.155965179204941,6.0,1062.24975585938,11.7879323959351,0.111900433897972,1.0,24.9114589691162,520.0,2.16961765289307,5.01309537887573,0.538664698600769,2.81161236763,4.36899995803833,0.0,2.9533519744873,10.0,62.13,4.0,9.66686534881592,0.136082768440247,136.818313598633,0.0,19.0,0.200000002980232,0.0,5.9903998374939,0.330804079771042,373.748413085938,-260.433319091797,17.1222381591797,0.0481125228106976,0.183012127876282,1413.0703125,108.7353,70.8631210327148,1.98922491073608,-16.852123260498,8.88699150085449,0.31622776389122,0.223606795072556,47.612361907959,0.804100275039673,7.72060489654541,0.106045968830585,1.0,0.255401641130447,1.0,0.353660255670547,4.23605346679688,0.133283674716949,2.94691467285156,12.7691879272461,1.63872146606445
InChI%3D1S%2FC6H8N2O%2Fc7-4-1-2-6%289%295%288%293-4%2Fh1-3%2C9H%2C7-8H2,0.163956075906754,0.0909610167145729,6.26672077178955,3.0,1.65096366405487,6.0,116.078997612,0.727083802223206,0.00621129991486669,0.0,0.227999225258827,0.0456435307860374,10.4944448471069,-0.358840972185135,2.22709369659424,108.563278198242,417.245635986328,1.27219247817993,9.66446208953857,-114.643341064453,452.955139160156,10.4308443069458,3.99398350715637,13.3289251327515,-24.1403923034668,567.394409179688,11.8823909759521,430.126800537109,5.02445030212402,0.0,0.0,0.675245225429535,4.34026145935059,217.029998779297,0.713062167167664,15.9949169158936,2.72222222222222,0.0717761367559433,1.70414201183432,0.0,150.62841796875,0.0,-1.55309998989105,11.8500003814697,0.272916167974472,0.400000005960464,75.4599151611328,0.555632054805756,1.78999996185303,79.68603515625,0.324754774570465,0.0,8.02111721038818,0.760079681873322,72.2699966430664,-0.342942595481873,7.42565584182739,0.0,-0.0722132548689842,0.16666667163372,0.666666686534882,1.81676292419434,0.0,243.059097290039,1.33160018920898,0.355384230613708,0.0,9.17892742156982,0.09298737347126,0.5566,0.0680413842201233,-0.0189520716667175,1.65096366405487,7.89214658737183,-0.0267242919653654,5.85380077362061,0.0,39.6609001159668,1.47827804088593,-0.000209629492019303,225.72981262207,1.55802857875824,15.8516464233398,-0.0197017807513475,0.0,238.37174987793,2.07593297958374,0.00728347897529602,0.0,23.9942665100098,67.0,0.342518478631973,4.93480730056763,0.529183447360992,0.306271016597748,0.180000007152557,0.0,0.298112750053406,0.0,72.27,2.0,2.72222232818604,0.0680413842201233,36.2919540405273,0.0,9.0,0.0,0.0,1.70414197444916,0.20412415266037,117.166534423828,-38.3244781494141,4.83396482467651,0.0240562614053488,0.339764535427094,353.015106201172,36.9316,91.2339935302734,0.244108095765114,-8.06996631622314,2.53899097442627,0.0,0.0,48.1346588134766,0.669731736183167,1.81825315952301,0.0385360643267632,1.0,0.0215165745466948,0.0,0.187377035617828,1.05158722400665,0.206305131316185,0.572996973991394,2.4121196269989,0.32458508014679
InChI%3D1S%2FC14H16ClN3O2%2Fc1-14%282%2C3%2912%2819%2913%2818-9-16-8-17-18%2920-11-6-4-10%2815%295-7-11%2Fh4-9%2C13H%2C1-3H3,0.190073996782303,0.681388914585114,12.7125263214111,4.0,2.10257887840271,7.0,277.625993728638,0.916316449642181,0.350694715976715,0.0,0.150900334119797,1.22236931324005,30.3416557312012,-0.318038731813431,4.69488191604614,208.139221191406,1274.09997558594,1.36885941028595,25.1389274597168,-364.375305175781,1454.19665527344,0.336160928010941,6.79527473449707,37.5021171569824,-27.5909824371338,1977.39721679688,35.7742614746094,1799.701171875,32.7127952575684,0.0,5.0,0.646901428699493,0.0,1301.06005859375,1.13248670101166,34.9688529968262,6.84,0.0355500504374504,4.49632653061224,2.93766689300537,1717.74694824219,3.04879641532898,1.78460001945496,11.9943561553955,0.0836835354566574,0.444444447755814,224.778121948242,0.407319813966751,2.33999991416931,393.50390625,0.353098571300507,1.0,12.3525371551514,2.32824087142944,,-0.618145883083344,27.1381397247314,0.5,-0.0468068271875381,0.636082768440247,0.800000011920929,4.782310962677,0.238095238095238,540.136413574219,3.61370658874512,0.369311511516571,0.0,45.9482269287109,0.467361837625504,3.1243,1.45804238319397,-0.246836364269257,4.35397911071777,10.4659776687622,-0.0536391399800777,8.45763683319092,0.0,82.2531967163086,3.81979632377625,0.114303968846798,381.32568359375,4.62952470779419,97.6580123901367,-0.071491114795208,5.0,667.561157226562,6.47435474395752,0.0961547121405602,1.0,20.955509185791,305.0,1.63339912891388,5.64551162719727,0.48150098323822,1.64580571651459,1.98199999332428,0.144337564706802,1.83555817604065,8.0,57.01,4.0,6.84000015258789,0.16666667163372,122.690773010254,0.0559016987681389,7.0,0.0,0.0,4.4963264465332,0.249296993017197,173.186477661133,-214.786468505859,12.6985683441162,0.0600526407361031,0.18159806728363,1031.9365234375,75.601,49.3285102844238,1.70994091033936,-16.263916015625,6.92963314056396,0.333333343267441,0.25,48.5464935302734,0.704979479312897,6.18760967254639,0.072150856256485,0.0,0.206168875098228,1.0,0.480038613080978,3.24919033050537,0.108415745198727,1.95267963409424,3.18479704856873,1.24813079833984
InChI%3D1S%2FC12H10Cl2F3NO%2Fc13-5-7-6-18%2811%2819%2910%287%2914%299-3-1-2-8%284-9%2912%2815%2C16%2917%2Fh1-4%2C7%2C10H%2C5-6H2,0.416743874549866,0.923632979393005,11.5784959793091,2.0,4.11402320861816,5.0,302.037991523743,0.890604257583618,0.499780982732773,0.0,0.284781843423843,0.58523827791214,40.0660972595215,-0.277788400650024,2.73729848861694,327.545501708984,1161.53796386719,1.41496014595032,26.4794769287109,-493.0771484375,1371.25012207031,7.19740343093872,8.25595951080322,43.6569976806641,-53.7077178955078,1948.89733886719,48.1667518615723,1829.86791992188,43.877857208252,0.0,3.0,0.490720868110657,0.0,558.070007324219,0.738716423511505,34.970157623291,5.78,0.0361733995378017,3.19113573407202,0.0,1454.82495117188,0.0,2.27290010452271,11.9985237121582,0.109395742416382,0.444444447755814,202.985992431641,0.611326217651367,2.00999999046326,305.569000244141,0.509279131889343,5.0,14.9630756378174,2.36467933654785,,-0.766653478145599,18.31907081604,0.0,-0.0835066288709641,0.786957681179047,0.800000011920929,5.16132640838623,0.15,572.796752929688,3.91432476043701,0.236412271857262,0.0,29.0327014923096,0.554324805736542,3.5794,1.73054313659668,-0.29144275188446,5.15518665313721,10.3352117538452,0.0519745349884033,11.1995935440063,0.0,69.720703125,4.40923833847046,-0.0421551801264286,315.609680175781,5.98170328140259,53.8370132446289,-0.0978613793849945,3.0,475.109283447266,7.72555923461914,0.0505452789366245,0.0,23.2651100158691,276.0,1.81168293952942,3.64433979988098,0.524078190326691,2.30941414833069,2.31100010871887,0.078567422926426,2.41049361228943,3.0,20.31,2.0,5.78000020980835,0.341384649276733,210.66259765625,0.0527046285569668,9.0,0.0,0.0,3.19113564491272,0.521960139274597,-11.9358434677124,-317.125122070312,11.1354570388794,0.172675892710686,0.184472918510437,968.186401367188,64.4482,70.3584365844727,0.779419720172882,-34.5423965454102,6.50082206726074,0.0,0.0134987309575081,76.9728317260742,0.701494872570038,5.09187793731689,0.240140870213509,0.0,0.209694892168045,1.0,0.279555708169937,3.95567321777344,0.276807904243469,2.63085842132568,5.16607427597046,1.58332753181458
InChI%3D1S%2FC8H10N2O4S%2Fc1-14-8%2811%2910-15%2812%2C13%297-4-2-6%289%293-5-7%2Fh2-5H%2C9H2%2C1H3%2C%28H%2C10%2C11%29,0.294693678617477,0.424434900283813,11.7700862884521,6.0,0.793700516223907,6.0,220.16499710083,0.78108137845993,0.152220711112022,0.0,0.27689516544342,1.16090047359467,24.9456043243408,-0.324948310852051,2.34038400650024,199.263732910156,945.834899902344,1.50091826915741,25.2246952056885,-321.393127441406,1057.31604003906,4.76572370529175,8.26880264282227,30.9348983764648,-36.0445671081543,1435.90881347656,31.6079387664795,1296.7421875,25.9285545349121,0.0,3.0,0.586344599723816,1.40118765830994,415.070007324219,0.94571715593338,31.9720726013184,5.36507936507936,0.0612394325435162,3.8109640831758,0.617213428020477,993.5869140625,0.696238338947296,-0.740000009536743,11.8500003814697,0.218918606638908,0.444444447755814,136.060516357422,0.6013143658638,1.57000005245209,219.452453613281,0.413655400276184,0.0,14.2105312347412,1.77216470241547,110.360000610352,-0.667186141014099,19.9840698242188,0.0,-0.0748256072402,0.348461717367172,0.800000011920929,3.25066614151001,0.2,376.258117675781,2.24578189849854,0.198841691017151,1.0,31.6683807373047,0.446834176778793,1.5987,0.541233360767365,-0.346990346908569,3.30192732810974,11.1460990905762,0.282069772481918,5.78095483779907,0.0,57.7993011474609,2.86154723167419,-0.266479015350342,282.450622558594,3.88553094863892,65.904411315918,0.182552009820938,3.0,455.565521240234,4.57359743118286,0.098631426692009,1.0,29.4999122619629,198.0,0.914551973342896,4.78882455825806,0.4975406229496,0.938388526439667,-0.231000006198883,0.0,0.918458342552185,8.0,110.36,6.0,5.36507940292358,0.0833333358168602,95.9882049560547,0.0,14.0,0.94494080543518,0.0,3.81096410751343,0.125,83.1868743896484,-154.819686889648,8.37303352355957,0.0277777779847383,0.20137482881546,776.958679199219,55.1572,105.456237792969,0.576769828796387,-17.3631858825684,4.69895887374878,0.94494080543518,0.0323152802884579,65.5444793701172,0.652840852737427,3.52357959747314,0.0401238948106766,1.0,0.0768570229411125,2.0,0.402063339948654,2.2693989276886,0.182601541280746,1.31902575492859,0.547599971294403,0.836329340934753
InChI%3D1S%2FC17H9Cl3N4O2%2Fc18-10-3-1-9%282-4-10%2911%287-21%2915-12%2819%295-6-13%2816%2815%2920%2924-17%2826%2923-14%2825%298-22-24%2Fh1-6%2C8%2C11H%2C%28H%2C23%2C25%2C26%29,0.365443795919418,1.30397474765778,17.8483028411865,5.0,10.8713521957397,10.0,398.571990966797,0.771423041820526,0.708503007888794,0.0,0.311374992132187,1.80691683292389,52.1271514892578,-0.376547127962112,2.6819314956665,396.770599365234,2032.32336425781,1.24337887763977,35.8764953613281,-856.181274414062,2418.95092773438,5.4652886390686,13.3594541549683,55.3923835754395,-63.5496063232422,3443.98071289062,66.8488464355469,3753.93896484375,73.7549896240234,0.0,3.0,0.430400878190994,0.51126366853714,1031.08996582031,0.928751230239868,34.9708557128906,9.0,0.0399442203342915,4.54320987654321,0.0,3420.6572265625,0.0,1.60029995441437,11.9884510040283,0.228576943278313,0.461538463830948,208.839920043945,0.573688983917236,2.33999991416931,450.650390625,0.569599092006683,3.0,19.3818092346191,1.92723095417023,26.0200004577637,-1.22912359237671,19.0696907043457,0.333333343267441,-0.0912310555577278,0.486467778682709,0.857142865657806,8.0888671875,0.107142857142857,537.356872558594,6.43694400787354,0.150262549519539,0.0,64.8145904541016,0.530870735645294,3.94878,2.75128197669983,-0.231393575668335,6.87475109100342,12.5758924484253,0.0137826073914766,20.3441314697266,0.0,106.464797973633,4.55821561813354,-0.0387717559933662,299.808074951172,7.69438123703003,147.403182983398,-0.0562202110886574,3.0,646.948303222656,11.3360910415649,0.101237460970879,0.0,27.8242931365967,534.0,2.01674127578735,4.82375860214233,0.352498978376389,2.89702010154724,1.88699996471405,0.0,3.62283039093018,3.0,91.8,6.0,9.0,0.206930264830589,276.381927490234,0.0,11.0,0.25,0.0,4.54321002960205,0.482073456048965,-96.9625244140625,-596.397644042969,15.4774780273438,0.0714328810572624,0.174460753798485,1503.12951660156,98.2218,159.221817016602,0.99232703447342,-44.2672996520996,8.70614337921143,0.0,0.0,91.3739013671875,0.845540285110474,6.79236841201782,0.147059231996536,1.0,0.194404438138008,1.0,0.31719097495079,4.88291597366333,0.136614233255386,3.45775604248047,2.56096005439758,2.33010578155518
InChI%3D1S%2FC5H5N3O%2Fc6-5%289%294-3-7-1-2-8-4%2Fh1-3H%2C%28H2%2C6%2C9%29,0.185082763433456,0.055412694811821,5.971360206604,4.0,1.0,1.0,118.074997901917,0.607279658317566,0.0182291343808174,0.0,0.29899862408638,0.000119122028991114,10.8544330596924,-0.343515545129776,1.6002162694931,103.877571105957,346.908172607422,1.51521801948547,10.1630182266235,-117.253852844238,370.574249267578,8.13710498809814,4.37102460861206,12.8826694488525,-29.627010345459,438.279449462891,10.9379043579102,334.605285644531,6.41173124313354,0.0,1.0,0.692891657352448,5.63136720657349,124.040000915527,0.782115161418915,15.9949178695679,3.2396694214876,0.0808478891849518,2.0,0.0,156.071792602539,0.0,-1.34529995918274,11.9885921478271,0.392720341682434,0.400000005960464,79.2730865478516,0.56793349981308,1.57000005245209,89.4810562133789,0.30710831284523,0.0,9.24973106384277,0.5,,-0.346654564142227,8.10603523254395,0.333333343267441,-0.0875906199216843,0.16666667163372,0.666666686534882,1.80083346366882,0.111111111111111,205.408752441406,1.25044357776642,0.267981857061386,0.0,6.99529647827148,0.282010853290558,0.36,0.235702261328697,-0.122748136520386,1.65096366405487,7.80863046646118,-0.139307796955109,2.62074136734009,0.0,31.4822998046875,1.04044008255005,0.0910447984933853,234.366516113281,1.05473780632019,12.967490196228,0.0637135580182076,1.0,264.545806884766,1.04044008255005,1.99488931684755e-05,0.0,27.346321105957,69.0,0.184552550315857,4.72127294540405,0.502912402153015,0.146361693739891,-0.958999991416931,0.0,0.10611267387867,3.0,69.86,4.0,3.23966932296753,0.102062076330185,35.1359748840332,0.0,9.0,0.0,0.0,2.0,0.0589255653321743,130.48893737793,-39.6604232788086,4.57369136810303,0.0192450098693371,0.304285764694214,381.799682617188,31.4895,132.835327148438,0.120451420545578,-10.0211610794067,2.34381866455078,0.0,0.0,56.973331451416,0.8118656873703,1.43925964832306,0.00962250493466854,1.0,0.0144337564706802,0.0,0.444372117519379,0.805794417858124,0.194468319416046,0.421376675367355,1.80983209609985,0.224254429340363
InChI%3D1S%2FC7H14NO5P%2Fc1-6%285-7%289%298-2%2913-14%2810%2C11-3%2912-4%2Fh5H%2C1-4H3%2C%28H%2C8%2C9%29,0.458031684160233,0.093300461769104,10.499062538147,6.0,0.5,2.0,209.052996635437,0.685217916965485,0.0505434274673462,0.0,0.157793745398521,1.49030554294586,23.8827476501465,-0.345191687345505,3.30015444755554,119.86759185791,435.819030761719,1.48845732212067,24.4017448425293,-200.367858886719,450.104888916016,5.38581514358521,5.70860290527344,28.0992603302002,-30.8265762329102,538.532897949219,24.308967590332,507.818145751953,20.3976039886475,1.5,5.0,0.729347050189972,0.724509596824646,547.070007324219,1.21915948390961,30.973762512207,6.47750865051903,0.0468027591705322,5.48096885813149,1.14297616481781,447.389221191406,2.42946577072144,0.144099995493889,11.996319770813,0.314782053232193,0.5,143.058059692383,0.565291345119476,1.46000003814697,239.132507324219,0.270652920007706,0.0,9.18014526367188,1.50412690639496,87.1600036621094,-0.452417075634003,30.8108978271484,0.0,-0.069604329764843,0.0,1.0,2.31682276725769,0.384615384615385,303.471405029297,1.12076044082642,0.314328491687775,1.0,32.2650718688965,0.707244455814362,1.894,0.343443363904953,-0.682332277297974,0.0,7.49572658538818,0.625794887542725,2.0,1.0,51.5987014770508,2.51063656806946,-0.375981628894806,323.015441894531,3.20971894264221,70.8404083251953,0.160854041576385,5.0,539.945068359375,2.57801580429077,0.141946524381638,3.0,20.7281494140625,159.0,0.567122519016266,3.19767260551453,0.448868930339813,0.595967471599579,0.096000000834465,0.0,0.453180849552155,14.0,87.16,6.0,6.47750854492188,0.0,53.0873222351074,0.0,10.0,0.16666667163372,0.0,5.48096895217896,0.0,203.147857666016,-88.7395248413086,8.77592658996582,0.0,0.206458747386932,740.312927246094,52.4543,139.411636352539,0.358251690864563,-13.6525678634644,4.08839130401611,1.85314404964447,0.0186432246118784,51.5547256469727,0.694303095340729,2.69294548034668,0.0,1.0,0.0,1.0,0.474297046661377,1.61650276184082,0.273995488882065,0.77428275346756,0.02076480910182,0.351152956485748
InChI%3D1S%2FC4H6O2%2Fc1-3%282%294%285%296%2Fh1H2%2C2H3%2C%28H%2C5%2C6%29,0.304821819067001,0.0,4.17628240585327,1.0,1.0,0.0,80.0419979095459,0.656512200832367,0.0,0.0,0.183620780706406,0.285363584756851,7.54893827438354,-0.347090244293213,1.47635507583618,123.792091369629,171.350662231445,1.33300280570984,5.66418409347534,-88.2729797363281,160.023239135742,13.55628490448,2.41456389427185,7.43865299224854,-24.3380088806152,163.172256469727,5.32836771011353,87.1754302978516,0.0,0.0,1.0,0.587680757045746,1.7387353181839,91.0199966430664,0.419060111045837,15.9982576370239,2.22222222222222,0.0406625755131245,3.0,0.0,0.0,2.82842707633972,0.914099991321564,11.9964618682861,0.343487769365311,0.333333343267441,52.9736633300781,0.502581417560577,1.67999994754791,37.7741661071777,0.412319272756577,0.0,3.66533327102661,0.666666686534882,37.2999992370605,-0.29401433467865,7.51724195480347,0.0,-0.0810635760426521,0.333333343267441,0.5,0.0,0.2,197.107025146484,0.0,0.353509396314621,0.0,4.67508029937744,0.19309838116169,-0.6876,0.0,-0.112960740923882,0.0,6.82425308227539,0.0317592620849609,0.0,0.0,21.6485004425049,1.33333337306976,-0.015347714535892,176.441497802734,0.0,9.86861419677734,0.0,1.0,125.815925598145,0.0,0.0683295726776123,0.0,12.2082710266113,24.0,0.229144126176834,3.81212067604065,0.473040252923965,0.0,0.39300000667572,0.0,0.0,6.0,40.13,2.0,2.22222232818604,0.0,37.1665458679199,0.0,5.0,0.5,0.0,3.0,0.0,52.6494026184082,-26.502513885498,3.56256866455078,0.0,0.459915101528168,214.088897705078,20.5075,103.126564025879,0.222420245409012,-7.30708789825439,1.53128433227539,0.0,0.0,36.5462799072266,0.620574593544006,1.08548259735107,0.0,1.0,0.0322748608887196,1.0,0.357381135225296,0.36509120464325,0.400638192892075,0.0,0.835578799247742,0.0
InChI%3D1S%2FC22H18N2O4%2Fc1-22%2816-12-14-19%2815-13-16%2927-18-10-6-3-7-11-18%2920%2825%2924%2821%2826%2928-22%2923-17-8-4-2-5-9-17%2Fh2-15%2C23H%2C1H3,0.362719535827637,0.90139901638031,27.5016899108887,6.0,3.57736825942993,17.0,356.251991271973,0.840479731559753,0.539776146411896,0.0,0.389664173126221,1.5570023059845,31.8178520202637,-0.310031056404114,2.48889303207397,320.325836181641,1784.80627441406,1.36961185932159,33.8510971069336,-675.508422851562,2101.46508789062,2.54863405227661,23.4557933807373,50.0887145996094,-37.0603561401367,2972.5234375,52.2511749267578,2934.44580078125,44.5907783508301,0.16666667163372,5.0,0.58305424451828,0.805785894393921,1645.06005859375,1.22955429553986,15.9979410171509,9.42768595041322,0.0404745452105999,4.85492674518816,2.28453755378723,2515.52734375,1.67667174339294,2.04679989814758,11.8500003814697,0.159520298242569,0.5,344.138854980469,0.522675752639771,3.22000002861023,725.725708007812,0.416945785284042,0.0,23.8894824981689,1.98792779445648,67.870002746582,-0.879262149333954,26.7457256317139,0.0,-0.0482388809323311,0.690704941749573,1.0,8.74736404418945,0.161290322580645,645.713134765625,6.94765663146973,0.0904996395111084,0.0,98.7748947143555,0.590445935726166,4.6379,3.05641078948975,-0.346078157424927,16.7580299377441,10.7705097198486,0.0550541058182716,17.7196140289307,0.0,116.319297790527,5.04940223693848,-0.00748017523437738,447.941528320312,8.18496227264404,217.172760009766,0.042696014046669,5.0,944.62646484375,11.3574256896973,0.0566147901117802,2.0,31.095272064209,740.0,1.6135162115097,4.81622886657715,0.38638573884964,2.05933499336243,3.21099996566772,0.0680413842201233,2.18212008476257,0.0,67.87,5.0,9.42768573760986,0.578977882862091,246.095901489258,0.0228217728435993,13.0,0.25,0.0,4.85492658615112,0.822353780269623,127.615692138672,-518.971069335938,15.1631107330322,0.156205251812935,0.146949306130409,1620.13488769531,101.4819,122.554244995117,0.82171767950058,-28.4722633361816,8.78829956054688,0.934275984764099,0.0510310381650925,68.155632019043,0.794776737689972,6.45910167694092,0.142841443419456,0.0,0.164198160171509,2.0,0.460550367832184,4.48398685455322,0.171961560845375,2.94642210006714,4.18939018249512,1.88280165195465
InChI%3D1S%2FC19H15ClF3NO7%2Fc1-3-29-17%2825%2910%282%2930-18%2826%2913-9-12%285-7-15%2813%2924%2827%2928%2931-16-8-11%2819%2821%2C22%2923%294-6-14%2816%2920%2Fh4-10H%2C3H2%2C1-2H3,,0.844091057777405,20.439359664917,7.0,9.6194190979004,10.0,446.655987739563,0.904504299163818,0.421808898448944,0.0,0.153405204415321,1.73368144035339,49.0001564025879,,7.71188640594482,416.945831298828,1591.83251953125,1.39119386672974,39.6269454956055,-1068.59582519531,1843.15112304688,0.917276978492737,10.9937925338745,63.1279373168945,-59.8300971984863,2533.02392578125,66.6871337890625,2661.71948242188,62.3091430664062,0.608220219612122,10.0,0.458888977766037,0.0,1279.11999511719,1.17609238624573,,11.9234404536862,0.0216884929686785,7.77520661157025,1.90837526321411,2440.25073242188,3.19724225997925,1.70640003681183,,0.0954956784844398,0.466666668653488,272.45458984375,0.568777859210968,2.23000001907349,698.27734375,0.541111052036285,4.0,12.8770351409912,3.42946171760559,95.9700012207031,-1.3868203163147,29.3471050262451,0.0,-0.0776473134756088,1.0053938627243,0.875,7.70789813995361,0.3125,696.953674316406,6.11639213562012,0.377305686473846,0.0,117.212562561035,1.03656268119812,5.6909,2.80470061302185,-0.5497105717659,4.53731298446655,,0.0704896375536919,16.348331451416,0.0,48.3504981994629,6.20348310470581,0.194837480783463,353.590728759766,7.84810161590576,284.638427734375,-0.683186411857605,10.0,906.22216796875,10.9435710906982,0.0848207250237465,3.0,16.7117767333984,724.0,1.52536106109619,,0.489713132381439,1.61464357376099,5.99100017547607,0.0,1.80683732032776,10.0,107.65,4.0,11.9234399795532,0.136082768440247,321.272003173828,0.0,19.0,1.19526600837708,0.0,7.77520656585693,0.276854544878006,-63.3550987243652,-823.39208984375,16.8212966918945,0.0481125228106976,0.122467845678329,1974.81799316406,103.3025,73.5829162597656,0.889720618724823,-46.1012763977051,9.02097034454346,2.51648926734924,0.0134987309575081,76.5418701171875,0.587892174720764,6.38787317276001,0.0817336365580559,0.0,0.135352298617363,4.0,0.332702904939651,4.08555507659912,0.16260176897049,2.47410488128662,2.91180086135864,1.63108313083649
InChI%3D1S%2FC10H19O6PS2%2Fc1-5-15-9%2811%297-8%2810%2812%2916-6-2%2919-17%2818%2C13-3%2914-4%2Fh8H%2C5-7H2%2C1-4H3,0.275514662265778,1.84157657623291,18.3738994598389,8.0,1.65096366405487,0.0,311.21199798584,0.857722580432892,0.96600329875946,1.0,0.172697305679321,1.0574723482132,41.552734375,-0.355016529560089,6.96096324920654,156.101577758789,1081.07934570312,1.22758853435516,38.9669189453125,-304.838317871094,1187.5966796875,0.681823313236237,10.3554639816284,51.7453994750977,-28.5791568756104,1486.51208496094,46.610107421875,1519.185546875,44.8924179077148,1.31556057929993,11.0,0.780834496021271,0.0,1027.08996582031,1.52482926845551,31.9730739593506,9.8336483931947,0.0331989713013172,7.3728,2.58456468582153,1433.15270996094,2.60027813911438,1.96410000324249,11.9962491989136,0.142277404665947,0.444444447755814,396.122100830078,0.449115425348282,1.57000005245209,773.555236816406,0.21916551887989,0.0,16.842041015625,1.61782073974609,138.259994506836,-0.427990853786469,36.6909332275391,0.0,-0.0401249378919601,0.117851130664349,0.800000011920929,3.507000207901,0.611111111111111,610.916564941406,2.22840571403503,0.378850638866425,0.0,90.3956451416016,0.866661727428436,2.7724,0.83536410331726,-0.566419005393982,0.685006737709045,11.6161298751831,0.359758257865906,3.79021191596985,1.0,77.2726974487305,3.07915759086609,-0.214574784040451,556.152648925781,3.79847741127014,184.996383666992,-0.477301210165024,11.0,1086.06616210938,4.12832593917847,0.0575529597699642,4.0,23.6461086273193,251.0,4.71259880065918,4.69878768920898,0.388307362794876,5.73584890365601,2.00699996948242,0.0,5.20302581787109,19.0,138.26,6.0,9.83364868164062,0.0,111.184005737305,0.0,4.0,0.200000002980232,1.0,7.37279987335205,0.0,400.051086425781,-217.122375488281,13.9392910003662,0.0,0.166259571909904,1390.90441894531,77.791,101.337684631348,2.54792833328247,-20.3556270599365,9.76392078399658,1.92224907875061,0.335410207509995,52.2252655029297,0.722443997859955,9.78234958648682,0.0,0.0,0.0416666679084301,2.0,0.390165746212006,7.77814102172852,0.140999615192413,4.95241498947144,3.85768890380859,3.24008440971375
InChI%3D1S%2FC22H17ClF3N3O7%2Fc1-33-18%2830%2921-10-12-9-13%2823%293-8-16%2812%2917%2821%2927-28%2811-35-21%2919%2831%2929%2820%2832%2934-2%2914-4-6-15%287-5-14%2936-22%2824%2C25%2926%2Fh3-9H%2C10-11H2%2C1-2H3,0.523297190666199,1.75611245632172,,10.0,8.31306457519531,1.0,510.702986717224,,1.09714543819427,0.0,,,54.7201347351074,-0.347491890192032,,,2296.22534179688,,47.707202911377,,2801.42553710938,,,78.8950500488281,,4218.4833984375,81.6365661621094,4579.76904296875,87.1247100830078,0.851422488689423,9.0,,,1876.14001464844,,34.9688529968262,11.6230968112611,,6.11248197404262,2.50188446044922,4301.78857421875,2.99214935302734,2.5239999294281,11.9961414337158,,0.5,,,2.33999991416931,,,4.0,,4.07515811920166,,,37.1115188598633,0.0,,0.834531307220459,1.0,11.2864789962769,0.230769230769231,,9.2979793548584,,1.0,,1.50276494026184,3.4668,5.41897201538086,-1.14837682247162,7.47904920578003,11.3349809646606,0.592566967010498,19.9385013580322,0.0,67.4766006469727,7.37378025054932,-0.322976619005203,,12.8745861053467,,0.309784680604935,9.0,,18.3011455535889,,4.0,,942.0,2.29267644882202,2.9291844367981,,3.31564044952393,5.29500007629395,0.0680413842201233,3.93529915809631,7.0,106.97,9.0,11.6230964660645,0.442034065723419,,0.0441941730678082,22.0,0.474957138299942,0.0,6.11248207092285,0.912098109722137,,,19.422830581665,0.177202343940735,,,112.6074,,1.20629966259003,,10.5228281021118,2.31107211112976,0.0471060611307621,,,7.98457717895508,0.289937257766724,0.0,0.179244458675385,3.0,,5.64628505706787,,4.06683444976807,6.37057590484619,2.83736801147461
InChI%3D1S%2FC15H17N5O6S%2Fc1-9-16-13%2818-14%2817-9%2926-4%2920%282%2915%2822%2919-27%2823%2C24%2911-8-6-5-7-10%2811%2912%2821%2925-3%2Fh5-8H%2C1-4H3%2C%28H%2C19%2C22%29,0.294620007276535,0.798663198947906,21.3801975250244,11.0,5.50270652770996,5.0,378.26099395752,0.851612389087677,0.402688026428223,0.0,0.26838356256485,1.97566795349121,39.5745086669922,-0.347641468048096,4.62700510025024,255.409133911133,1797.48583984375,1.52789127826691,40.5504531860352,-691.231811523438,2083.26831054688,2.122727394104,14.7775239944458,53.8659400939941,-47.2057609558105,2938.35815429688,61.153377532959,3087.08203125,66.054069519043,0.090909093618393,7.0,0.648406863212585,0.0170988384634256,1323.11999511719,1.75482940673828,31.9720726013184,10.15625,0.0382728837430477,5.9904,2.0413646697998,2934.80493164062,5.78296089172363,-0.924499988555908,11.9961862564087,0.148387625813484,0.461538463830948,342.168304443359,0.573177874088287,1.78999996185303,926.034240722656,0.351593106985092,0.0,20.1968364715576,2.62773132324219,149.059997558594,-0.951541244983673,37.1105194091797,1.98270320892334,-0.0649828761816025,0.661163151264191,0.857142865657806,7.31070518493652,0.25,618.640075683594,5.62176132202148,0.216415449976921,1.0,106.712585449219,0.9834765791893,1.7951,1.94333922863007,-0.835586965084076,3.96540641784668,12.2635765075684,0.859729170799255,6.484206199646,0.0,96.6369018554688,5.23882532119751,-0.780903875827789,471.024719238281,8.22649955749512,263.180419921875,0.325235694646835,7.0,1274.76745605469,11.8183107376099,0.0924064442515373,2.0,27.8027191162109,559.0,1.61584210395813,4.75804424285889,0.513134717941284,2.03703379631042,-0.159999996423721,0.0,2.33739638328552,8.0,152.55,10.0,10.15625,0.151374712586403,185.537841796875,0.0,23.0,1.42381393909454,0.0,5.9903998374939,0.245216801762581,215.615585327148,-502.134155273438,15.4010343551636,0.0389581173658371,0.123610183596611,1965.99926757812,94.5943,107.793792724609,0.876264572143555,-34.291862487793,8.21883106231689,1.35477125644684,0.0323152802884579,75.0084838867188,0.696690320968628,5.96617937088013,0.0587199702858925,1.0,0.159439206123352,3.0,0.441578716039658,4.00885057449341,0.10874131321907,2.58945727348328,0.854700267314911,1.67014670372009
InChI%3D1S%2FC11H14ClNO%2Fc1-9%282%2913%2811%2814%298-12%2910-6-4-3-5-7-10%2Fh3-7%2C9H%2C8H2%2C1-2H3,0.22808176279068,0.289362192153931,9.25741958618164,2.0,1.5,6.0,197.579995155334,0.925034940242767,0.150499880313873,0.0,0.239175170660019,1.34384918212891,22.8472099304199,-0.278086930513382,1.87557053565979,201.017028808594,850.168762207031,1.40097486972809,16.7823848724365,-204.970550537109,938.564208984375,9.28717613220215,6.03799962997437,21.6682224273682,-25.5577526092529,1197.02795410156,25.370813369751,1200.06713867188,24.3980274200439,0.0,4.0,0.567168056964874,0.168782100081444,602.030029296875,0.578322887420654,34.9688529968262,5.77777777777778,0.0267327707260847,3.27272727272727,2.60297131538391,1026.28942871094,2.88449907302856,0.916499972343445,11.8500003814697,0.0749650746583939,0.428571432828903,122.331634521484,0.527489185333252,2.33999991416931,124.737609863281,0.432831972837448,1.0,5.76595211029053,0.846813380718231,20.3099994659424,-0.441344738006592,18.6628971099854,0.0,-0.0550312176346779,0.245234087109566,0.75,3.45724487304688,0.285714285714286,429.607299804688,2.22925329208374,0.202601879835129,0.0,21.9593391418457,0.251544624567032,2.6668,0.589024305343628,-0.114660739898682,6.40992593765259,10.4584436416626,-0.0649284422397614,6.68071794509888,0.0,63.097900390625,1.88995587825775,0.0821291282773018,263.40576171875,3.36791276931763,46.4354400634766,-0.018947271630168,4.0,268.586303710938,3.96710610389709,0.1451645642519,0.0,12.4153079986572,149.0,0.842932224273682,5.30953884124756,0.472678422927856,1.24959719181061,1.86800003051758,0.0,1.35759699344635,8.0,20.31,2.0,5.77777767181396,0.102062076330185,93.3568878173828,0.0,9.0,0.0,0.0,3.27272725105286,0.0589255653321743,62.3887252807617,-95.1929931640625,9.16056346893311,0.0320750139653683,0.27266526222229,473.556884765625,59.784,34.8154907226562,0.461833924055099,-11.8696022033691,5.13025808334351,0.0,0.0,37.9730606079102,0.769048452377319,3.59393000602722,0.0143443830311298,0.0,0.104700192809105,1.0,0.400807201862335,2.16240191459656,0.223621264100075,1.51186549663544,0.839972257614136,0.900659799575806
InChI%3D1S%2FC9H9ClO3%2Fc1-6-4-7%2810%292-3-8%286%2913-5-9%2811%2912%2Fh2-4H%2C5H2%2C1H3%2C%28H%2C11%2C12%29,0.356661438941956,0.338086396455765,7.7654128074646,2.0,2.18224716186523,5.0,191.548995018005,0.7338747382164,0.0813190042972565,0.0,0.192691847681999,0.542257070541382,23.0361614227295,-0.335414826869965,2.63957595825195,212.431411743164,647.093994140625,1.37083876132965,16.2801055908203,-257.078338623047,709.633483886719,3.21573662757874,4.58358001708984,23.3384037017822,-38.8473205566406,898.19140625,21.4486885070801,783.669677734375,15.8997507095337,0.0,3.0,0.448745250701904,1.29085695743561,328.040008544922,0.543058514595032,34.9688529968262,5.0242214532872,0.0279010180383921,3.7037037037037,1.27788615226746,507.055877685547,1.70914804935455,1.17599999904633,11.9886016845703,0.2661252617836,0.5,66.6396408081055,0.490194201469421,2.00999999046326,80.6453628540039,0.551254749298096,1.0,4.14336156845093,1.09929239749908,46.5299987792969,-0.667112529277802,13.1328630447388,0.0,-0.100807920098305,0.117851130664349,1.0,2.70435452461243,0.230769230769231,282.805816650391,2.00735235214233,0.339914411306381,0.0,16.0155143737793,0.397545427083969,0.7771,0.440141081809998,-0.165969803929329,2.33481526374817,8.74625778198242,-0.149943381547928,7.61591911315918,0.0,52.6820983886719,1.64910209178925,0.153265193104744,172.928375244141,2.01554727554321,30.3415374755859,-0.0542883723974228,3.0,209.272918701172,2.54828882217407,0.0698297843337059,1.0,10.7519302368164,155.0,0.613013684749603,3.63577699661255,0.496922791004181,0.746724545955658,1.19599997997284,0.0,0.744565606117249,5.0,49.36,2.0,5.02422142028809,0.0680413842201233,81.8625259399414,0.0,7.0,0.5,0.0,3.70370364189148,0.184195280075073,-39.5030326843262,-99.0676574707031,7.83676099777222,0.0240562614053488,0.276756376028061,466.351257324219,47.3775,102.553977966309,0.4567950963974,-14.9701948165894,4.07906436920166,0.666666686534882,0.0,49.599250793457,0.791705548763275,3.02866840362549,0.0611544251441956,1.0,0.0340206921100616,1.0,0.383721798658371,1.7232232093811,0.235899418592453,1.14091062545776,1.38297605514526,0.62962019443512
InChI%3D1S%2FC6H9N3O3%2Fc1-5-7-4-6%289%2811%2912%298%285%292-3-10%2Fh4%2C10H%2C2-3H2%2C1H3,0.239154517650604,0.147138029336929,6.98660278320312,4.0,0.5,0.0,162.083996772766,0.818594038486481,0.0412522330880165,0.0,0.136616215109825,0.853851854801178,15.4033708572388,-0.394438713788986,2.53123903274536,125.06127166748,459.26708984375,1.41892862319946,14.4361352920532,-156.142807006836,516.851135253906,10.6067485809326,3.60151195526123,19.4878330230713,-26.3033905029297,682.207336425781,18.183126449585,559.824462890625,16.5980396270752,0.0,3.0,0.678862869739532,4.51623201370239,493.059997558594,0.847580969333649,16.0169334411621,4.296875,0.0456434115767479,2.25,0.908560276031494,384.848175048828,1.15470051765442,-0.419200003147125,11.9989995956421,0.18140597641468,0.5,102.95484161377,0.507659733295441,1.46000003814697,128.542251586914,0.321137100458145,0.0,6.92217874526978,0.84120112657547,83.870002746582,-0.400949448347092,18.1076908111572,0.0,-0.0675428509712219,0.287863373756409,1.0,2.96512889862061,0.25,318.787231445312,1.96538686752319,0.362298965454102,0.0,14.3527488708496,0.329452127218246,0.6152,0.250682771205902,-0.152269244194031,1.31037068367004,8.34988117218018,-0.0802217423915863,2.94168281555176,0.0,23.6714992523193,1.94407677650452,0.165720090270042,264.371368408203,2.91585254669189,29.1233100891113,-0.0880926698446274,3.0,330.075714111328,3.52169752120972,0.122212737798691,0.0,17.7750358581543,109.0,0.610594511032104,3.4881227016449,0.510644018650055,0.77232825756073,0.017000000923872,0.096225045621395,0.638434052467346,3.0,83.87,3.0,4.296875,0.219821989536285,48.7029418945312,0.0288675129413605,2.0,0.721124768257141,0.0,2.25,0.322104275226593,139.310104370117,-60.8071060180664,6.59691476821899,0.0621898733079433,0.315897226333618,486.218505859375,42.8718,70.6454086303711,0.274059772491455,-10.2433986663818,3.43890500068665,0.0,0.0,44.078426361084,0.833278834819794,2.29596590995789,0.0674257501959801,1.0,0.0653902590274811,2.0,0.40062490105629,1.54469537734985,0.168025285005569,0.978368282318115,0.175728633999825,0.458048462867737
InChI%3D1S%2FC12H11N%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10%2C13H,0.0982943549752235,0.286372244358063,10.4574117660522,1.0,0.5,12.0,158.138996124268,0.978584051132202,0.160375073552132,,0.329983353614807,0.575999677181244,13.3599882125854,-0.258825659751892,1.79457926750183,150.376129150391,739.75537109375,1.54928517341614,14.3323707580566,-120.226112365723,814.43408203125,2.90753531455994,8.08683300018311,17.6647415161133,-10.1660985946655,995.543273925781,14.664740562439,833.965148925781,10.3323707580566,0.0,2.0,0.641494512557983,2.13048624992371,469.010009765625,0.512876570224762,14.003080368042,5.0242214532872,0.0415392965078354,3.0,0.0,588.9658203125,0.0,1.49279999732971,11.8500003814697,0.0214159768074751,0.5,112.864974975586,0.5667325258255,2.67000007629395,90.2358474731445,0.358505457639694,0.0,7.3084511756897,0.40824830532074,12.0299997329712,-0.286626070737839,12.6852769851685,0.0,-0.0242365729063749,0.0,1.0,3.31708836555481,0.142857142857143,410.469818115234,2.63299322128296,0.171608358621597,0.0,20.2041511535645,0.0349450334906578,3.4302,0.833333313465118,-0.0157572962343693,13.9952611923218,8.9124870300293,-0.00495727034285665,8.07939052581787,,63.867000579834,0.813052535057068,0.00224458891898394,269.076690673828,1.27903914451599,39.0207366943359,0.000875008758157492,2.0,215.127532958984,1.57908487319946,0.055080521851778,,17.4237747192383,174.0,0.27578341960907,6.57588672637939,0.541363537311554,0.359116762876511,1.89400005340576,0.0,0.364411175251007,0.0,12.03,1.0,5.02422142028809,0.20412415266037,63.0756912231445,0.0,13.0,0.0,,3.0,0.144337564706802,118.700561523438,-50.4291839599609,7.27350282669067,0.0641500279307365,0.323671162128448,335.353637695312,56.1667,8.98299121856689,0.16666667163372,-4.26419878005981,4.32136726379395,0.0,0.0,27.5898723602295,0.838659644126892,2.85705089569092,0.0320750139653683,,0.0,,0.441189110279083,1.83625328540802,0.16748870909214,1.20963907241821,2.2284517288208,0.78468644618988
InChI%3D1S%2FC15H15F3N2O2%2Fc1-10%282%2914%2821%2C12-7-19-9-20-8-12%2911-3-5-13%286-4-11%2922-15%2816%2C17%2918%2Fh3-10%2C21H%2C1-2H3,0.527591347694397,0.637437582015991,13.0922145843506,4.0,2.06597971916199,5.0,297.170991897583,0.831669867038727,0.396878212690353,0.0,0.233288764953613,1.40629076957703,28.7750473022461,-0.379818111658096,3.2494969367981,260.834838867188,1252.76318359375,1.19763028621674,26.4063720703125,-485.3544921875,1471.69982910156,3.22568249702454,8.43642711639404,44.1802024841309,-41.677490234375,2098.84814453125,40.0668334960938,2240.36352539062,41.258659362793,0.0,5.0,0.523415267467499,0.0,982.070007324219,0.973957180976868,19.0004119873047,7.26643598615917,0.0320662334561348,4.52111838191553,3.09901428222656,1944.37084960938,2.95115184783936,1.15470004081726,11.9883451461792,0.168330132961273,0.454545468091965,156.782424926758,0.414275199174881,2.33999991416931,291.736541748047,0.476584702730179,3.0,9.60503482818604,2.93835973739624,,-0.886816143989563,24.5631046295166,0.5,-0.076151080429554,0.859116733074188,0.833333313465118,5.85534620285034,0.217391304347826,455.172943115234,4.32631683349609,0.248200699687004,0.0,43.8479537963867,0.653690218925476,3.2671,1.97535037994385,-0.525439500808716,6.34884834289551,11.8075685501099,0.308598518371582,10.6419916152954,0.0,79.899299621582,4.7294659614563,-0.154609903693199,286.465209960938,7.45267724990845,95.4924240112305,0.0988806784152985,5.0,533.046813964844,9.36271095275879,0.107414275407791,1.0,17.5498504638672,385.0,1.84633195400238,2.939124584198,0.329367607831955,2.38298010826111,1.23099994659424,0.0,2.44432497024536,5.0,55.24,3.0,7.2664361000061,0.185395404696465,142.754913330078,0.0,7.0,0.0,0.0,4.5211181640625,0.151623263955116,25.6303730010986,-265.634552001953,12.0025844573975,0.0470227859914303,0.2040825933218,1018.40130615234,72.9938,92.1270904541016,0.895032346248627,-22.8100929260254,6.57369041442871,0.16666667163372,0.0432965308427811,59.2273406982422,0.705787122249603,5.12041521072388,0.0348516218364239,1.0,0.329681694507599,0.0,0.453987419605255,3.36422657966614,0.28351229429245,2.23994755744934,1.33333206176758,1.30102252960205
InChI%3D1S%2FC19H15ClF3NO7%2Fc1-3-29-17%2825%2910%282%2930-18%2826%2913-9-12%285-6-15%2813%2924%2827%2928%2931-16-7-4-11%288-14%2816%2920%2919%2821%2C22%2923%2Fh4-10H%2C3H2%2C1-2H3,,0.777594983577728,21.7915096282959,7.0,9.3962516784668,10.0,446.655987739563,0.904155671596527,0.443226933479309,0.0,0.175500527024269,0.885729372501373,49.0001564025879,,8.54271507263184,423.451599121094,1589.17639160156,1.48115980625153,39.6269454956055,-1085.02868652344,1839.18078613281,1.12679159641266,12.3630647659302,63.1279373168945,-60.4481964111328,2525.96899414062,66.6871337890625,2651.53637695312,63.9287872314453,0.608220219612122,10.0,0.457490056753159,0.0,1279.11999511719,1.1722469329834,,11.9234404536862,0.022035600617528,7.77520661157025,1.93160939216614,2416.46362304688,3.16729068756104,1.70640003681183,,0.0958443135023117,0.5,278.723602294922,0.63432914018631,2.23000001907349,714.185791015625,0.542509973049164,4.0,13.4250831604004,3.42946171760559,95.9700012207031,-1.39009714126587,29.3471050262451,0.0,-0.0774439126253128,1.0053938627243,1.0,7.77300024032593,0.3125,705.731140136719,6.14559459686279,0.392020344734192,0.0,124.131004333496,1.03641247749329,5.6909,2.85740089416504,-0.550332844257355,4.66856145858765,,0.0694577023386955,16.4123420715332,0.0,48.3504981994629,6.19452524185181,0.209552764892578,357.090026855469,7.90492391586304,239.468048095703,-0.626372039318085,10.0,914.987487792969,11.1113996505737,0.0406456179916859,3.0,17.1997032165527,762.0,1.51725947856903,,0.493486195802689,1.67334222793579,5.99100017547607,0.0,1.86251759529114,10.0,107.65,4.0,11.9234399795532,0.136082768440247,330.521575927734,0.0,19.0,1.19526600837708,0.0,7.77520656585693,0.276854544878006,-66.361572265625,-846.909973144531,16.8212966918945,0.0481125228106976,0.122495017945766,2000.01611328125,103.3025,74.8104782104492,0.889720618724823,-47.1823310852051,9.02097034454346,2.51648926734924,0.0134987309575081,77.6478958129883,0.55581122636795,6.38787317276001,0.0817336365580559,0.0,0.135352298617363,4.0,0.35334450006485,4.06935214996338,0.162629261612892,2.53913331031799,2.91180086135864,1.62229692935944
InChI%3D1S%2FC15H21ClN2O2%2Fc1-4-12-7-6-8-13%285-2%2915%2812%2918%2814%2820%299-16%2910-17-11%283%2919%2Fh6-8H%2C4-5%2C9-10H2%2C1-3H3%2C%28H%2C17%2C19%29,0.229480162262917,0.855477392673492,12.754340171814,4.0,3.83851957321167,4.0,275.629993438721,0.885058879852295,0.431746631860733,0.0,0.122864916920662,2.60131573677063,29.98166847229,-0.348503530025482,3.81216287612915,181.801086425781,1321.29565429688,1.37313032150269,23.4468479156494,-299.309936523438,1494.05212402344,5.48474073410034,6.34086132049561,30.7475833892822,-27.6821193695068,1992.24499511719,37.5338325500488,2230.36181640625,38.8378868103027,0.0,7.0,0.690899908542633,0.0262894779443741,1301.05004882812,1.13746953010559,34.9693794250488,9.10650887573964,0.034699372947216,5.05785123966942,4.80700492858887,2142.54907226562,3.88363003730774,-0.0895000025629997,11.9985160827637,0.114941135048866,0.5,239.006546020508,0.449604868888855,2.55999994277954,393.490661621094,0.309100091457367,1.0,12.0037317276001,1.22447776794434,52.9000015258789,-0.508889853954315,27.635347366333,0.0,-0.0470654256641865,0.252697080373764,1.0,4.74863576889038,0.35,520.558410644531,3.86135578155518,0.298891425132751,1.0,50.5836181640625,0.409995883703232,3.3171,1.44309151172638,-0.245332449674606,6.41050004959106,11.6213827133179,0.0765572935342789,12.629186630249,0.0,84.361099243164,2.72371745109558,-0.0837278589606285,406.361419677734,4.30002307891846,126.217987060547,0.0726971924304962,7.0,669.016906738281,6.31482791900635,0.203955352306366,0.0,20.4088706970215,250.0,1.15082085132599,4.76233863830566,0.494679778814316,1.68115019798279,2.32999992370605,0.0,2.12728905677795,10.0,52.9,4.0,9.1065092086792,0.0680413842201233,106.928581237793,0.0,9.0,0.16666667163372,0.0,5.05785131454468,0.135508760809898,224.560317993164,-176.042877197266,12.944260597229,0.0240562614053488,0.21163721382618,968.326843261719,84.0088,67.6040649414062,0.503632485866547,-16.2815837860107,7.25168132781982,0.0,0.0,48.0909881591797,0.759106457233429,4.7013840675354,0.0447789765894413,1.0,0.088229551911354,1.0,0.428845643997192,3.31982350349426,0.139324873685837,2.22554612159729,0.00801024958491325,1.53277182579041
InChI%3D1S%2FC20H33NO%2Fc1-15%2812-21-13-16%282%2922-17%283%2914-21%2911-18-7-9-19%2810-8-18%2920%284%2C5%296%2Fh7-10%2C15-17H%2C11-14H2%2C1-6H3,0.149121731519699,1.47243213653564,18.1547756195068,1.0,2.26617860794067,4.0,270.225993156433,0.97889119386673,0.670631468296051,0.0,0.25205934047699,2.04397583007812,23.1344566345215,-0.37221884727478,3.95776700973511,101.726600646973,1496.17565917969,1.4489027261734,24.1627388000488,-138.417251586914,1686.07958984375,2.33673286437988,12.1530332565308,34.8269233703613,-9.42186069488525,2265.7607421875,31.2182064056396,2097.32397460938,27.4982776641846,0.0,5.0,0.842558741569519,0.0,2674.02001953125,1.14645206928253,15.9949197769165,7.71349862258953,0.0273249056190252,5.8641975308642,9.43001556396484,1786.96923828125,6.22988271713257,2.9186999797821,11.8999996185303,0.0211088359355927,0.5,351.748504638672,0.584900319576263,3.44000005722046,478.616821289062,0.15744124352932,0.0,11.4075059890747,2.78463673591614,,-0.214227005839348,39.9718322753906,0.0,-0.0145821189507842,0.433012694120407,1.0,5.80455541610718,0.217391304347826,632.485290527344,3.79928302764893,0.218001425266266,0.0,81.0289611816406,0.264223396778107,4.424,1.50770425796509,-0.130347147583961,8.41708183288574,9.75278091430664,-0.121629260480404,12.8862371444702,0.0,98.17919921875,3.62196135520935,0.126548826694489,544.397644042969,5.3214430809021,197.496673583984,0.00228667072951794,5.0,740.750427246094,5.6287989616394,0.112586118280888,1.0,17.6552829742432,437.0,2.30519413948059,5.92794799804688,0.467212945222855,3.06555581092834,4.89300012588501,0.0,2.87281560897827,4.0,13.67,2.0,7.71349859237671,0.151374712586403,65.7280197143555,0.0,6.0,0.0,0.0,5.86419773101807,0.284787505865097,442.671020507812,-89.4347457885742,15.2253408432007,0.0582068078219891,0.273504912853241,879.167724609375,93.2019,13.6389303207397,2.23130679130554,-6.08769226074219,8.71005249023438,0.0,0.25,27.0771427154541,0.743933439254761,8.23207950592041,0.11590538173914,0.0,0.25,0.0,0.39678943157196,4.46923065185547,0.0502289459109306,3.48198366165161,8.51880931854248,2.00089740753174
InChI%3D1S%2FC9H13ClN6%2Fc1-4-12-7-13-6%2810%2914-8%2815-7%2916-9%282%2C3%295-11%2Fh4H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29,0.306596636772156,0.592630088329315,12.5400676727295,5.0,1.5,0.0,227.593996047974,0.831329107284546,0.202830567955971,0.0,0.26681786775589,0.915846347808838,25.8726825714111,-0.43003985285759,2.9829797744751,202.9072265625,965.335815429688,1.3049932718277,19.7797756195068,-356.867340087891,1074.71862792969,0.571549355983734,8.6412410736084,30.235387802124,-33.5024337768555,1408.24291992188,26.4238719940186,1277.3681640625,28.9024486541748,0.0,3.0,0.628032147884369,0.0366172306239605,849.070007324219,1.10456466674805,34.9688529968262,6.07438016528926,0.0320539027452469,4.81663516068053,1.76032793521881,1132.23889160156,2.13413596153259,1.18340003490448,11.9530153274536,0.168670877814293,0.444444447755814,186.881362915039,0.512208342552185,1.67999994754791,328.681518554688,0.371967881917953,1.0,9.53816986083984,1.90403020381927,84.2699966430664,-0.654206335544586,23.6245193481445,4.0612621307373,-0.0614163875579834,0.0,0.800000011920929,3.63458013534546,0.1875,453.487243652344,2.39183592796326,0.237875878810883,1.0,36.4226493835449,0.453916877508163,1.09278,0.875172734260559,-0.367327481508255,0.142857149243355,9.8947925567627,0.345910608768463,1.63976919651031,0.0,60.3378982543945,2.39749026298523,-0.34142929315567,342.589416503906,3.52449893951416,72.5701675415039,0.174907580018044,3.0,602.536315917969,3.75694727897644,0.0730336010456085,0.0,17.4852962493896,214.0,0.906518399715424,4.4922046661377,0.411995202302933,1.14153695106506,0.544000029563904,0.0,1.02706205844879,6.0,89.75,6.0,6.07438039779663,0.0680413842201233,110.685203552246,0.0,4.0,0.0,0.0,4.81663513183594,0.164266422390938,139.682174682617,-194.669937133789,10.3901281356812,0.020833333954215,0.154014647006989,959.403625488281,60.8114,92.009391784668,1.04173386096954,-18.275463104248,5.5685772895813,0.0,0.125,50.9877281188965,0.893857419490814,4.39143514633179,0.0433563962578773,0.0,0.0,0.0,0.380789697170258,2.19350671768188,0.0970291495323181,1.47768831253052,1.40043556690216,0.838843941688538
InChI%3D1S%2FC8H19O2PS3%2Fc1-4-9-11%2812%2C10-5-2%2914-8-7-13-6-3%2Fh4-8H2%2C1-3H3,0.218535959720612,3.33097386360168,12.0996952056885,5.0,0.0,0.0,255.261001586914,0.97045648097992,2.44410824775696,1.0,0.246063187718391,1.25076270103455,39.5826110839844,-0.322622269392014,2.84598112106323,127.758331298828,974.154479980469,1.2254239320755,35.3139381408691,-130.94319152832,1006.76617431641,1.76052153110504,8.00295066833496,42.5378799438477,-13.7203035354614,1127.88452148438,35.5415649414062,1077.31469726562,32.2320251464844,0.5,9.0,0.757568061351776,0.234853640198708,842.059997558594,0.7764533162117,31.9740753173828,8.32,0.0222855880856514,7.04,3.74262523651123,950.176452636719,0.0,3.03049993515015,11.8900003433228,0.0295435115695,0.444444447755814,210.387802124023,0.522893488407135,1.67999994754791,215.632507324219,0.242431908845901,0.0,6.18903589248657,0.926776707172394,110.959999084473,-0.248475432395935,33.2229347229004,0.0,-0.0260354019701481,0.0,0.800000011920929,2.56066012382507,0.692307692307692,511.417419433594,1.24371838569641,0.235210984945297,0.0,36.3456878662109,0.323851048946381,4.4208,0.426776707172394,-0.247291162610054,2.70865225791931,11.9415817260742,0.179173097014427,0.0,1.0,72.6323013305664,1.43566012382507,-0.112907931208611,399.228118896484,2.31066012382507,76.9330673217773,-0.0558276250958443,9.0,409.180358886719,1.73299515247345,0.103371426463127,2.0,11.7442026138306,180.0,3.29203581809998,5.27461910247803,0.452330201864243,4.97582483291626,4.16699981689453,0.0,4.23374700546265,14.0,110.96,2.0,8.31999969482422,0.0,67.326904296875,0.0,4.0,0.0,2.0,7.03999996185303,0.0,271.469787597656,-69.0052871704102,12.3679056167603,0.0,0.313799649477005,540.12353515625,73.22,15.5690298080444,2.19089031219482,-7.23041439056396,10.1785268783569,0.0,0.335410207509995,25.464506149292,0.867984473705292,10.1363344192505,0.0,0.0,0.0,0.0,0.250200182199478,7.97686815261841,0.213161021471024,6.64284229278564,9.18393039703369,4.66457080841064
InChI%3D1S%2FC22H28N2O2%2Fc1-7-17-8-10-18%2811-9-17%2920%2825%2923-24%2822%284%2C5%296%2921%2826%2919-13-15%282%2912-16%283%2914-19%2Fh8-14H%2C7H2%2C1-6H3%2C%28H%2C23%2C25%29,0.248395070433617,0.956637501716614,19.0031967163086,4.0,5.44454526901245,7.0,324.253992080688,0.90546864271164,0.519754827022552,0.0,0.216357246041298,1.30320107936859,28.268913269043,-0.274420499801636,5.88362455368042,197.617584228516,1784.17150878906,1.25088465213776,28.5227279663086,-338.504058837891,2045.17150878906,6.3624439239502,11.8163709640503,42.1005973815918,-25.1926612854004,2818.32080078125,44.2630577087402,2852.98608398438,43.6504020690918,0.0,7.0,0.72380530834198,0.0,2375.0400390625,1.23982405662537,15.9959278106689,9.46745562130178,0.0252156481146812,6.26086956521739,8.10866832733154,2658.35693359375,8.51844596862793,3.18370008468628,11.8900003433228,0.0945313721895218,0.461538463830948,370.546234130859,0.426429450511932,3.44000005722046,634.717834472656,0.276194661855698,0.0,12.9089450836182,3.02683663368225,49.4099998474121,-0.473100662231445,33.8457946777344,0.0,-0.0352098122239113,0.635670959949493,0.857142865657806,6.88243389129639,0.259259259259259,647.863830566406,5.08890151977539,0.309612363576889,0.0,92.5897445678711,0.322954326868057,4.4515,2.118647813797,-0.165367648005486,6.37440586090088,11.1663112640381,-0.0327445641160011,15.0729455947876,0.0,111.549301147461,4.82877683639526,0.110887348651886,517.883544921875,7.25403928756714,202.195510864258,-0.0961226150393486,7.0,887.095520019531,9.82612419128418,0.0685779899358749,0.0,18.0418243408203,538.0,2.01114583015442,5.47070503234863,0.447988629341125,2.46924066543579,4.5460000038147,0.0,2.59573793411255,10.0,49.41,4.0,9.46745586395264,0.151374712586403,141.395614624023,0.0,18.0,0.200000002980232,0.0,6.26086950302124,0.282404571771622,320.265930175781,-242.20002746582,16.5122680664062,0.0518340393900871,0.159692153334618,1225.599609375,105.1247,67.6373062133789,1.94124782085419,-18.0253772735596,8.94314670562744,0.0,0.223606795072556,43.2344856262207,0.85377824306488,7.67917585372925,0.0936713963747025,0.0,0.211340844631195,2.0,0.376466512680054,4.18027067184448,0.14474929869175,2.80828523635864,10.1359453201294,1.67344260215759
InChI%3D1S%2FC16H16N2O4%2Fc1-11-5-3-6-12%289-11%2918-16%2820%2922-14-8-4-7-13%2810-14%2917-15%2819%2921-2%2Fh3-10H%2C1-2H3%2C%28H%2C17%2C19%29%28H%2C18%2C20%29,0.289083033800125,0.466844409704208,21.5654792785645,6.0,3.73671245574951,11.0,284.18599319458,0.734892845153809,0.20211660861969,0.0,0.300397247076035,1.43154191970825,25.8178520202637,-0.326284646987915,4.30783033370972,263.431060791016,1154.24035644531,1.48651623725891,25.6572933197021,-539.052429199219,1284.85107421875,4.36145496368408,15.8261070251465,35.0917282104492,-39.6483688354492,1644.35974121094,31.6538467407227,1527.96325683594,31.0374031066895,0.16666667163372,5.0,0.65492969751358,1.16738629341125,1059.06005859375,1.34016633033752,15.9979343414307,9.33333333333333,0.0575605146586895,6.57439446366782,2.5582754611969,1334.82568359375,2.26892328262329,2.95350003242493,11.8500003814697,0.265107154846191,0.461538463830948,381.692443847656,0.626081883907318,2.55999994277954,781.047729492188,0.345070272684097,0.0,33.546215057373,1.47839784622192,83.6399993896484,-0.706108689308167,23.9633121490479,0.16666667163372,-0.051935687661171,0.0,0.857142865657806,5.57426118850708,0.217391304347826,561.026611328125,4.02635478973389,0.19975583255291,2.0,96.9987564086914,0.545628249645233,3.8114,1.54020321369171,-0.497649103403091,7.10457706451416,8.80599117279053,0.366854697465897,13.166036605835,0.0,89.5288009643555,2.29958534240723,-0.153221637010574,499.981719970703,3.61627101898193,216.161285400391,0.0559629127383232,5.0,1023.10009765625,4.28365278244019,0.0663811787962914,2.0,43.9424324035645,458.0,0.624083042144775,4.53971672058105,0.527881264686584,0.76693993806839,2.20799994468689,0.0,0.719523727893829,5.0,83.64,5.0,9.33333301544189,0.16666667163372,201.106643676758,0.0,20.0,0.125,0.0,6.57439422607422,0.260110020637512,236.550659179688,-411.519500732422,12.2241535186768,0.0555555559694767,0.159031242132187,1562.15246582031,84.7056,202.386184692383,0.465428918600082,-30.2680702209473,6.50499582290649,1.07456994056702,0.0,83.5907974243164,0.561480224132538,4.43130016326904,0.0639632046222687,2.0,0.0,0.0,0.332552999258041,2.66047382354736,0.141142174601555,1.70881175994873,8.72316265106201,1.01166152954102
InChI%3D1S%2FC18H34O6%2Fc1-2-3-4-5-6-7-8-9-10-11-16%2821%2923-13-15%2820%2918-17%2822%2914%2819%2912-24-18%2Fh14-15%2C17-20%2C22H%2C2-13H2%2C1H3,0.261631101369858,0.997945070266724,16.8992557525635,6.0,4.32963848114014,0.0,312.19199180603,0.744976818561554,0.587372779846191,0.0,0.145529896020889,1.60028231143951,28.6468143463135,-0.410298824310303,6.38675928115845,138.545135498047,1141.31848144531,1.49873542785645,26.6567363739014,-366.7412109375,1210.48791503906,3.71767044067383,8.9122142791748,33.7595710754395,-44.1357765197754,1412.19299316406,34.8611717224121,1283.88391113281,28.5377655029297,0.25,14.0,0.783356130123138,0.425682753324509,2812.06005859375,2.07361268997192,16.0008010864258,13.2366230677765,0.0387846678495407,9.33333333333333,2.17354345321655,1117.74987792969,0.3462053835392,-4.31040000915527,11.9961633682251,0.255023151636124,0.5,320.367889404297,0.473623961210251,2.77999997138977,848.042053222656,0.216643884778023,0.0,15.861701965332,1.08861255645752,,-0.573475480079651,41.9590377807617,0.0,-0.0690153837203979,0.310875236988068,1.0,4.915123462677,0.583333333333333,476.417419433594,3.22343325614929,0.377931386232376,0.0,81.4028472900391,0.743053436279297,1.932,1.21033012866974,-0.245461076498032,15.9496774673462,8.33044624328613,-0.271552234888077,9.08999061584473,0.0,75.2729034423828,2.53502583503723,0.193350970745087,500.961212158203,3.32755064964294,189.390441894531,-0.0558077432215214,14.0,1326.08850097656,3.77308320999146,0.0946954265236855,2.0,24.8030414581299,669.0,0.792209148406982,4.39896202087402,0.559272825717926,0.89466255903244,4.0939998626709,0.096225045621395,0.784355700016022,17.0,96.22,6.0,13.2366228103638,0.248005643486977,88.6004943847656,0.0555555559694767,3.0,1.18558597564697,0.0,9.33333301544189,0.302175432443619,362.416076660156,-234.533325195312,14.8610677719116,0.0817654132843018,0.146346852183342,1692.82971191406,90.5634,163.088928222656,0.434377789497375,-28.2251091003418,9.37305450439453,2.21305155754089,0.0,68.9388198852539,0.650904417037964,6.68467664718628,0.0768247172236443,3.0,0.0723477751016617,1.0,0.465838640928268,4.4690318107605,0.0988014787435532,2.88983988761902,18.5795478820801,1.71282732486725
InChI%3D1S%2FC11H20N3O3PS%2Fc1-6-14%287-2%2911-12-9%283%298-10%2813-11%2917-18%2819%2C15-4%2916-5%2Fh8H%2C6-7H2%2C1-5H3,0.298849940299988,0.83614456653595,14.634181022644,7.0,1.5,2.0,285.179997444153,0.92118352651596,0.445198744535446,1.0,0.201599389314651,0.939305245876312,34.1815376281738,-0.342661321163177,4.88315916061401,62.9050827026367,1015.37396240234,1.26058852672577,34.3502769470215,-104.388458251953,1133.75158691406,1.27758777141571,8.81171607971191,43.5255737304688,-11.7561655044556,1499.4052734375,40.5818176269531,1531.06286621094,37.3143653869629,1.5,7.0,0.886013746261597,0.43641072511673,1179.07995605469,1.47030425071716,31.9720726013184,7.69526627218935,0.0366974174976349,4.79500520291363,3.64281344413757,1379.46630859375,3.75565123558044,1.38069999217987,11.9962329864502,0.0788164883852005,0.444444447755814,269.840545654297,0.454658508300781,1.78999996185303,447.78955078125,0.113986223936081,0.0,11.1764078140259,1.75290930271149,,-0.18915556371212,38.5721397399902,0.5,-0.0213025864213705,0.0833333358168602,0.800000011920929,4.54519605636597,0.368421052631579,508.369537353516,2.89340496063232,0.333681762218475,0.0,55.8926811218262,0.630293905735016,3.1779,1.25327742099762,-0.594588577747345,0.814325273036957,9.34142971038818,0.608582198619843,3.68766331672668,1.0,79.1855010986328,3.41257619857788,-0.537240862846375,488.960571289062,4.89655876159668,110.944236755371,0.347196072340012,7.0,811.410461425781,4.87741279602051,0.0641857087612152,3.0,20.2520446777344,263.0,2.28161263465881,4.77784252166748,0.40235498547554,2.32910418510437,2.46000003814697,0.0,1.64248430728912,7.0,98.61,5.0,7.69526624679565,0.0680413842201233,34.7151565551758,0.0,12.0,0.0,0.0,4.79500532150269,0.155437618494034,426.055480957031,-57.6084060668945,13.6243352890015,0.0144337564706802,0.187702551484108,915.798889160156,79.487,43.4961128234863,1.25119972229004,-6.48782396316528,8.54900932312012,0.0,0.111803397536278,32.0082092285156,0.89745569229126,6.87244129180908,0.0267812851816416,0.0,0.0223606806248426,0.0,0.403575003147125,4.94086647033691,0.180045887827873,2.33266687393188,1.90633249282837,1.20343482494354
InChI%3D1S%2FC18H19NO4%2Fc1-13-8-4-7-11-16%2813%2923-12-14-9-5-6-10-15%2814%2917%2819-22-3%2918%2820%2921-2%2Fh4-11H%2C12H2%2C1-3H3,0.31454211473465,0.665517926216125,17.1215190887451,5.0,5.47991371154785,10.0,294.200992584229,0.879064977169037,0.344294875860214,0.0,0.238976418972015,1.63494598865509,26.4578647613525,-0.340600073337555,4.32388114929199,207.32307434082,1334.69348144531,1.36273396015167,26.7122039794922,-373.941162109375,1515.681640625,3.44076871871948,11.1626920700073,34.2655754089355,-29.2572002410889,1997.73583984375,38.7602233886719,2086.00805664062,37.5345993041992,0.57235711812973,7.0,0.684419333934784,0.460577875375748,1343.05004882812,1.23446249961853,15.9979343414307,10.0957336108221,0.0387697219848633,5.5,4.28682947158813,1840.04382324219,4.02949333190918,2.12649989128113,11.8900003433228,0.120935052633286,0.454545468091965,295.390655517578,0.521284759044647,2.89000010490417,532.785522460938,0.315580666065216,0.0,16.7327442169189,1.07690334320068,57.1199989318848,-0.569201469421387,27.4769325256348,0.0,-0.0445343889296055,0.337673097848892,0.833333313465118,5.96514940261841,0.291666666666667,577.50830078125,4.72638130187988,0.252540737390518,1.0,73.5858688354492,0.578891754150391,3.0975,1.79787456989288,-0.294385731220245,10.1172294616699,10.5127058029175,-0.0486200042068958,15.3845834732056,0.0,95.3197021484375,2.97524309158325,0.0168191213160753,449.634399414062,4.52046394348145,169.61994934082,0.157876223325729,7.0,810.989379882812,6.08625745773315,0.0954907089471817,3.0,25.4700565338135,411.0,1.01732325553894,4.59053373336792,0.448912113904953,1.24769401550293,2.63499999046326,0.0,1.31916546821594,8.0,57.12,2.0,10.0957336425781,0.16666667163372,136.202438354492,0.0,12.0,0.0,0.0,5.5,0.249296993017197,242.311325073242,-245.663421630859,13.4061155319214,0.0555555559694767,0.188778638839722,1184.93054199219,87.515,79.4491882324219,0.475062340497971,-19.2207355499268,7.13197898864746,0.825481832027435,0.0,54.7272567749023,0.866226971149445,4.82536888122559,0.072648748755455,0.0,0.0889378562569618,1.0,0.39253705739975,3.31057119369507,0.174349933862686,2.13542151451111,4.52200222015381,1.35917091369629
InChI%3D1S%2FC10H17N2O4PS%2Fc1-5-8-11-9%2815-6-2%297-10%2812-8%2916-17%2818%2C13-3%2914-4%2Fh7H%2C5-6H2%2C1-4H3,0.29884734749794,0.719065248966217,16.0975494384766,7.0,1.5,1.0,275.160997390747,0.838331282138824,0.464937120676041,1.0,0.253592699766159,0.762769997119904,33.596019744873,-0.342685520648956,4.52596807479858,87.0427169799805,857.450866699219,1.24529469013214,33.5159034729004,-149.694702148438,950.493347167969,2.12569069862366,10.8088111877441,41.8570594787598,-21.48388671875,1238.54113769531,37.747444152832,1234.77587890625,34.4238166809082,1.85314404964447,7.0,0.862581014633179,5.18723297119141,919.080017089844,1.48345327377319,31.9720726013184,7.55555555555556,0.0498793385922909,4.89795918367347,2.711505651474,1109.45446777344,2.74012207984924,1.26979994773865,11.9962491989136,0.161668702960014,0.444444447755814,346.075805664062,0.504963099956512,1.67999994754791,595.175720214844,0.137419000267982,0.0,20.0120716094971,1.5391491651535,,-0.236331030726433,35.2285194396973,0.5,-0.0339177623391151,0.0,0.800000011920929,4.08243799209595,0.388888888888889,531.008361816406,2.90325617790222,0.281158834695816,0.0,60.617244720459,0.703675091266632,2.9844,1.38643383979797,-0.591143727302551,0.766309440135956,9.02012825012207,0.528901278972626,4.24583578109741,1.0,72.6631011962891,2.90192127227783,-0.573728740215302,546.368408203125,4.04285860061646,114.029762268066,0.481390625238419,7.0,939.6357421875,4.09754276275635,0.0473842322826385,4.0,31.5941276550293,246.0,1.9523332118988,4.76314830780029,0.485284626483917,1.91710007190704,2.20700001716614,0.0,1.33725345134735,7.0,104.6,4.0,7.55555534362793,0.0680413842201233,55.1338233947754,0.0,12.0,0.0,0.0,4.89795923233032,0.144337564706802,459.32568359375,-94.8182830810547,12.5853700637817,0.0144337564706802,0.191387161612511,1089.33044433594,71.736,102.402755737305,1.08899080753326,-13.60813331604,8.03929996490479,0.0,0.111803397536278,53.0780143737793,0.843222796916962,6.29980134963989,0.0219913199543953,0.0,0.0,0.0,0.255046963691711,4.40957260131836,0.173730850219727,1.98976969718933,1.61239206790924,1.13548028469086
InChI%3D1S%2FC9H20N2O2%2Fc1-4-8-13-9%2812%2910-6-5-7-11%282%293%2Fh4-8H2%2C1-3H3%2C%28H%2C10%2C12%29,0.278313815593719,0.178874224424362,8.62469005584717,3.0,0.0,0.0,168.110996246338,0.719392836093903,0.109655700623989,0.0,0.170394524931908,1.16387748718262,15.2689142227173,-0.345571339130402,2.62644910812378,93.3215637207031,523.710693359375,1.66057872772217,13.8272018432617,-123.908020019531,512.449829101562,9.39613342285156,4.83436298370361,15.5458631515503,-21.7892780303955,528.439453125,12.8269233703613,451.86328125,11.5224494934082,0.0,7.0,0.788445711135864,3.40101504325867,868.039978027344,1.04686141014099,15.9959211349487,8.59171597633136,0.0532527789473534,9.91735537190083,3.59689259529114,403.141906738281,0.57235711812973,-0.0271000005304813,11.9934511184692,0.280607163906097,0.5,153.423599243164,0.609601199626923,2.00999999046326,203.708694458008,0.211554288864136,0.0,10.3624544143677,0.696923434734344,45.060001373291,-0.280891925096512,27.0801391601562,0.0,-0.0493949614465237,0.0,1.0,1.74230861663818,0.583333333333333,317.341064453125,1.17099392414093,0.304526805877686,1.0,21.3806800842285,0.393509566783905,-0.1384,0.449384272098541,-0.335675239562988,3.38654565811157,7.37027931213379,0.228386446833611,1.85053586959839,0.0,49.7907981872559,0.696923434734344,-0.133871123194695,347.801940917969,0.637136876583099,44.7833671569824,0.0970382541418076,7.0,461.795166015625,0.594861328601837,0.134947180747986,1.0,23.4910526275635,182.0,0.281341820955276,4.677161693573,0.565970718860626,0.219351127743721,1.29100000858307,0.0,0.134424358606339,13.0,46.26,4.0,8.59171581268311,0.0,41.1663360595703,0.0,4.0,0.0,0.0,9.91735553741455,0.0,254.480361938477,-54.6587409973145,8.7854232788086,0.0,0.245303764939308,585.703186035156,55.6025,123.782417297363,0.357052594423294,-9.61176204681396,4.67400217056274,0.5,0.0,45.280330657959,0.698651790618896,3.16958594322205,0.0,1.0,0.0,0.0,0.485006809234619,1.44579076766968,0.20958337187767,0.800631642341614,0.00073441001586616,0.400243699550629
InChI%3D1S%2FC10H14N2O5%2Fc13-4-3-11-9-2-1-8%2812%2815%2916%297-10%289%2917-6-5-14%2Fh1-2%2C7%2C11%2C13-14H%2C3-6H2,,0.435204148292542,10.8261270523071,6.0,1.65096366405487,6.0,228.11899471283,0.822247743606567,0.221346363425255,0.0,0.226235896348953,0.397190660238266,21.592321395874,,3.55454921722412,172.856231689453,775.865539550781,1.29712557792664,19.9338550567627,-299.991546630859,862.949523925781,4.29743099212646,6.87438726425171,24.9300384521484,-34.5983200073242,1093.81860351562,26.5386943817139,1106.29382324219,23.7087574005127,0.0,7.0,0.626160085201263,0.36375880241394,689.070007324219,1.08669912815094,,8.16326530612245,0.0457745790481567,5.0176,0.0,916.787536621094,0.0,-0.706900000572205,,0.177752241492271,0.444444447755814,133.870254516602,0.476447463035583,1.78999996185303,232.331481933594,0.373839944601059,0.0,9.78640270233154,0.833333313465118,95.8600006103516,-0.648798227310181,19.1368980407715,0.0,-0.0748265385627747,0.25,0.800000011920929,3.63474225997925,0.411764705882353,380.191192626953,3.00026297569275,0.328330636024475,0.0,28.5776252746582,0.452524721622467,0.8933,1.35029375553131,-0.139201119542122,6.00548505783081,,-0.201133251190186,8.56995296478271,0.0,16.86669921875,1.93999695777893,0.185668662190437,289.524108886719,2.45438528060913,49.109245300293,-0.107257477939129,7.0,502.468322753906,3.31736469268799,0.0366881564259529,1.0,21.1652641296387,233.0,0.482632219791412,,0.552410304546356,0.582626938819885,0.526000022888184,0.0,0.633457720279694,4.0,107.54,3.0,8.16326522827148,0.0680413842201233,79.9253234863281,0.0,11.0,0.890898704528809,0.0,5.01760005950928,0.135508760809898,116.667869567871,-138.710189819336,9.12686347961426,0.0240562614053488,0.227257460355759,802.459838867188,63.4203,82.1891479492188,0.242897748947144,-15.9975833892822,5.05559730529785,0.868474066257477,0.0,55.7635841369629,0.902887105941772,3.16002416610718,0.0326073467731476,2.0,0.0294329449534416,2.0,0.268267840147018,1.95212042331696,0.12090639770031,1.23621702194214,0.499707609415054,0.820564091205597
InChI%3D1S%2FC7H5NS2%2Fc9-7-8-5-3-1-2-4-6%285%2910-7%2Fh1-4H%2C%28H%2C8%2C9%29,0.147934168577194,0.654291927814484,7.10426092147827,2.0,1.88988161087036,6.0,162.218000411987,0.980527818202972,0.352175980806351,0.0,0.280033528804779,0.407186955213547,22.6154937744141,-0.266621947288513,1.67641198635101,169.564849853516,866.390319824219,1.16466879844666,16.3417263031006,-122.133926391602,995.009033203125,2.80147123336792,5.0206618309021,29.0266227722168,-17.6567611694336,1327.99682617188,18.011510848999,900.668579101562,11.1755409240723,0.0,0.0,0.563789069652557,3.86572766304016,234.029998779297,0.406085163354874,31.9733581542969,2.56,0.0445819497108459,1.2409972299169,0.0,452.048797607422,0.0,1.90939998626709,11.9985752105713,0.0194722004234791,0.400000005960464,85.191276550293,0.560336410999298,1.89999997615814,61.3614540100098,0.436210960149765,0.0,6.73655033111572,0.622008442878723,79.9300003051758,-0.314193397760391,12.8724489212036,0.0,-0.0454225800931454,0.0833333358168602,0.666666686534882,3.03493571281433,0.0,381.15283203125,2.23297476768494,0.235972762107849,0.0,11.1436586380005,0.0788777470588684,2.585,0.679283082485199,-0.0670983344316483,3.96540641784668,11.6328220367432,0.0322421565651894,5.24148273468018,0.0,52.7841987609863,1.23289024829865,-0.00359984207898378,219.157272338867,2.06390786170959,21.6750888824463,-0.000906560278963298,0.0,157.854293823242,2.40370297431946,0.0573158785700798,0.0,17.3299903869629,87.0,1.08230459690094,7.1883978843689,0.435548156499863,1.64560723304749,1.20200002193451,0.096225045621395,1.70644152164459,0.0,79.93,1.0,2.55999994277954,0.315641134977341,65.9136047363281,0.0883883461356163,7.0,0.0,1.0,1.24099719524384,0.398271471261978,49.5924301147461,-47.4761581420898,6.95313692092896,0.248425260186195,0.370110929012299,279.988220214844,46.872,7.56927490234375,0.723287105560303,-6.86357402801514,4.46010112762451,0.0,0.0,34.9867515563965,0.888860642910004,4.12341165542603,0.27322855591774,0.0,0.0510310381650925,0.0,0.168784245848656,2.80100440979004,0.180335879325867,2.28867197036743,3.64580845832825,1.49891066551208
InChI%3D1S%2FC9H6Cl6O3S%2Fc10-5-6%2811%298%2813%294-2-18-19%2816%2917-1-3%284%297%285%2C12%299%288%2C14%2915%2Fh3-4H%2C1-2H2,0.304918348789215,3.02201986312866,7.0580735206604,3.0,3.30192732810974,2.0,400.88099193573,0.82940012216568,1.58294546604156,0.0,0.102713726460934,1.53360176086426,73.7276840209961,-0.268806308507919,2.20516586303711,349.051452636719,2393.1748046875,1.22827422618866,41.0438079833984,-549.405944824219,3104.47412109375,1.85583066940308,3.31930589675903,78.3642349243164,-54.9349746704102,5348.9775390625,150.923797607422,5719.56689453125,116.366928100586,0.5,0.0,0.309656590223312,10.8311195373535,387.100006103516,0.487398535013199,34.9739608764648,3.79985390796202,0.0446232184767723,1.28,0.0,3216.63842773438,0.0,2.16599988937378,11.9985370635986,0.17059987783432,0.428571432828903,79.1642074584961,0.418229401111603,1.35000002384186,124.604217529297,0.69034343957901,6.0,11.4079971313477,2.68506097793579,,-1.08659851551056,17.2892417907715,0.0,-0.108648732304573,2.39035105705261,0.75,7.27009391784668,0.0,419.361297607422,5.66476678848267,0.312431693077087,0.0,15.7919597625732,0.576154470443726,4.5555,2.62153148651123,-0.269755870103836,0.333333343267441,15.4540147781372,0.220078513026237,3.61440801620483,0.0,76.9888000488281,8.81329822540283,-0.249364987015724,156.568572998047,15.4800176620483,34.0754165649414,-0.13114607334137,0.0,246.438461303711,25.0794887542725,0.217283338308334,2.0,22.5623912811279,233.0,9.08245372772217,6.21937036514282,0.464064836502075,15.621696472168,0.83899998664856,0.0833333358168602,24.7674980163574,0.0,54.74,3.0,3.79985380172729,0.599595069885254,176.487411499023,0.0729166641831398,4.0,0.0,0.0,1.27999997138977,2.0660080909729,-192.482894897461,-277.790649414062,13.964129447937,0.559097230434418,0.170144110918045,795.844421386719,77.4985,86.2587203979492,2.58697009086609,-27.7762241363525,8.01819896697998,1.0,0.324377715587616,77.4973678588867,0.686444163322449,8.38204193115234,2.00970911979675,0.0,2.7034707069397,1.0,0.345979988574982,8.65906715393066,0.193659320473671,6.34332323074341,4.69155597686768,4.55907297134399
InChI%3D1S%2FC17H18N4O6S%2Fc1-10-7-11%282%2919-16%2818-10%2920-17%2823%2921-28%2824%2C25%2914-6-4-3-5-13%2814%2915%2822%2927-12-8-26-9-12%2Fh3-7%2C12H%2C8-9H2%2C1-2H3%2C%28H2%2C18%2C19%2C20%2C21%2C23%29,0.295108914375305,0.92382663488388,17.3688488006592,10.0,6.65250492095947,8.0,388.275993347168,0.666308581829071,0.474924474954605,0.0,0.160288855433464,2.60592484474182,40.2145195007324,-0.396377384662628,5.26126432418823,306.475067138672,1861.99328613281,1.3418060541153,42.0518951416016,-830.523254394531,2162.95556640625,4.38420724868774,9.50166034698486,54.3676795959473,-56.7121887207031,2965.01293945312,56.9344596862793,2982.59912109375,64.0801010131836,0.333333343267441,7.0,0.573125422000885,0.0,1548.10998535156,1.55312466621399,31.9720726013184,9.87128177393186,0.0441001355648041,6.25,1.63700199127197,2940.3896484375,3.20187377929688,-0.492300003767014,11.9966688156128,0.333691447973251,0.5,295.419647216797,0.429966360330582,2.11999988555908,800.56396484375,0.426874577999115,0.0,22.7315807342529,2.81438660621643,144.960006713867,-1.1567964553833,35.5637245178223,2.38110160827637,-0.0789917185902596,0.428855359554291,1.0,8.04379558563232,0.233333333333333,478.376953125,5.36668014526367,0.302913814783096,1.0,88.4618148803711,0.937405407428741,2.2538,2.05632495880127,-0.605405449867249,4.62235593795776,12.4151363372803,0.329416751861572,12.0524072647095,0.0,102.546501159668,4.5581202507019,-0.195908635854721,411.476013183594,7.99364805221558,236.102783203125,-0.171052351593971,7.0,1115.06750488281,10.3198261260986,0.1500343978405,2.0,31.6617412567139,642.0,1.5876008272171,4.85201644897461,0.482696622610092,2.12308406829834,-0.727999985218048,0.144337564706802,2.16368913650513,7.0,148.45,10.0,9.87128162384033,0.234708055853844,220.034103393555,0.0481125228106976,22.0,1.42381393909454,0.0,6.25,0.405420333147049,105.000953674316,-596.275085449219,15.5755205154419,0.0662677958607674,0.138440653681755,1945.5908203125,98.06,239.574127197266,1.03127980232239,-40.7165794372559,9.08284759521484,1.40261256694794,0.0361295826733112,88.3739318847656,0.676092743873596,6.9802942276001,0.09514681994915,1.0,0.120112083852291,3.0,0.429143100976944,4.45881652832031,0.108842618763447,2.91389632225037,0.242359295487404,1.62744808197021
InChI%3D1S%2FC14H20N3O5PS%2Fc1-5-19-14%2818%2911-9-17-12%2815-10%2811%294%298-13%2816-17%2922-23%2824%2C20-6-2%2921-7-3%2Fh8-9H%2C5-7H2%2C1-4H3,0.294602245092392,1.99843728542328,16.1994285583496,8.0,4.08755731582642,0.0,353.210995674133,0.85018402338028,1.25908553600311,1.0,0.188870266079903,2.99289488792419,40.7304763793945,-0.316130459308624,3.72727060317993,119.513000488281,1402.91235351562,1.55565309524536,41.3741683959961,-287.365295410156,1628.02722167969,1.94501268863678,9.47926330566406,54.9052658081055,-27.8222103118896,2281.82055664062,53.6489486694336,2251.8583984375,55.4028015136719,1.47470700740814,9.0,0.820810198783875,0.161923483014107,2257.10009765625,1.97361278533936,31.9720726013184,9.08734693877551,0.0393179506063461,5.25,3.82593703269958,2099.09521484375,3.81720590591431,0.783999979496002,11.8900003433228,0.149816006422043,0.461538463830948,365.129180908203,0.555295765399933,1.89999997615814,877.941833496094,0.179189786314964,0.0,17.4901962280273,2.07172155380249,,-0.430856287479401,47.5517959594727,0.333333343267441,-0.0417147576808929,0.27578341960907,0.857142865657806,7.01139497756958,0.36,567.041442871094,4.58843755722046,0.230086550116539,0.0,74.857551574707,0.847825825214386,3.5413,2.48788237571716,-0.593276083469391,1.69931519031525,9.80726623535156,0.409922629594803,6.61022710800171,1.0,91.6577987670898,3.9933443069458,-0.496214866638184,547.450256347656,6.89803838729858,196.801284790039,0.368841022253036,9.0,1316.3271484375,8.11601543426514,0.184753105044365,4.0,26.2236270904541,479.0,2.61995220184326,4.83201503753662,0.509391665458679,4.07311487197876,2.65799999237061,0.096225045621395,4.07837963104248,9.0,126.08,8.0,9.08734703063965,0.259679704904556,79.7107772827148,0.0527046285569668,5.0,0.0,0.0,5.25,0.4231236577034,427.937225341797,-191.662094116211,16.3997764587402,0.115565717220306,0.131339818239212,1603.69250488281,92.0715,99.9217681884766,1.51140880584717,-18.5563907623291,11.0057945251465,0.689297556877136,0.111803397536278,54.0458374023438,0.786815822124481,8.6869421005249,0.192579939961433,0.0,0.110842280089855,1.0,0.490965664386749,6.5478982925415,0.122472636401653,5.16771030426025,0.6146559715271,2.78211879730225
InChI%3D1S%2FC7H14N2O2S%2Fc1-7%282%2C12-4%295-9-11-6%2810%298-3%2Fh5H%2C1-4H3%2C%28H%2C8%2C10%29,0.303534626960754,0.120067939162254,9.24320983886719,5.0,0.0,0.0,176.15599822998,0.781680822372437,0.0668714940547943,0.0,0.227985858917236,0.822471022605896,20.3966674804688,-0.32416495680809,2.5299072265625,124.720703125,637.70361328125,1.44275665283203,16.0557765960693,-140.998275756836,651.527893066406,9.8550786972046,5.8908314704895,21.5552196502686,-24.88649559021,762.169738769531,16.3555641174316,582.986389160156,12.0512313842773,0.0,4.0,0.684894144535065,2.12758898735046,493.049987792969,0.774281203746796,31.972677230835,5.61224489795918,0.0423200055956841,6.25,1.43721640110016,389.864227294922,0.961124539375305,1.48800003528595,11.9984836578369,0.218319177627563,0.5,107.297027587891,0.552375078201294,1.67999994754791,121.300590515137,0.315105825662613,0.0,6.62994527816772,1.49578189849854,79.4800033569336,-0.356230974197388,20.8208980560303,0.333333343267441,-0.0628755316138268,0.0,1.0,1.30997800827026,0.363636363636364,309.393768310547,0.719861328601837,0.273704409599304,2.0,21.8290710449219,0.290997445583344,1.6742,0.31856843829155,-0.213393092155457,0.0,10.9956121444702,0.0626395270228386,0.333333343267441,0.0,50.0533981323242,1.94990611076355,0.0446662381291389,271.085052490234,1.55556845664978,43.329776763916,-0.0251282285898924,4.0,306.464965820312,0.837906002998352,0.0889810994267464,1.0,16.7505016326904,135.0,1.82388865947723,4.48403167724609,0.514620780944824,1.03849744796753,2.26799988746643,0.0,0.300362586975098,12.0,79.48,2.0,5.61224508285522,0.0,49.3651733398438,0.0,6.0,0.0,1.0,6.25,0.0,146.364349365234,-55.8079299926758,8.55198383331299,0.0,0.286701619625092,447.463226318359,53.1588,86.4119873046875,1.64897918701172,-9.85021877288818,4.66511678695679,0.5,0.353553384542465,41.6369972229004,0.882331848144531,4.09999752044678,0.0,1.0,0.0,0.0,0.375760793685913,2.37295699119568,0.268463432788849,0.442390441894531,2.21414399147034,0.196669667959213
InChI%3D1S%2FC10H16N4O2S%2Fc1-10%282%2C3%297-11-12-8%2817-7%2914-6%2815%295-13%284%299%2814%2916%2Fh6%2C15H%2C5H2%2C1-4H3,,0.949123322963715,16.3651847839355,6.0,2.38110160827637,0.0,240.202997207642,0.834162712097168,0.514373302459717,0.0,0.367424488067627,0.92459511756897,26.1166439056396,,1.96823513507843,147.927352905273,1264.86157226562,1.57573628425598,23.6932239532471,-235.116333007812,1500.99938964844,5.11451101303101,13.4723539352417,39.5535697937012,-25.6319770812988,2182.4951171875,37.7505989074707,1793.2412109375,34.6328277587891,0.0,2.0,0.709087014198303,0.908227384090424,953.070007324219,1.12702584266663,,4.59183673469388,0.039238478988409,2.56,0.781589925289154,1524.88513183594,4.05589056015015,1.30490005016327,,0.165837317705154,0.5,183.345458984375,0.676928877830505,1.78999996185303,291.410034179688,0.290913015604019,0.0,10.1457185745239,2.45199537277222,,-0.462378352880478,26.4425182342529,1.0,-0.0504076890647411,0.767368495464325,1.0,4.90226936340332,0.111111111111111,424.166229248047,3.14830327033997,0.120269663631916,1.0,40.7930526733398,0.409628808498383,1.0287,1.39471399784088,-0.317817628383636,0.0,,0.284503877162933,1.70914804935455,0.0,53.0139007568359,4.23862504959106,-0.255518347024918,360.566040039062,6.03250598907471,81.6755065917969,0.0617328770458698,2.0,573.085205078125,7.43967914581299,0.0564976893365383,0.0,19.952507019043,222.0,2.73846316337585,,0.542680382728577,2.89687371253967,0.728999972343445,0.196418553590775,2.95561647415161,3.0,97.8,6.0,4.59183692932129,0.408030122518539,75.2200775146484,0.102062076330185,9.0,0.25,0.0,2.55999994277954,0.725299835205078,212.638702392578,-119.555107116699,11.1535177230835,0.15416607260704,0.236302256584167,808.201538085938,59.7012,84.3271789550781,1.85454320907593,-13.03369140625,6.18499040603638,0.0,0.25,45.5844841003418,0.971484005451202,6.10947704315186,0.249434188008308,1.0,0.507212281227112,1.0,0.356127053499222,3.87813925743103,0.179376974701881,2.48185706138611,1.70276403427124,1.46216881275177
InChI%3D1S%2FBrHO3%2Fc2-1%283%294%2Fh%28H%2C2%2C3%2C4%29%2Fp-1,0.456398069858551,0.0,,2.0,0.0,0.0,127.90099811554,,0.0,0.0,,,49.5814971923828,-0.202541187405586,,,88.1253967285156,,26.5859260559082,,69.4881134033203,,,5.32340717315674,,62.2679405212402,0.0,0.0,0.0,0.0,0.0,,,3.03999996185303,,78.9190368652344,1.33333333333333,,0.0,0.0,0.0,0.0,-0.840699970722198,15.9934177398682,,0.5,,,1.01999998092651,,,1.0,,0.577350258827209,57.2000007629395,,6.74399995803833,0.0,,0.0,1.0,0.0,0.0,,0.0,,0.0,,0.193335801362991,0.4892,0.0,-0.145001843571663,0.0,5.15380620956421,0.0483339503407478,0.0,0.0,2.88579988479614,0.0,0.0,,0.0,,0.0,0.0,,0.0,,0.0,,9.0,0.0,4.45219135284424,,0.0,0.0520000010728836,0.0,0.0,4.0,57.2,3.0,1.33333337306976,0.0,,0.0,4.0,1.5,0.0,,0.0,,,2.78045749664307,0.0,,,10.9865,,0.0,,1.60356748104095,0.0,0.0,,,0.327326834201813,0.0,0.0,0.0,2.0,,0.0,,0.0,0.70677649974823,0.0
InChI%3D1S%2FC14H21N3O4%2Fc1-6-9%282%2915-13-11%2816%2818%2919%297-10%2814%283%2C4%295%298-12%2813%2917%2820%2921%2Fh7-9%2C15H%2C6H2%2C1-5H3,,0.86203408241272,14.0191354751587,5.0,4.64039134979248,5.0,274.170993804932,0.993425369262695,0.395332753658295,0.0,0.287051528692245,1.50415623188019,25.1778411865234,,2.47631502151489,227.751815795898,1244.02990722656,1.49338066577911,23.878604888916,-276.163879394531,1439.55334472656,0.944499492645264,10.0386638641357,35.206787109375,-24.6406688690186,2030.50219726562,37.5400085449219,2112.72265625,40.3938865661621,0.0,6.0,0.631588995456696,0.430143386125565,1344.06994628906,0.765842735767365,,7.51300728407908,0.0196191687136889,5.0,3.86907005310059,1962.6748046875,6.42411088943481,0.80680000782013,,0.00657462561503053,0.444444447755814,241.375381469727,0.599083125591278,2.23000001907349,292.683349609375,0.368411034345627,0.0,7.49788951873779,2.87395310401917,80.3099975585938,-0.446722358465195,26.1293468475342,0.0,-0.0398587137460709,0.816289365291595,0.800000011920929,4.64146614074707,0.285714285714286,614.135864257812,4.10508346557617,0.176638230681419,0.0,43.6833763122559,0.174059242010117,5.0573,1.5655118227005,-0.00600162800401449,0.814325273036957,,-0.068744421005249,6.73137187957764,0.0,46.3053016662598,4.61527395248413,-0.0349917598068714,390.448486328125,5.68533277511597,95.0941772460938,0.0696978643536568,6.0,473.444183349609,8.55862236022949,0.107293076813221,0.0,12.1285762786865,279.0,2.04905915260315,,0.434224784374237,2.01285099983215,6.89300012588501,0.0,2.40606212615967,5.0,103.67,1.0,7.51300716400146,0.0555555559694767,140.796234130859,0.0,13.0,1.44224953651428,0.0,5.0,0.131211519241333,162.696670532227,-170.724594116211,12.9665775299072,0.020833333954215,0.232381477952003,749.608093261719,86.1617,4.06443548202515,1.80359256267548,-15.2328681945801,6.81359148025513,0.0,0.25,36.7692451477051,0.797964692115784,6.10735082626343,0.0394672341644764,0.0,0.303791433572769,4.0,0.460072726011276,3.35925102233887,0.12104107439518,1.82914900779724,0.650926232337952,1.37451136112213
InChI%3D1S%2FC6H11N2O4PS3%2Fc1-10-5-7-8%286%289%2916-5%294-15-13%2814%2C11-2%2912-3%2Fh4H2%2C1-3H3,0.309434205293655,2.40738558769226,13.9564914703369,7.0,0.5,0.0,291.251001358032,0.85498309135437,1.74768614768982,1.0,0.270098239183426,1.66283977031708,43.8515243530273,-0.355085611343384,2.61532258987427,152.769134521484,1121.36865234375,1.53925764560699,40.168758392334,-262.039337158203,1267.97473144531,3.34770512580872,9.67832946777344,56.9230194091797,-23.9282188415527,1659.59936523438,42.0769119262695,1393.51989746094,33.4333229064941,0.650697648525238,6.0,0.720298945903778,1.04364454746246,601.099975585938,1.23550248146057,31.9742698669434,6.07438016528926,0.0376464314758778,3.76923076923077,0.696238338947296,1041.43579101562,1.22054314613342,2.28909993171692,11.9985847473145,0.145016893744469,0.444444447755814,214.879943847656,0.600787818431854,1.01999998092651,368.575714111328,0.279701054096222,0.0,11.2307024002075,1.53326976299286,,-0.479760974645615,30.8576908111572,0.0,-0.0438095554709435,0.117851130664349,0.800000011920929,3.34803152084351,0.375,466.980865478516,2.1934506893158,0.187391117215157,0.0,45.7543258666992,0.716129004955292,2.172,0.777895987033844,-0.558658480644226,0.0,11.3674831390381,0.404795527458191,0.81649661064148,1.0,70.3099975585938,3.23994326591492,-0.377963572740555,393.418090820312,3.72170567512512,101.800537109375,0.273106426000595,6.0,674.815673828125,2.95650362968445,0.119144544005394,3.0,20.5620002746582,220.0,4.84628915786743,5.21768760681152,0.437378704547882,4.73431158065796,1.46399998664856,0.096225045621395,2.88943338394165,8.0,158.02,6.0,6.07438039779663,0.232307806611061,83.4405517578125,0.079056940972805,4.0,0.0,2.0,3.76923084259033,0.300349175930023,240.648956298828,-143.122528076172,12.3805389404297,0.120451420545578,0.206955119967461,936.855041503906,69.046,79.2063751220703,2.52608823776245,-13.0692882537842,9.28397274017334,0.57235711812973,0.335410207509995,44.4902191162109,0.76536762714386,10.0856027603149,0.159559890627861,0.0,0.0395284704864025,1.0,0.501091122627258,8.24663734436035,0.162674844264984,4.28214693069458,5.2399787902832,2.86309313774109
InChI%3D1S%2FC8H11NO2%2Fc1-10-6-3-4-7%289%298%285-6%2911-2%2Fh3-5H%2C9H2%2C1-2H3,0.0954993069171906,0.205387279391289,8.39206123352051,3.0,1.65096366405487,6.0,142.09299659729,0.859620094299316,0.0588427148759365,0.0,0.188323482871056,0.165967330336571,12.9089260101318,-0.375904411077499,3.32151055335999,75.7248764038086,510.352600097656,1.09288465976715,12.494553565979,-80.6502838134766,557.997375488281,6.03965187072754,4.90458345413208,15.660737991333,-17.475025177002,707.550170898438,16.214204788208,633.414123535156,10.7710237503052,0.25,2.0,0.789250254631042,2.62580323219299,374.029998779297,0.840585768222809,15.9982604980469,4.13265306122449,0.0508290342986584,2.21453287197232,1.66881787776947,351.588073730469,1.91031968593597,-0.790499985218048,11.9962921142578,0.140379920601845,0.5,101.896125793457,0.469234943389893,2.00999999046326,108.523803710938,0.210749760270119,0.0,6.56228113174438,0.606493055820465,44.4799995422363,-0.224457651376724,15.1972770690918,0.0,-0.0486347116529942,0.117851130664349,1.0,2.45243382453918,0.181818181818182,308.871643066406,1.80933880805969,0.395791977643967,0.0,17.6558876037598,0.322332561016083,1.286,0.336787670850754,-0.169906988739967,1.65096366405487,8.16245365142822,-0.0237864553928375,5.85380077362061,0.0,47.7925987243652,1.51372230052948,-0.00238554505631328,283.5869140625,1.93947446346283,28.7516613006592,0.0848810449242592,2.0,302.032379150391,2.29637384414673,0.0197767056524754,2.0,18.2634716033936,101.0,0.428021252155304,4.76334571838379,0.453520476818085,0.453245371580124,0.80400002002716,0.0,0.409003227949142,2.0,44.48,1.0,4.13265323638916,0.0680413842201233,27.2088413238525,0.0,9.0,0.0,0.0,2.21453285217285,0.164266422390938,207.862045288086,-28.9785976409912,6.6258978843689,0.0240562614053488,0.327276051044464,382.682678222656,43.9584,50.4401588439941,0.210300281643867,-6.27898263931274,3.25145387649536,0.0,0.0,35.7384986877441,0.781935453414917,2.10788059234619,0.0335307456552982,0.0,0.0196418557316065,0.0,0.170129239559174,1.44064462184906,0.116597458720207,0.8184415102005,0.624890267848969,0.483134061098099
InChI%3D1S%2FC3H8O3%2Fc4-1-3%286%292-5%2Fh3-6H%2C1-2H2,0.100982584059238,0.0,4.15860605239868,3.0,0.0,0.0,84.0299978256226,0.404244095087051,0.0,0.0,0.229729771614075,0.448381096124649,8.32340717315674,-0.417763918638229,1.05021548271179,100.872138977051,140.110855102539,1.21734035015106,5.99627590179443,-118.404502868652,130.602203369141,15.5134792327881,2.66000962257385,6.32836771011353,-39.4959678649902,119.19588470459,6.21312189102173,72.5615386962891,1.77446901798248,0.0,2.0,0.691926777362823,4.28916358947754,139.029998779297,0.812189042568207,15.9987001419067,3.2,0.0855411812663078,3.0,0.0,14.5547018051147,0.0,-1.40810000896454,11.9965486526489,0.595755875110626,0.5,74.1813430786133,0.49793529510498,1.46000003814697,87.0746459960938,0.308073222637177,0.0,9.17085456848145,0.288675129413605,60.689998626709,-0.361618757247925,8.74565601348877,0.0,-0.120624482631683,0.0,1.0,0.288675129413605,0.4,132.361282348633,0.0,0.25254026055336,0.0,4.45717811584473,0.285273432731628,-1.6681,0.0,-0.0475455746054649,0.5,6.06800413131714,-0.142636716365814,2.0,0.0,20.5160999298096,0.577350258827209,0.0,226.55696105957,0.288675129413605,9.8683738708496,0.0475455746054649,2.0,265.934326171875,0.0,0.10782004147768,0.0,28.0086727142334,29.0,0.115470051765442,3.80696511268616,0.422843456268311,0.0258198883384466,-1.87999999523163,0.0,0.0,6.0,60.69,3.0,3.20000004768372,0.0,33.0284729003906,0.0,0.0,0.908560276031494,0.0,3.0,0.0,125.684829711914,-38.7690811157227,3.33320450782776,0.0,0.334810435771942,384.338836669922,20.1784,195.067825317383,0.129099443554878,-12.9321298599243,1.707151055336,0.0,0.0,67.504638671875,0.770256698131561,1.01897192001343,0.0,3.0,0.0,0.0,0.296561598777771,0.421498209238052,0.179192587733269,0.0577350258827209,1.98274564743042,0.0
InChI%3D1S%2FC12H9Cl%2Fc13-12-8-4-7-11%289-12%2910-5-2-1-3-6-10%2Fh1-9H,0.121401526033878,0.444089740514755,9.5889892578125,0.0,1.65096366405487,10.0,179.584995269775,1.0,0.233293190598488,0.0,0.318145185709,0.377832919359207,20.7127532958984,-0.178486093878746,1.94723880290985,224.696914672852,839.405395507812,1.66480112075806,15.9517374038696,-143.375701904297,944.616516113281,14.2974767684937,7.26391744613647,21.9034748077393,-17.6215496063232,1209.32849121094,19.9034748077393,1067.81201171875,15.9034748077393,0.0,1.0,0.484602004289627,0.541153848171234,373.010009765625,0.309217184782028,34.9693794250488,4.48148148148148,0.0304539054632187,2.47933884297521,0.0,752.191955566406,0.0,2.78430008888245,11.9985237121582,0.0,0.428571432828903,92.107292175293,0.560293197631836,2.67000007629395,58.7722625732422,0.515397965908051,1.0,5.78831005096436,0.622008442878723,0.0,-0.328867644071579,10.2588634490967,0.0,-0.0404193848371506,0.0833333358168602,0.75,3.51475310325623,0.0714285714285714,435.9677734375,2.78210639953613,0.203070282936096,0.0,17.6248588562012,0.0253396593034267,4.007,0.93403172492981,-0.00823045987635851,12.5845041275024,9.8885726928711,-0.00412112940102816,11.6507186889648,0.0,64.1875991821289,1.29197371006012,-0.000300812884233892,211.270858764648,1.99603021144867,32.5581359863281,-1.72765703609912e-05,1.0,134.808731079102,2.63352584838867,0.039402786642313,0.0,13.2769212722778,153.0,0.582054376602173,6.27624130249023,0.551014602184296,0.747986555099487,3.44000005722046,0.0,0.831622838973999,0.0,0.0,0.0,4.48148155212402,0.185395404696465,97.9606170654297,0.0,12.0,0.0,0.0,2.47933888435364,0.190371423959732,-13.4260540008545,-62.5071830749512,7.83004570007324,0.0598527938127518,0.204338550567627,278.184417724609,56.888,0.0,0.355648905038834,-7.68242788314819,4.54899740219116,0.0,0.0,30.8984699249268,0.727210640907288,3.31280851364136,0.0614234358072281,0.0,0.0277777779847383,0.0,0.553493320941925,2.166836977005,0.114716917276382,1.48893344402313,7.75232648849487,0.984832167625427
InChI%3D1S%2FC5H10N2S2%2Fc1-6-3-7%282%295%288%299-4-6%2Fh3-4H2%2C1-2H3,0.103952571749687,0.48155152797699,5.93381071090698,3.0,0.0,0.0,152.203001022339,0.979107797145844,0.0750000029802322,1.0,0.191092401742935,0.820231914520264,21.9754829406738,-0.28320986032486,1.62376713752747,125.463592529297,763.342895507812,1.46105265617371,15.0064668655396,-84.6670303344727,827.174255371094,3.0277259349823,3.48981189727783,24.8281326293945,-7.73711395263672,1028.15576171875,20.6834526062012,775.884399414062,6.11346435546875,0.0,0.0,0.645425319671631,0.497277528047562,289.040008544922,0.435554623603821,31.9733581542969,2.72222222222222,0.0305160600692034,1.70414201183432,1.68179285526276,266.856079101562,0.70710676908493,1.60210001468658,11.9985990524292,0.0208922326564789,0.400000005960464,80.810173034668,0.575502216815948,1.57000005245209,54.5334129333496,0.354574650526047,0.0,3.82074904441833,0.760079681873322,,-0.239278852939606,18.3120708465576,0.0,-0.0218659825623035,0.16666667163372,0.666666686534882,1.81676292419434,0.0,346.449951171875,1.33160018920898,0.273646593093872,0.0,9.8609619140625,0.190474957227707,0.8867,0.0680413842201233,-0.196756392717361,0.5,11.9333152770996,0.204911604523659,1.0,0.0,45.986198425293,1.47827804088593,-0.139732643961906,228.378921508789,1.55802857875824,20.4427337646484,0.0392120629549026,0.0,154.117736816406,2.07593297958374,0.138230204582214,0.0,10.7978792190552,67.0,1.64162218570709,6.4361834526062,0.47289702296257,1.45725953578949,0.778999984264374,0.0,2.01772618293762,0.0,65.07,2.0,2.72222232818604,0.0680413842201233,44.3943557739258,0.0,3.0,0.0,1.0,1.70414197444916,0.20412415266037,102.915336608887,-29.9587955474854,7.25813055038452,0.0612372420728207,0.419594079256058,238.784774780273,41.9721,7.39256000518799,0.717130899429321,-2.73772001266479,4.15748739242554,0.0,0.0,18.5349941253662,0.490951001644135,3.81346583366394,0.197474494576454,0.0,0.237170830368996,0.0,0.412653386592865,2.96736240386963,0.146410778164864,1.64274454116821,2.56672430038452,1.30242133140564
InChI%3D1S%2FC26H23F2NO4%2Fc1-17%282%2924%2818-11-13-21%2814-12-18%2932-26%2827%2928%2925%2830%2933-23%2816-29%2919-7-6-10-22%2815-19%2931-20-8-4-3-5-9-20%2Fh3-15%2C17%2C23-24%2C26H%2C1-2H3,0.371978849172592,1.02680778503418,22.469482421875,5.0,10.4581613540649,16.0,428.28498840332,0.82912427186966,0.661011695861816,0.0,0.333763897418976,1.61949408054352,39.4619522094727,-0.310364037752151,3.36082434654236,369.246673583984,1943.15148925781,1.23839175701141,38.6543998718262,-939.501708984375,2234.08203125,1.86431205272675,17.489164352417,54.977783203125,-58.5843391418457,2992.16235351562,55.2004165649414,3115.00561523438,59.1391677856445,0.400594353675842,10.0,0.521877288818359,0.389186143875122,2308.07006835938,1.3278511762619,19.0006103515625,13.921231326392,0.0332052037119865,8.56123662306778,3.71375250816345,2985.16015625,4.67043685913086,3.3092999458313,11.9973621368408,0.170875743031502,0.5,311.259613037109,0.413932293653488,3.54999995231628,791.9609375,0.478122740983963,2.0,19.8043479919434,2.20076751708984,68.5500030517578,-1.21652317047119,34.9157600402832,0.0,-0.0758585184812546,0.328567415475845,1.0,9.33768463134766,0.285714285714286,640.319641113281,6.92393779754639,0.149572849273682,0.0,92.5444412231445,0.85607236623764,6.62798000000001,3.40835618972778,-0.534995079040527,17.0665702819824,10.9233417510986,0.110706396400928,27.529483795166,0.0,131.053497314453,4.16750335693359,0.0960428789258003,403.03759765625,7.20991086959839,210.204559326172,-0.163972795009613,10.0,1025.478515625,8.89297485351562,0.0720752775669098,3.0,25.6438579559326,941.0,1.62817847728729,2.97114562988281,0.445082783699036,2.15611481666565,3.71700000762939,0.0,2.15424823760986,10.0,68.55,3.0,13.9212312698364,0.268728733062744,285.163391113281,0.0,13.0,0.0,0.0,8.56123638153076,0.286244958639145,33.7909469604492,-725.562377929688,18.1510906219482,0.087630569934845,0.121905036270618,1964.98022460938,118.057,131.964645385742,0.953950762748718,-45.2437629699707,10.348219871521,0.650697648525238,0.0,84.2281951904297,0.870295226573944,7.60285806655884,0.0678500458598137,0.0,0.144641861319542,1.0,0.37937667965889,4.87599515914917,0.137503206729889,3.37387704849243,10.9514665603638,2.0341055393219
InChI%3D1S%2FC19H21ClN2O%2Fc20-16-12-10-15%2811-13-16%2914-22%2818-8-4-5-9-18%2919%2823%2921-17-6-2-1-3-7-17%2Fh1-3%2C6-7%2C10-13%2C18H%2C4-5%2C8-9%2C14H2%2C%28H%2C21%2C23%29,0.219030529260635,1.04157376289368,16.0209827423096,3.0,2.63399767875671,11.0,307.67499256134,0.895510256290436,0.609499275684357,0.0,0.244568109512329,0.988108158111572,32.2071990966797,-0.335408717393875,4.46825170516968,227.539077758789,1568.93249511719,1.17217993736267,28.1147556304932,-355.006958007812,1792.39013671875,4.50500917434692,10.5646228790283,39.2013206481934,-25.2447814941406,2364.8056640625,36.3954162597656,2204.17333984375,33.9416809082031,0.0,5.0,0.644394755363464,3.55786824226379,1610.0400390625,1.00538611412048,34.9688529968262,8.90909090909091,0.0386312380433083,5.23497917906008,0.0,2097.15576171875,0.0,1.26779997348785,11.8999996185303,0.104489728808403,0.5,263.832153320312,0.460883378982544,3.10999989509583,411.631500244141,0.355605214834213,1.0,15.8166446685791,1.23537516593933,35.8300018310547,-0.554816007614136,26.6773471832275,0.0,-0.0394533351063728,0.164266422390938,1.0,6.34805154800415,0.2,573.005004882812,4.84985828399658,0.278899967670441,1.0,62.0595016479492,0.228339523077011,5.3303,1.97881758213043,-0.20555467903614,19.9065036773682,11.0492744445801,0.16498389840126,18.7114505767822,0.0,95.4693984985352,2.61323666572571,-0.0706994757056236,412.3251953125,3.92775464057922,124.724517822266,-0.00650440948083997,5.0,643.310668945312,5.35637760162354,0.0616758763790131,0.0,24.7187480926514,446.0,1.20494639873505,6.08790349960327,0.383100181818008,1.55750012397766,3.66799998283386,0.144337564706802,1.7655074596405,5.0,35.83,3.0,8.90909099578857,0.268728733062744,145.594131469727,0.144337564706802,10.0,0.0,0.0,5.23497915267944,0.321465760469437,184.786117553711,-227.156265258789,13.7845706939697,0.124402515590191,0.214929088950157,998.317626953125,95.4168,66.859245300293,0.646476864814758,-16.1532325744629,8.4379014968872,0.0,0.0,49.9635314941406,0.682839632034302,6.37643671035767,0.143401682376862,1.0,0.063900962471962,0.0,0.328196406364441,4.52580499649048,0.141326069831848,3.17376780509949,1.60731685161591,1.91517984867096
InChI%3D1S%2FC23H22ClF3O2%2Fc1-14-16%2810-7-11-17%2814%2915-8-5-4-6-9-15%2913-29-21%2828%2920-18%2822%2820%2C2%293%2912-19%2824%2923%2825%2C26%2927%2Fh4-12%2C18%2C20H%2C13H2%2C1-3H3,0.432582497596741,1.27447426319122,19.9643325805664,2.0,8.04298305511475,10.0,400.697988510132,0.95359969139099,0.664167106151581,0.0,0.306294202804565,1.47672021389008,42.767822265625,-0.310693174600601,3.67955541610718,301.592987060547,1846.8603515625,1.37401914596558,35.6933670043945,-594.891662597656,2190.77783203125,0.291471242904663,14.8080568313599,55.925708770752,-35.1527404785156,2904.3125,61.0287780761719,2876.21630859375,48.9697494506836,0.0,7.0,0.564042568206787,0.0,1997.06005859375,1.11257302761078,34.9688529968262,9.24038026256225,0.0271681901067495,5.08680462241333,4.61173677444458,2563.14892578125,5.86913633346558,5.16009998321533,11.8900003433228,0.04640032351017,0.466666668653488,269.939361572266,0.506269156932831,3.32999992370605,532.454956054688,0.435957431793213,4.0,13.0021467208862,3.59247779846191,26.2999992370605,-0.859925270080566,30.9535541534424,0.0,-0.0508138425648212,1.13732385635376,0.875,7.5930643081665,0.225806451612903,659.695129394531,5.90348052978516,0.184306457638741,0.0,81.788101196289,0.583863437175751,6.66240000000001,2.57428812980652,-0.341768890619278,11.7522029876709,10.6044807434082,0.0362757034599781,18.6765785217285,0.0,116.032600402832,6.52909851074219,0.0457729212939739,390.201599121094,7.91972541809082,182.214584350586,0.0524527989327908,7.0,769.671997070312,10.0690298080444,0.0739679262042046,1.0,18.794807434082,719.0,3.09238886833191,3.81638312339783,0.418112605810165,3.23703503608704,6.42500019073486,0.496193736791611,3.61398553848267,7.0,26.3,2.0,9.24038028717041,1.07641398906708,208.640411376953,0.407229274511337,12.0,0.0,0.0,5.43751811981201,1.38176369667053,88.6086120605469,-411.542846679688,17.1422424316406,0.550671100616455,0.157456174492836,1364.56359863281,107.163,32.0994911193848,1.81872248649597,-24.3184776306152,9.66043758392334,0.5,0.180165395140648,53.9475479125977,0.731927752494812,8.30781841278076,0.586182355880737,0.0,0.374760419130325,1.0,0.44963738322258,5.83561897277832,0.219272434711456,3.5653920173645,26.6266326904297,2.39987826347351
InChI%3D1S%2FC10H5Cl2NO2%2Fc11-6-3-5-1-2-7%2812%298%2810%2814%2915%299%285%2913-4-6%2Fh1-4H%2C%28H%2C14%2C15%29,0.294808864593506,0.612984657287598,8.63636112213135,2.0,7.03056669235229,6.0,237.020994186401,0.70793205499649,0.373950779438019,0.0,0.198324218392372,0.162279531359673,32.3344345092773,-0.327644616365433,3.31156182289124,255.436935424805,996.351318359375,1.21741187572479,20.9000301361084,-309.383880615234,1171.00769042969,7.04762840270996,5.16251993179321,32.7441596984863,-42.1508560180664,1645.43774414062,36.2423324584961,1624.51525878906,37.762939453125,0.0,1.0,0.441746115684509,5.40324306488037,231.050003051758,0.535040557384491,34.9698524475098,4.47258979206049,0.0496852286159992,2.24,0.0,1187.94128417969,0.0,1.49660003185272,11.9884376525879,0.29206794500351,0.428571432828903,92.4861297607422,0.528328835964203,2.00999999046326,112.018714904785,0.558253884315491,2.0,10.4023427963257,1.27157127857208,50.189998626709,-0.67615419626236,8.58403491973877,0.0,-0.092120110988617,0.303080826997757,0.75,4.60364437103271,0.0625,323.924285888672,3.54362607002258,0.383444100618362,0.0,18.4711742401123,0.339297860860825,1.9051,1.60719788074493,-0.13661926984787,2.40685200691223,10.1418542861938,-0.00148902332875878,10.3580589294434,0.0,62.3646011352539,2.62310361862183,-0.165257200598717,202.127151489258,4.58098888397217,29.8818664550781,0.219339579343796,1.0,244.815353393555,6.3558669090271,0.0187902674078941,0.0,22.7341766357422,169.0,1.02386450767517,4.60350942611694,0.543771207332611,1.37711954116821,1.35000002384186,0.0,1.59996509552002,3.0,53.02,3.0,4.47258996963501,0.12359693646431,116.878768920898,0.0,13.0,0.5,0.0,2.24000000953674,0.321635603904724,-53.3097763061523,-141.562957763672,8.87986373901367,0.0394672341644764,0.270457625389099,554.19921875,56.78,133.63981628418,0.600024223327637,-19.2867183685303,4.82013893127441,0.0,0.0,64.8850326538086,0.875244200229645,3.79642915725708,0.0965886190533638,1.0,0.0849360674619675,1.0,0.145311877131462,2.50419282913208,0.243359208106995,1.75336956977844,2.23981165885925,1.15106785297394
InChI%3D1S%2FC8H8Cl3O3PS%2Fc1-12-15%2816%2C13-2%2914-8-4-6%2810%295%289%293-7%288%2911%2Fh3-4H%2C1-2H3,0.297555208206177,0.954301357269287,10.1424551010132,4.0,3.30192732810974,6.0,313.48499584198,0.932024240493774,0.489313811063766,1.0,0.220709428191185,1.29126381874084,53.2398338317871,-0.312516391277313,2.48565912246704,233.516265869141,1016.98089599609,1.54510033130646,36.0421905517578,-300.290832519531,1153.85168457031,4.00824975967407,6.36553239822388,50.1037330627441,-32.8656005859375,1558.91845703125,57.1789360046387,1490.85278320312,49.269718170166,1.5,4.0,0.512851893901825,0.356841057538986,336.079986572266,0.659503221511841,34.9710578918457,5.55765595463138,0.0264722239226103,3.49519890260631,0.730296730995178,1102.97241210938,1.48600459098816,3.06769990921021,11.9985437393188,0.0679757595062256,0.5,117.843132019043,0.584072709083557,1.46000003814697,151.540679931641,0.487148076295853,3.0,6.08278846740723,1.80055010318756,69.5899963378906,-0.626449346542358,22.093656539917,0.0,-0.0685623064637184,0.284517794847488,1.0,3.40952301025391,0.25,446.769317626953,2.6831591129303,0.245074689388275,0.0,27.251766204834,0.504551112651825,5.1935,0.797337174415588,-0.385308176279068,0.333333343267441,9.9038257598877,0.310848027467728,5.65685415267944,1.0,74.8251037597656,3.75468635559082,-0.241101905703545,245.837493896484,4.28588771820068,57.8252983093262,-0.0259905904531479,4.0,316.135345458984,5.41668701171875,0.127312749624252,3.0,12.6895599365234,194.0,2.77381730079651,4.85292959213257,0.523481369018555,2.73961186408997,4.02799987792969,0.0,3.03362774848938,7.0,69.59,2.0,5.55765581130981,0.0555555559694767,111.936904907227,0.0,11.0,0.0,0.0,3.49519896507263,0.205950379371643,12.3212280273438,-143.945541381836,12.3475112915039,0.020833333954215,0.242245644330978,616.426208496094,70.629,32.5844345092773,1.4627867937088,-15.7542486190796,7.66249656677246,0.0,0.111803397536278,45.5551605224609,0.766210317611694,6.97092723846436,0.0793735086917877,0.0,0.145718693733215,0.0,0.437546193599701,5.08245897293091,0.231343492865562,2.40399289131165,9.41078281402588,1.7229015827179
InChI%3D1S%2FC10H13Cl2FN2O2S2%2Fc1-8-4-6-9%287-5-8%2915%2818-10%2811%2C12%2913%2919%2816%2C17%2914%282%293%2Fh4-7H%2C1-3H3,0.372747480869293,1.37274444103241,13.6471900939941,5.0,0.333333343267441,5.0,334.159996032715,0.995562016963959,0.431366205215454,0.0,0.227638527750969,0.968832850456238,50.4519729614258,-0.24310927093029,3.98712563514709,260.777038574219,1790.22680664062,1.28463792800903,37.1067924499512,-346.567840576172,2063.91381835938,0.154716908931732,8.6912317276001,77.688591003418,-29.9905014038086,2894.41381835938,52.1278686523438,2880.67236328125,61.1453018188477,0.0,5.0,0.532911896705627,0.582071304321289,682.090026855469,0.708230018615723,34.969856262207,6.18549346016647,0.0227053333073854,4.79500520291363,2.86494064331055,2615.27783203125,1.56827390193939,3.56259989738464,11.9934272766113,0.00443796906620264,0.5,166.110290527344,0.501469135284424,1.57000005245209,220.75749206543,0.46708807349205,3.0,7.07732248306274,3.33321189880371,74.3000030517578,-0.62075138092041,28.9706916809082,0.0,-0.0537171736359596,0.934867918491364,1.0,3.81332755088806,0.263157894736842,555.826049804688,3.52311825752258,0.292157262563705,0.0,46.9362411499023,0.416964501142502,4.3952,0.97091519832611,-0.359250247478485,3.30192732810974,15.0265350341797,0.250029951334,5.65685415267944,0.0,83.4717025756836,4.77382040023804,0.0220525972545147,297.526733398438,5.46258783340454,94.1564254760742,-0.319171071052551,5.0,395.407501220703,8.59252643585205,0.0709913820028305,0.0,12.6764726638794,239.0,2.97250461578369,6.13445281982422,0.33913841843605,3.92145895957947,3.20499992370605,0.0,5.52895736694336,12.0,74.3,4.0,6.18549346923828,0.0833333358168602,145.592803955078,0.0,11.0,0.5,1.0,4.79500532150269,0.131445854902267,36.7496871948242,-193.490127563477,13.2579307556152,0.0277777779847383,0.145919770002365,741.975341796875,79.445,2.47773480415344,2.69251680374146,-16.7438087463379,7.40593099594116,0.0,0.326488703489304,42.6669731140137,0.792407631874084,7.9176812171936,0.0402003787457943,0.0,0.411673933267593,2.0,0.444030433893204,4.49834871292114,0.280433714389801,3.18651390075684,12.6921186447144,2.41595697402954
InChI%3D1S%2FC12H10%2Fc1-3-7-11%288-4-1%2912-9-5-2-6-10-12%2Fh1-10H,0.0925872400403023,0.320750147104263,9.41757488250732,0.0,1.0,10.0,144.131996154785,1.0,0.185185179114342,0.0,0.323712199926376,2.97782958114112e-06,12.0,-0.207649797201157,2.21360206604004,168.533325195312,707.348266601562,1.69595682621002,13.0,-104.502174377441,789.162780761719,1.34609317779541,7.20397043228149,16.0,-9.53142642974854,987.413391113281,14.0,853.910400390625,10.0,0.0,1.0,0.567270994186401,1.41056478023529,397.0,0.351746767759323,12.1501417160034,4.296875,0.0351202450692654,2.25,0.0,564.817626953125,0.0,2.41560006141663,11.8500003814697,0.0,0.428571432828903,86.0458984375,0.561149537563324,2.77999997138977,53.3543357849121,0.432728976011276,0.0,5.32717657089233,0.333333343267441,0.0,-0.268321514129639,10.9320697784424,0.0,-0.024473050609231,0.0833333358168602,0.75,3.21114253997803,0.0769230769230769,389.466217041016,2.55807828903198,0.235050097107887,0.0,15.9467515945435,0.0,3.3536,0.833333313465118,0.0,15.6903028488159,9.40057277679443,0.0,9.4902057647705,0.0,59.4714012145996,0.942809045314789,0.0,220.932891845703,1.5,25.3643741607666,0.0,1.0,136.99348449707,1.88561809062958,3.16199162853081e-07,0.0,13.6781482696533,140.0,0.38490018248558,6.63689851760864,0.57052755355835,0.5,3.91799998283386,0.0,0.513200223445892,0.0,0.0,0.0,4.296875,0.20412415266037,65.6380386352539,0.0,12.0,0.0,0.0,2.25,0.117851130664349,52.3995742797852,-40.700065612793,6.77350282669067,0.0641500279307365,0.0995416045188904,241.495651245117,51.878,0.0,0.16666667163372,-3.71216869354248,4.07136726379395,0.0,0.0,23.2095756530762,0.726038634777069,2.73205089569092,0.0320750139653683,0.0,0.0277777779847383,0.0,0.564279735088348,1.88091146945953,0.100572310388088,1.26120591163635,5.83512353897095,0.829344630241394
InChI%3D1S%2FC12H6Cl4O2S%2Fc13-7-1-3-8%284-2-7%2919%2817%2C18%2912-6-10%2815%299%2814%295-11%2812%2916%2Fh1-6H,0.208748668432236,1.36948323249817,11.1241569519043,2.0,4.86291837692261,12.0,350.008993148804,0.866501033306122,0.630745947360992,0.0,0.247083261609077,1.47396683692932,57.5277061462402,-0.218712121248245,2.27734732627869,422.776733398438,1811.25793457031,1.42373692989349,36.2593193054199,-477.378845214844,2128.53686523438,6.53431606292725,7.37284326553345,54.3958778381348,-51.9872207641602,3058.81372070312,71.5430374145508,3100.12768554688,63.2122230529785,0.0,2.0,0.342647731304169,3.11440372467041,334.070007324219,0.386901080608368,34.9720077514648,5.78,0.0300766099244356,3.19113573407202,0.0,2486.38891601562,0.0,2.96280002593994,11.9985237121582,0.133498951792717,0.5,141.73388671875,0.558989882469177,2.00999999046326,160.038986206055,0.657352268695831,4.0,12.4409847259521,2.16865420341492,42.5200004577637,-0.742250084877014,14.7152423858643,0.0,-0.0808320641517639,0.814938127994537,1.0,5.19205951690674,0.1,557.290954589844,4.00021934509277,0.204720884561539,0.0,31.0145854949951,0.269040733575821,6.2138,1.21674132347107,-0.0588252022862434,4.67853116989136,13.3705997467041,-0.0105730900540948,12.8784227371216,0.0,88.0734024047852,4.73345041275024,-0.0523757971823215,220.374221801758,6.60638332366943,66.8874206542969,-0.0357447862625122,2.0,248.835800170898,9.3353271484375,0.132501438260078,0.0,19.3438014984131,294.0,2.61526226997375,6.24758434295654,0.520463943481445,3.14166283607483,2.80200004577637,0.0,4.27630472183228,3.0,42.52,2.0,5.78000020980835,0.138888895511627,271.909271240234,0.0,15.0,0.5,0.0,3.19113564491272,0.319444447755814,-202.402526855469,-307.026672363281,12.6832818984985,0.0486111119389534,0.19281043112278,726.214660644531,78.42,85.859977722168,1.2711638212204,-33.4356307983398,7.31895685195923,0.0,0.0361295826733112,71.3310165405273,0.538249254226685,6.39008474349976,0.144516557455063,0.0,0.344117164611816,2.0,0.344283103942871,4.74743032455444,0.184768676757812,3.12286019325256,8.77818393707275,2.29146075248718
InChI%3D1S%2FC2H4N4%2Fc3-2-4-1-5-6-2%2Fh1H%2C%28H3%2C3%2C4%2C5%2C6%29,0.159928798675537,0.0,3.74318742752075,2.0,0.0,0.0,80.0499992370605,0.730202555656433,0.0,0.0,0.213274791836739,0.238547280430794,7.43995237350464,-0.319627285003662,1.19247436523438,102.347198486328,212.850067138672,1.28642296791077,7.19091415405273,-98.466941833496,221.123748779297,16.4829616546631,2.3121657371521,8.77232265472412,-26.1098384857178,248.555191040039,2.52617335319519,56.8419914245605,0.0,0.0,0.0,0.678702533245087,8.46734428405762,114.040000915527,0.652971088886261,14.1031160354614,1.63265306122449,0.09063059091568,0.979591836734694,0.0,0.0,0.0,-0.884400010108948,11.9989995956421,0.269797414541245,0.333333343267441,68.8678894042969,0.465755730867386,1.24000000953674,66.2569198608398,0.321297466754913,0.0,9.1962776184082,0.288675129413605,59.939998626709,-0.309116214513779,7.21924209594727,1.88988161087036,-0.0819663405418396,0.0,0.5,1.12993609905243,0.0,232.601226806641,0.288675129413605,0.318571895360947,0.0,3.59322094917297,0.143685355782509,-0.7827,0.0,-0.117957346141338,0.0,6.59975957870483,0.0580769814550877,0.5,0.0,18.7336006164551,0.40824830532074,-0.0119623141363263,216.196228027344,0.433012694120407,7.99413061141968,0.0,0.0,207.999649047852,0.0,0.0637283846735954,0.0,28.8697776794434,29.0,0.0754441767930984,4.82612133026123,0.485329538583755,0.0662912577390671,0.347000002861023,0.144337564706802,0.0,0.0,68.32,4.0,1.63265311717987,0.144337564706802,32.6020278930664,0.0441941730678082,5.0,0.0,0.0,0.979591846466064,0.0,113.849029541016,-31.3659954071045,3.20710682868958,0.0220970865339041,0.288775503635406,306.466583251953,18.7931,85.9421920776367,0.0625,-8.31711673736572,1.70710682868958,0.0,0.0,54.9796142578125,0.610322535037994,1.03033006191254,0.0,0.0,0.0,0.0,0.335337728261948,0.566941738128662,0.196890890598297,0.309359222650528,0.782163381576538,0.0441941730678082
InChI%3D1S%2FC20H23NO3%2Fc1-14-9-8-10-15%282%2919%2814%2921%2816%283%2920%2823%2924-4%2918%2822%2913-17-11-6-5-7-12-17%2Fh5-12%2C16H%2C13H2%2C1-4H3,0.279263526201248,0.862528026103973,14.803882598877,4.0,7.93769073486328,9.0,302.223992347717,0.907000541687012,0.442169219255447,0.0,0.17530457675457,1.41005313396454,26.6833953857422,-0.317828595638275,4.99895095825195,183.762344360352,1609.12536621094,1.3241058588028,26.8269233703613,-323.342224121094,1857.9052734375,1.81526005268097,8.39487838745117,37.1551361083984,-22.8373374938965,2543.49389648438,41.9304084777832,2769.869140625,42.9856605529785,0.0,7.0,0.704864084720612,0.179624795913696,1752.0400390625,1.24025583267212,15.9969310760498,9.62975778546713,0.0355251990258694,5.25,5.97701930999756,2663.30249023438,8.3903112411499,2.36260008811951,11.8900003433228,0.0929994583129883,0.5,273.258911132812,0.460965305566788,3.22000002861023,480.817443847656,0.295135915279388,0.0,13.7722692489624,1.56160545349121,46.6100006103516,-0.519311487674713,30.9557609558105,0.0,-0.0366784520447254,0.472972095012665,1.0,6.57124948501587,0.28,564.731506347656,4.93246650695801,0.337678372859955,0.0,60.8516006469727,0.47928249835968,3.4406,1.69267928600311,-0.287081509828568,9.75809478759766,11.7425565719604,0.0442177765071392,15.8459873199463,0.0,101.783798217773,3.85157823562622,0.105088397860527,438.8740234375,6.32007503509521,134.829193115234,-0.207697778940201,7.0,772.228332519531,9.33304405212402,0.0952488705515862,1.0,22.1192817687988,393.0,1.55912888050079,4.81326770782471,0.429058700799942,2.27691268920898,2.67199993133545,0.0,2.77243638038635,10.0,46.61,4.0,9.62975788116455,0.170103460550308,114.417121887207,0.0,9.0,0.200000002980232,0.0,5.25,0.24753525853157,255.111663818359,-201.324615478516,14.5752172470093,0.0561312772333622,0.180568277835846,1095.57055664062,95.026,57.9048461914062,0.768739402294159,-14.2193565368652,7.95386600494385,0.63245552778244,0.0,44.9566192626953,0.780230820178986,5.86566495895386,0.081551268696785,0.0,0.153112486004829,2.0,0.434081852436066,4.0768575668335,0.158657923340797,2.85160541534424,5.58187866210938,1.75979053974152
InChI%3D1S%2FC16H23N3OS%2Fc1-12%282%2919-14%2817-16%283%2C4%295%2921-11-18%2815%2819%2920%2913-9-7-6-8-10-13%2Fh6-10%2C12H%2C11H2%2C1-5H3,0.288849323987961,1.34954237937927,16.5874156951904,5.0,2.38110160827637,6.0,282.26299571991,0.94030249118805,0.770153105258942,0.0,0.276772111654282,1.65481555461884,28.9821853637695,-0.261359572410583,3.2822163105011,153.234252929688,1690.65942382812,1.44131469726562,27.0011444091797,-222.470001220703,1966.28369140625,0.126817852258682,11.6503829956055,41.3305969238281,-13.8781080245972,2764.02197265625,41.669361114502,2840.16064453125,52.1485710144043,0.0,3.0,0.758308947086334,2.47084355354309,1605.05004882812,1.10093522071838,31.9720726013184,7.05078125,0.0340720862150192,4.48753462603878,4.09751462936401,2676.76123046875,5.34176588058472,2.56389999389648,11.8500003814697,0.0596974901854992,0.5,304.815216064453,0.483400851488113,2.67000007629395,442.539703369141,0.241691082715988,0.0,13.695858001709,2.66697072982788,,-0.350894212722778,33.6617622375488,0.0,-0.0218894593417645,0.377425491809845,1.0,5.98008966445923,0.136363636363636,596.160034179688,4.33900594711304,0.197873875498772,1.0,62.9497756958008,0.344526380300522,4.1851,1.81222486495972,-0.317677438259125,6.94562911987305,12.2252826690674,0.348924964666367,6.86852598190308,0.0,93.1490020751953,3.36804533004761,-0.321390956640244,480.774475097656,6.18960809707642,142.815811157227,0.138178169727325,3.0,698.002502441406,8.21323013305664,0.0997633188962936,0.0,21.6020011901855,328.0,1.69068372249603,6.00845670700073,0.4434554874897,3.02158188819885,2.43300008773804,0.0,3.72413420677185,5.0,61.21,4.0,7.05078125,0.157617628574371,97.15185546875,0.0,12.0,0.0,1.0,4.48753452301025,0.217914864420891,327.540222167969,-141.047927856445,14.1458425521851,0.0753762871026993,0.179410561919212,920.472534179688,85.5184,37.8487319946289,1.81046080589294,-8.79884243011475,8.16397380828857,0.0,0.223606795072556,35.480110168457,0.810596764087677,7.26056241989136,0.0980376005172729,0.0,0.152476251125336,1.0,0.514458298683167,3.91461849212646,0.198905199766159,3.3371479511261,6.57358312606812,2.27676701545715
InChI%3D1S%2FC10H19ClNO5P%2Fc1-6-12%287-2%2910%2813%299%2811%298%283%2917-18%2814%2C15-4%2916-5%2Fh6-7H2%2C1-5H3,0.458108216524124,0.260260671377182,11.4975652694702,6.0,2.38110160827637,2.0,280.538994789124,0.740847170352936,0.0721140950918198,0.0,0.243460521101952,1.57457423210144,35.5955009460449,-0.319395214319229,2.35819816589355,207.9765625,817.845947265625,1.47365438938141,30.5196666717529,-373.622161865234,885.219299316406,1.10807359218597,7.56479263305664,38.3351058959961,-38.7390098571777,1123.98132324219,44.899040222168,1202.4013671875,40.577320098877,1.5,8.0,0.649514615535736,3.91433334350586,990.080017089844,1.16682875156403,34.9688529968262,8.22684310018904,0.0429828725755215,5.26748971193416,2.53247833251953,1037.49133300781,4.07289791107178,1.00569999217987,11.9962491989136,0.259152859449387,0.444444447755814,228.706130981445,0.53397411108017,1.67999994754791,410.862060546875,0.350485414266586,1.0,15.135066986084,1.71404576301575,74.879997253418,-0.629634022712708,38.3149337768555,0.0,-0.0652835965156555,0.343418926000595,0.800000011920929,3.48164176940918,0.470588235294118,439.615570068359,1.70899748802185,0.205104142427444,0.0,33.4637641906738,0.790020704269409,2.7426,0.34145912528038,-0.699491560459137,0.5,9.9839448928833,0.554194211959839,2.0800838470459,1.0,69.9196014404297,4.03797245025635,-0.275440156459808,385.419219970703,5.15534400939941,73.0505981445312,0.0548286810517311,8.0,692.391296386719,5.29368352890015,0.136948496103287,3.0,25.5058555603027,236.0,1.36288523674011,3.3543438911438,0.475385308265686,1.47910904884338,1.07700002193451,0.0,1.45696127414703,18.0,74.88,6.0,8.22684288024902,0.0,123.412406921387,0.0,10.0,0.16666667163372,0.0,5.26748991012573,0.0,177.442657470703,-221.705810546875,12.2077178955078,0.0,0.159461587667465,1066.01342773438,69.1905,153.780212402344,0.583911240100861,-22.9875640869141,6.15796089172363,1.85314404964447,0.0186432246118784,64.2448654174805,0.724463045597076,4.08172750473022,0.0,0.0,0.106562986969948,2.0,0.464294999837875,3.01976370811462,0.254984200000763,1.50707244873047,1.01143252849579,0.703836143016815
InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3,0.175847336649895,0.23871710896492,7.38752269744873,4.0,1.65096366405487,5.0,176.086996078491,1.0,0.0595029816031456,,0.239328980445862,0.168770268559456,16.8178520202637,-0.275286048650742,2.3988471031189,240.448867797852,520.869018554688,1.25049960613251,15.5462341308594,-156.392044067383,590.211669921875,8.66079711914062,4.81990528106689,21.5420475006104,-24.4829006195068,780.119567871094,21.4876613616943,712.9287109375,18.0132789611816,0.0,2.0,0.390831053256989,0.604231178760529,205.059997558594,0.254203170537949,16.0169982910156,4.48148148148148,0.0192850716412067,2.72108843537415,1.14471423625946,442.694610595703,1.5,0.548799991607666,11.9989995956421,0.0,0.5,60.8918228149414,0.52132660150528,1.57000005245209,39.6050796508789,0.609168946743011,0.0,3.00463151931763,1.20511829853058,68.2799987792969,-0.396213889122009,9.0712423324585,0.0,-0.0620265901088715,0.398974478244781,1.0,2.92551803588867,0.153846153846154,394.716217041016,2.08057975769043,0.324716061353683,,12.7805261611938,0.115718580782413,2.8578,0.481853455305099,0.00488941185176373,1.65096366405487,8.25090026855469,-0.00726375402882695,5.85380077362061,,11.273699760437,2.49942326545715,-0.00685753207653761,154.267349243164,3.04623436927795,22.1194076538086,-0.0708917006850243,2.0,100.338119506836,3.673011302948,0.0228453148156404,,7.61213064193726,123.0,0.642356038093567,3.59882807731628,0.509990632534027,0.643627762794495,2.68199992179871,0.0,0.635187149047852,2.0,91.64,0.0,4.48148155212402,0.0680413842201233,94.909065246582,0.0,12.0,1.44224953651428,,2.72108840942383,0.146608799695969,-86.181510925293,-61.7304763793945,6.75947093963623,0.0240562614053488,0.194819450378418,256.730163574219,48.823,0.0,0.357958495616913,-9.66379737854004,3.41554427146912,0.0,0.0,32.0950317382812,0.547506332397461,2.48500919342041,0.0455728359520435,,0.0604486875236034,,0.219182327389717,1.60023438930511,0.202244848012924,0.908044517040253,0.301181435585022,0.545857548713684
InChI%3D1S%2FC12H9Cl2NO3%2Fc1-3-12%282%2910%2816%2915%2811%2817%2918-12%299-5-7%2813%294-8%2814%296-9%2Fh3-6H%2C1H2%2C2H3,0.352806448936462,0.687051653862,12.1572456359863,4.0,3.78929138183594,7.0,277.041993141174,0.821601331233978,0.300581455230713,0.0,0.31653219461441,1.04957461357117,36.1089019775391,-0.349143147468567,1.92437660694122,300.201873779297,1218.90148925781,1.40078091621399,24.7303981781006,-422.885162353516,1439.32897949219,1.53413701057434,9.18329429626465,41.0687408447266,-44.0769271850586,2083.60327148438,42.2349891662598,1987.9072265625,46.5964393615723,0.0,2.0,0.432874858379364,2.22047638893127,478.059997558594,0.609777569770813,34.9698524475098,5.17479191438763,0.0273481886833906,2.65927977839335,1.89521038532257,1607.66259765625,2.28830480575562,2.34859991073608,11.9885320663452,0.178398668766022,0.5,121.291763305664,0.58733856678009,2.11999988555908,170.860000610352,0.567125141620636,2.0,7.66297674179077,2.06008291244507,,-0.798891842365265,16.4908638000488,0.0,-0.0832677483558655,0.508714139461517,1.0,5.67758846282959,0.105263157894737,434.906219482422,3.71452355384827,0.158290505409241,0.0,29.3304462432861,0.511789619922638,3.4863,1.28520858287811,-0.339242994785309,1.79389321804047,10.4792003631592,0.205278247594833,8.26637077331543,0.0,71.6328964233398,4.36548757553101,-0.179456248879433,229.137847900391,7.37328433990479,60.0358963012695,0.167134791612625,2.0,322.779479980469,9.29910278320312,0.0863332524895668,1.0,14.4764823913574,232.0,1.50785207748413,4.90685224533081,0.466663151979446,2.03949403762817,2.18799996376038,0.0680413842201233,2.04670238494873,2.0,46.61,4.0,5.17479181289673,0.359561771154404,158.908767700195,0.0228217728435993,12.0,0.25,0.0,2.65927982330322,0.773125171661377,-71.0640106201172,-223.849914550781,10.9562530517578,0.0900989770889282,0.200257673859596,745.664611816406,65.8312,94.4335021972656,1.01448941230774,-23.3316688537598,5.80018472671509,0.81649661064148,0.0589255653321743,58.553409576416,0.905476570129395,4.82022571563721,0.161493748426437,0.0,0.0951062366366386,2.0,0.346779137849808,3.0411159992218,0.250377357006073,2.11012005805969,5.51592206954956,1.15123641490936
InChI%3D1S%2FC10H10O4%2Fc1-13-9%2811%297-5-3-4-6-8%287%2910%2812%2914-2%2Fh3-6H%2C1-2H3,0.294823497533798,0.255171269178391,9.83073902130127,4.0,3.96540641784668,4.0,184.105995178223,0.796287357807159,0.105044350028038,0.0,0.17295740544796,0.577888965606689,17.0978755950928,-0.346024066209793,3.70887160301208,160.901550292969,651.363159179688,1.4746470451355,15.9925518035889,-220.219711303711,729.574279785156,2.39322185516357,5.54397869110107,20.8773059844971,-28.7450065612793,945.051940917969,23.3209190368652,945.112548828125,21.9851036071777,0.200000002980232,4.0,0.642979145050049,0.080995500087738,394.040008544922,0.880020618438721,15.9992876052856,5.77777777777778,0.0363355875015259,2.99432892249527,1.61641240119934,727.098876953125,2.41710042953491,1.03460001945496,11.9962491989136,0.203712642192841,0.428571432828903,130.596069335938,0.556536734104156,2.11999988555908,178.741775512695,0.357020884752274,0.0,7.38015365600586,0.743570029735565,52.5999984741211,-0.488640636205673,16.6800708770752,0.0,-0.0637816563248634,0.248005643486977,0.75,3.2067391872406,0.285714285714286,358.869384765625,2.44273996353149,0.377272933721542,0.0,25.9090251922607,0.562051951885223,1.2598,0.625942349433899,-0.391043871641159,3.96540641784668,9.19657230377197,0.231138527393341,6.87156677246094,0.0,52.4924011230469,2.08355402946472,-0.0625985562801361,289.776702880859,3.09615325927734,47.6222610473633,-0.306934177875519,4.0,396.606170654297,4.18144035339355,0.0587838776409626,2.0,16.375659942627,148.0,0.529799103736877,4.60173416137695,0.604129612445831,0.661310255527496,0.94599997997284,0.0,0.67640632390976,4.0,52.6,4.0,5.77777767181396,0.0833333358168602,72.5148239135742,0.0,12.0,0.200000002980232,0.0,2.99432897567749,0.096225045621395,128.87516784668,-99.2482376098633,7.9423942565918,0.0277777779847383,0.230232909321785,616.825866699219,49.121,91.808853149414,0.227670907974243,-12.9547491073608,3.96034336090088,1.26491105556488,0.0,45.1206665039062,0.55915629863739,2.52874708175659,0.0277777779847383,0.0,0.0448895953595638,2.0,0.313980787992477,1.73768270015717,0.214623674750328,1.05902874469757,1.07039713859558,0.636608183383942
InChI%3D1S%2FC19H25NO4%2Fc1-11%282%299-14-15%2819%2814%2C3%294%2918%2823%2924-10-20-16%2821%2912-7-5-6-8-13%2812%2917%2820%2922%2Fh9%2C14-15H%2C5-8%2C10H2%2C1-4H3,0.267159193754196,1.26147377490997,18.5069046020508,5.0,8.0873851776123,1.0,306.211992263794,0.841832280158997,0.640010058879852,0.0,0.276629120111465,1.86448609828949,27.4578647613525,-0.298735082149506,3.64738488197327,161.193466186523,1557.65991210938,1.52219021320343,28.1590156555176,-288.852478027344,1870.37451171875,0.256239384412766,12.9950332641602,41.0956039428711,-28.1256866455078,2529.75952148438,42.4799346923828,2348.41088867188,41.3605308532715,0.0,5.0,0.750355958938599,0.449831783771515,2049.05004882812,1.3446090221405,15.9979362487793,6.9575,0.0285178516060114,3.24107142857143,3.21778392791748,1987.71032714844,6.70091533660889,0.97630000114441,11.8900003433228,0.158167704939842,0.5,312.838287353516,0.559158444404602,3.0,560.594116210938,0.249644011259079,0.0,11.8896579742432,2.5618588924408,,-0.447352439165115,34.1001739501953,0.0,-0.0435588955879211,0.651942789554596,1.0,7.35265398025513,0.192307692307692,543.565490722656,5.57721090316772,0.197082385420799,0.0,78.4274444580078,0.584840416908264,2.9028,2.07975745201111,-0.402944058179855,4.20253658294678,9.89323616027832,0.391086637973785,12.2891416549683,0.0,87.4697036743164,5.07075834274292,-0.524561107158661,484.499816894531,8.04023265838623,185.307052612305,0.385595083236694,5.0,868.205017089844,10.8286571502686,0.100745432078838,1.0,18.4137859344482,489.0,2.71335363388062,5.03371953964233,0.450149267911911,3.20906567573547,3.19700002670288,0.560343742370605,3.76379776000977,4.0,63.68,5.0,6.95749998092651,1.28804743289948,104.08154296875,0.435180127620697,7.0,0.57235711812973,0.0,3.48559665679932,1.81203305721283,323.306365966797,-186.510101318359,14.8477916717529,0.656768620014191,0.166620895266533,1157.05749511719,86.2782,102.127822875977,1.77415037155151,-18.1605663299561,8.64708709716797,0.94494080543518,0.16666667163372,46.5394706726074,0.715419352054596,7.86386108398438,0.746890723705292,0.0,0.28924697637558,3.0,0.51288253068924,5.32120132446289,0.148996785283089,3.65830731391907,0.953161716461182,2.60080742835999
InChI%3D1S%2FC16H22O4%2Fc1-3-5-11-19-15%2817%2913-9-7-8-10-14%2813%2916%2818%2920-12-6-4-2%2Fh7-10H%2C3-6%2C11-12H2%2C1-2H3,0.295126080513,0.51934140920639,20.4674491882324,4.0,3.96540641784668,4.0,256.171993255615,0.883190751075745,0.285608470439911,,0.215577676892281,0.831095933914185,23.0978755950928,-0.312769204378128,6.93076992034912,176.184326171875,1005.46380615234,1.35444664955139,21.9925518035889,-292.212341308594,1093.39733886719,3.13705563545227,12.7055835723877,27.5414905548096,-26.0701637268066,1343.42150878906,29.9851036071777,1391.48449707031,31.3134708404541,0.200000002980232,10.0,0.738792777061462,0.735878825187683,1384.0400390625,1.22533237934113,15.9979305267334,10.6875,0.0306770578026772,6.54934601664685,3.55308365821838,1276.85510253906,1.24957597255707,-0.196199998259544,11.8900003433228,0.116809248924255,0.461538463830948,336.114105224609,0.541469812393188,2.77999997138977,557.465515136719,0.26120725274086,0.0,13.9565410614014,0.743570029735565,52.5999984741211,-0.433227986097336,29.7985534667969,0.0,-0.0386510863900185,0.248005643486977,0.857142865657806,4.46201848983765,0.5,595.712280273438,3.31807971000671,0.338624000549316,0.0,104.379165649414,0.545336365699768,3.6004,1.24196720123291,-0.363818198442459,10.3424243927002,9.60919380187988,0.193818584084511,11.9466505050659,,73.9672012329102,1.94548285007477,-0.032525472342968,498.315826416016,3.09814167022705,198.032485961914,-0.324566423892975,10.0,826.486877441406,4.37448453903198,0.0406057424843311,,20.6916809082031,370.0,0.505391359329224,4.91119718551636,0.407496422529221,0.659422278404236,3.64599990844727,0.0,0.714704036712646,7.0,52.6,4.0,10.6875,0.0833333358168602,118.836357116699,0.0,12.0,0.200000002980232,,6.54934597015381,0.096225045621395,322.131500244141,-197.097274780273,12.1850347518921,0.0277777779847383,0.18797579407692,1118.69921875,76.823,78.7878570556641,0.227670907974243,-17.5843296051025,7.13541078567505,1.26491105556488,0.0,46.7618446350098,0.671923458576202,4.52452898025513,0.0277777779847383,,0.0448895953595638,,0.405480414628983,2.82898664474487,0.177267998456955,1.61302578449249,0.0384944416582584,0.969862282276154
InChI%3D1S%2FC9H12%2Fc1-8%282%299-6-4-3-5-7-9%2Fh3-8H%2C1-2H3,0.0902036130428314,0.165337100625038,6.81743383407593,0.0,1.0,5.0,108.098997116089,1.0,0.0740740746259689,,0.242365628480911,0.91247695684433,9.0,-0.209916934370995,1.4293966293335,90.5406646728516,469.146789550781,1.25754880905151,9.0,-43.910530090332,497.826446533203,1.72556531429291,4.47556018829346,11.0,-5.47527122497559,589.866333007812,9.0,456.686920166016,5.0,0.0,1.0,0.744309604167938,1.69221341609955,369.0,0.360976219177246,12.1500968933105,3.2396694214876,0.0305588394403458,2.0,2.68246150016785,221.348648071289,2.82842707633972,1.78069996833801,11.8500003814697,0.0,0.400000005960464,93.3280563354492,0.555425465106964,2.45000004768372,45.2623596191406,0.255690395832062,0.0,3.83173489570618,0.5,0.0,-0.124005049467087,13.118483543396,0.0,-0.0154623799026012,0.16666667163372,0.666666686534882,1.80083346366882,0.111111111111111,354.102752685547,1.25044357776642,0.209667846560478,,11.7854871749878,0.00105927919503301,2.81,0.235702261328697,-0.000127162595163099,6.08364343643188,8.75838088989258,-0.000321628234814852,4.74510288238525,,44.0035018920898,1.04044008255005,-7.63912903494202e-05,263.562072753906,1.05473780632019,24.440357208252,-4.38154120274703e-06,1.0,127.822677612305,1.04044008255005,0.133844643831253,,10.8209686279297,69.0,0.636894524097443,6.0753436088562,0.409288108348846,0.51089733839035,3.44199991226196,0.0,0.42459636926651,3.0,0.0,0.0,3.23966932296753,0.102062076330185,32.0606994628906,0.0,6.0,0.0,,2.0,0.0589255653321743,173.021408081055,-15.5488386154175,5.96410179138184,0.0320750139653683,0.127306953072548,171.733200073242,40.531,0.0,0.38490018248558,-1.93880867958069,3.35405921936035,0.0,0.0,16.2962398529053,0.846303284168243,2.56538414955139,0.0185185186564922,,0.096225045621395,,0.292835235595703,1.46623921394348,0.127917096018791,0.837939083576202,3.17089247703552,0.478822350502014
InChI%3D1S%2FC14H17ClNO4PS2%2Fc1-3-19-21%2822%2C20-4-2%2923-12%289-15%2916-13%2817%2910-7-5-6-8-11%2810%2914%2816%2918%2Fh5-8%2C12H%2C3-4%2C9H2%2C1-2H3,0.316858053207397,3.0725269317627,15.3172044754028,7.0,5.67623996734619,4.0,376.71799659729,0.872380137443542,1.9056715965271,1.0,0.183120578527451,1.90124773979187,52.0765380859375,-0.349189281463623,4.57036161422729,234.882583618164,1765.87768554688,1.35072481632233,46.0888442993164,-441.151519775391,2082.0078125,1.78468489646912,8.84559535980225,64.5331802368164,-34.2093772888184,2937.23388671875,70.0726699829102,3078.14526367188,77.1226654052734,0.5,8.0,0.657296657562256,0.746004581451416,1175.08996582031,1.23452067375183,34.9688529968262,8.39273356401384,0.0345209501683712,4.15879017013232,2.38097977638245,2891.2958984375,1.4485410451889,3.20600008964539,11.9884958267212,0.127619847655296,0.5,308.763793945312,0.511518597602844,2.00999999046326,579.913635253906,0.342703372240067,1.0,16.2161464691162,1.8616201877594,,-0.643658220767975,33.0725173950195,0.0,-0.0499128885567188,0.396546006202698,1.0,7.12392711639404,0.333333333333333,597.913330078125,5.01232719421387,0.29838091135025,0.0,65.9346237182617,0.660801112651825,4.4667,2.10454869270325,-0.436413943767548,4.79883480072021,12.9021329879761,0.348392695188522,10.4794273376465,1.0,99.8277969360352,4.20811891555786,-0.323000848293304,450.499053955078,7.82165241241455,158.114654541016,0.0578402876853943,8.0,846.117797851562,10.2687397003174,0.124124981462955,2.0,23.6600246429443,370.0,4.62140369415283,5.35171270370483,0.425738871097565,8.11710739135742,3.19300007820129,0.0641500279307365,9.18538093566895,12.0,123.04,5.0,8.39273357391357,0.339392274618149,160.984222412109,0.0279508493840694,11.0,0.25,1.0,4.15879011154175,0.61687445640564,215.616455078125,-302.357147216797,16.0133018493652,0.0990118458867073,0.171221300959587,1287.26928710938,94.5842,87.4682998657227,2.71467137336731,-23.4464797973633,11.7314939498901,0.666666686534882,0.335410207509995,57.8694038391113,0.696223318576813,11.2075834274292,0.149724587798119,0.0,0.129439666867256,2.0,0.413467288017273,9.11801624298096,0.128920406103134,8.16128063201904,10.2784357070923,5.38505029678345
InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H,0.171827271580696,0.383553832769394,5.86912631988525,1.0,9.1254653930664,6.0,265.329993247986,0.850539922714233,0.0962037816643715,,0.162481740117073,4.78273811665986e-08,51.3382377624512,-0.356198877096176,2.64124965667725,314.313659667969,991.575927734375,1.15893375873566,22.0907783508301,-308.920257568359,1146.26867675781,10.0623168945312,3.22787666320801,38.1815567016602,-45.800163269043,1599.27185058594,77.8965454101562,1551.85754394531,58.8057632446289,0.0,0.0,0.176012992858887,6.47083139419556,37.060001373291,0.172992751002312,34.9729766845703,3.39506172839506,0.0293107107281685,1.5625,0.0,752.326538085938,0.0,2.68379998207092,11.9985628128052,0.149460092186928,0.200000002980232,25.611234664917,0.489688515663147,1.46000003814697,25.1717643737793,0.823987007141113,5.0,4.26493215560913,1.15470051765442,20.2299995422363,-0.809848010540009,3.19320702552795,0.0,-0.12006713449955,0.666666686534882,0.25,2.87293410301208,0.0,324.4423828125,1.65868926048279,0.450024336576462,,8.5256290435791,0.226349651813507,4.6592,0.222222223877907,-0.00179769203532487,0.0,11.1922044754028,-0.111216224730015,0.0,,56.1422996520996,3.64273452758789,-0.0553342513740063,67.1409759521484,4.97606754302979,14.3947553634644,-4.31625630881172e-06,0.0,65.988883972168,7.01965713500977,8.14897749279453e-09,,11.1807069778442,102.0,2.30384564399719,6.18343162536621,0.430033683776855,2.87501883506775,3.61999988555908,0.0,3.63859963417053,0.0,20.23,0.0,3.3950617313385,0.0370370373129845,119.89640045166,0.0,7.0,0.0,,1.5625,0.222222223877907,-247.17268371582,-117.839065551758,9.11668109893799,0.015625,0.362385421991348,374.909149169922,53.1568,57.0122413635254,0.764585077762604,-17.4706840515137,4.55834054946899,0.0,0.0,56.9808692932129,0.395747035741806,3.80834031105042,0.0955731347203255,,0.384815126657486,,0.23921149969101,3.44343066215515,0.221260190010071,1.72171533107758,7.20278263092041,0.860857665538788
InChI%3D1S%2FC19H23ClN2O2S%2Fc1-2-3-4-5-6-10-13-25-19%2823%2924-16-14-17%2820%2921-22-18%2816%2915-11-8-7-9-12-15%2Fh7-9%2C11-12%2C14H%2C2-6%2C10%2C13H2%2C1H3,0.327002555131912,1.32538497447968,24.964075088501,5.0,4.30178546905518,8.0,355.740993499756,0.95341968536377,0.808563590049744,0.0,0.291037112474442,2.70564675331116,41.1094207763672,-0.266990154981613,4.2497730255127,250.816146850586,1626.1875,1.53727340698242,32.9799423217773,-407.559967041016,1790.07751464844,1.3375483751297,18.0086536407471,45.446174621582,-26.9147243499756,2224.16064453125,42.7784309387207,2254.20166015625,44.2700233459473,0.0,11.0,0.659609973430634,1.77161860466003,1801.06005859375,1.07182335853577,34.9688529968262,12.3984375,0.0300332959741354,8.04432132963989,1.97805309295654,2111.78051757812,0.434940010309219,1.0974999666214,11.8500003814697,0.046580333262682,0.5,358.133178710938,0.664770245552063,2.89000010490417,581.943176269531,0.340390026569366,1.0,16.3064842224121,1.04676640033722,,-0.553111732006073,32.0377616882324,1.0,-0.0365267693996429,0.136082768440247,1.0,6.06066131591797,0.423076923076923,702.526611328125,4.75929832458496,0.170235559344292,0.0,136.756134033203,0.371731102466583,6.3895,2.07538032531738,-0.22589910030365,15.3729782104492,10.3049049377441,0.0709676966071129,13.3140439987183,0.0,95.372200012207,2.0790114402771,-0.0253239423036575,486.033142089844,3.39598774909973,368.790649414062,0.0204473026096821,11.0,789.772338867188,4.77781057357788,0.108381621539593,1.0,22.130012512207,644.0,0.696404218673706,5.14125823974609,0.471906095743179,0.91174066066742,7.46600008010864,0.0,1.05323600769043,12.0,77.38,3.0,12.3984375,0.170103460550308,184.813705444336,0.0,15.0,0.0,1.0,8.04432106018066,0.214363172650337,235.216995239258,-300.310272216797,15.9834108352661,0.0465087704360485,0.164218008518219,1197.33227539062,104.336,34.3226852416992,0.446607679128647,-19.8320960998535,10.0000715255737,0.5,0.0,49.044734954834,0.632677853107452,7.13174057006836,0.0455132834613323,0.0,0.0318100564181805,1.0,0.40059706568718,4.68397998809814,0.201191753149033,3.18412828445435,1.20450627803802,2.14270162582397
InChI%3D1S%2FC17H21NO2%2Fc1-4-18%285-2%2917%2819%2913%283%2920-16-12-8-10-14-9-6-7-11-15%2814%2916%2Fh6-13H%2C4-5H2%2C1-3H3,0.231952771544456,0.606803238391876,13.5457763671875,3.0,4.50879764556885,8.0,250.191993713379,0.945466816425323,0.360864609479904,0.0,0.214125037193298,2.09379363059998,21.9089260101318,-0.332817196846008,3.06940412521362,159.229675292969,1244.41906738281,1.42628991603851,22.4948310852051,-218.874206542969,1415.408203125,0.372265934944153,8.38257884979248,30.7124824523926,-15.0731754302979,1886.74060058594,34.4866714477539,1945.18884277344,29.8229217529297,0.0,6.0,0.724760353565216,0.0954827591776848,1384.03002929688,0.99624240398407,15.9959239959717,7.85204081632653,0.0300745666027069,4.02337472607743,4.75412082672119,1607.04577636719,3.60365414619446,1.31169998645782,11.8500003814697,0.0545331835746765,0.5,242.560775756836,0.542519629001617,3.0,333.419616699219,0.275239616632462,0.0,10.0652713775635,1.06423509120941,29.5400009155273,-0.378339350223541,27.8113460540771,0.0,-0.0260550379753113,0.368390560150146,1.0,5.5533618927002,0.285714285714286,546.964782714844,3.96349763870239,0.226594924926758,0.0,49.7076110839844,0.351166874170303,3.4755,1.69774210453033,-0.18556934595108,9.66308879852295,9.94801425933838,-0.0768917500972748,14.1664810180664,0.0,86.7435989379883,3.0638473033905,0.173260554671288,419.283233642578,4.69571876525879,117.125694274902,-0.0799171626567841,6.0,576.339111328125,6.01356649398804,0.154571682214737,1.0,17.3985252380371,327.0,1.15595817565918,5.25433588027954,0.514335989952087,1.55945336818695,2.8840000629425,0.0,1.59715485572815,10.0,29.54,2.0,7.85204076766968,0.151374712586403,92.1164245605469,0.0,11.0,0.0,0.0,4.02337455749512,0.251375645399094,260.053558349609,-126.621551513672,12.2967262268066,0.0518340393900871,0.242067709565163,795.213256835938,81.966,31.5481510162354,0.496786832809448,-8.72002696990967,7.10161924362183,0.333333343267441,0.0,32.4717025756836,0.684250235557556,4.74789190292358,0.0675251036882401,0.0,0.0889354944229126,1.0,0.369434297084808,3.47625875473022,0.168674886226654,2.33170771598816,1.72055685520172,1.35410368442535
InChI%3D1S%2FC21H22ClNO4%2Fc1-25-19-8-5-16%2813-20%2819%2926-2%2918%2815-3-6-17%2822%297-4-15%2914-21%2824%2923-9-11-27-12-10-23%2Fh3-8%2C13-14H%2C9-12H2%2C1-2H3,0.227300494909286,1.13411295413971,19.5889434814453,5.0,6.64349460601807,11.0,365.686990737915,0.881504476070404,0.695627570152283,0.0,0.260687857866287,1.39123392105103,38.1706161499023,-0.378121942281723,4.85926198959351,217.205581665039,1862.4814453125,1.26019275188446,33.7749366760254,-440.763671875,2163.16943359375,4.06359004974365,13.3384475708008,46.2801399230957,-39.3554840087891,2951.74438476562,49.722240447998,3135.26538085938,44.6050262451172,0.434126824140549,6.0,0.703784883022308,0.168985530734062,1899.06005859375,1.4281530380249,34.9688529968262,10.6837606837607,0.0412651039659977,5.75778546712803,3.42771625518799,2883.888671875,2.85837030410767,1.21010005474091,11.8500003814697,0.118495516479015,0.5,378.414184570312,0.498674958944321,3.10999989509583,767.895690917969,0.296215116977692,1.0,22.1876049041748,1.49379348754883,,-0.601093530654907,33.1565551757812,0.0,-0.0536712296307087,0.337267220020294,1.0,7.59811925888062,0.206896551724138,646.380554199219,6.24378967285156,0.248061463236809,0.0,90.1322860717773,0.711455285549164,3.5856,2.87758421897888,-0.409012377262115,15.5708599090576,12.0036182403564,-0.0707837417721748,23.84543800354,0.0,114.407402038574,3.75809693336487,0.278423577547073,516.064147949219,5.59574365615845,199.894073486328,-0.245933249592781,6.0,1047.22131347656,7.62748765945435,0.0710213854908943,3.0,30.258451461792,523.0,1.4532151222229,4.93645620346069,0.38702991604805,1.782719373703,1.99100005626678,0.0,1.9645448923111,4.0,48.0,3.0,10.6837606430054,0.253436774015427,159.270263671875,0.0,19.0,0.0,0.0,5.75778532028198,0.325880169868469,298.858551025391,-323.198638916016,16.1613292694092,0.0974775850772858,0.186276659369469,1487.98498535156,103.2562,86.8891677856445,0.710176825523376,-28.8581848144531,9.06597995758057,0.458566069602966,0.0,69.6139373779297,0.859184503555298,6.50876235961914,0.0998776853084564,0.0,0.0883537232875824,1.0,0.37448787689209,4.69231748580933,0.111945398151875,3.0910267829895,1.46434199810028,2.1231734752655
InChI%3D1S%2FC15H22ClNO2%2Fc1-5-13-8-6-7-11%282%2915%2813%2917%2814%2818%299-16%2912%283%2910-19-4%2Fh6-8%2C12H%2C5%2C9-10H2%2C1-4H3,0.22821244597435,0.77486264705658,10.9872703552246,3.0,4.88359355926514,4.0,261.622993469238,0.924873411655426,0.346379935741425,0.0,0.117052786052227,2.28885698318481,28.6216793060303,-0.382300406694412,3.32120227813721,194.055252075195,1295.8232421875,1.19247663021088,22.446569442749,-280.1396484375,1475.65734863281,3.34055924415588,5.37721061706543,29.0003128051758,-27.2475700378418,1995.96520996094,37.5887413024902,2248.52416992188,39.3945808410645,0.0,7.0,0.661880314350128,0.0,1339.0400390625,0.955495476722717,34.9693794250488,8.3232,0.0287584885954857,4.23140495867769,5.685631275177,2160.61840820312,6.07466793060303,1.38269996643066,11.9985160827637,0.0751265808939934,0.5,218.016448974609,0.431503623723984,2.67000007629395,314.730224609375,0.338119715452194,1.0,9.47274494171143,1.09599566459656,29.5400009155273,-0.488112211227417,29.3245544433594,0.0,-0.0474758632481098,0.328294843435287,1.0,4.96095943450928,0.368421052631579,530.807678222656,3.70714950561523,0.30227729678154,0.0,37.7682304382324,0.434747338294983,3.1641,1.07599794864655,-0.221941351890564,4.37048530578613,11.5683069229126,-0.0808344781398773,11.2832078933716,0.0,82.6396026611328,2.84527063369751,0.173467963933945,379.869445800781,5.04876184463501,89.6317520141602,-0.14359675347805,7.0,548.382446289062,7.59963750839233,0.208318993449211,1.0,16.5052070617676,231.0,1.34450352191925,4.72395372390747,0.43287256360054,2.09784436225891,2.08100008964539,0.0,2.8262927532196,10.0,29.54,3.0,8.32320022583008,0.0680413842201233,111.373092651367,0.0,9.0,0.0,0.0,4.23140478134155,0.155437618494034,185.814193725586,-160.779052734375,12.8283252716064,0.0240562614053488,0.264784634113312,828.522094726562,80.101,43.117000579834,0.613974988460541,-15.6380529403687,7.05207300186157,0.200000002980232,0.0,43.7527770996094,0.719186186790466,4.90519046783447,0.0518248938024044,0.0,0.135511517524719,1.0,0.328100383281708,3.4034059047699,0.158021047711372,2.44951915740967,1.91185927391052,1.62706816196442
InChI%3D1S%2FC4H7Br2Cl2O4P%2Fc1-10-13%289%2C11-2%2912-3%285%294%286%2C7%298%2Fh3H%2C1-2H3,0.455169320106506,0.27329483628273,8.42396640777588,4.0,0.0,0.0,373.727994918823,0.836015045642853,0.0,0.0,0.13903820514679,0.854647278785706,123.689979553223,-0.287688881158829,3.19965934753418,278.684631347656,793.076232910156,1.34710717201233,37.9461097717285,-408.777587890625,858.232055664062,4.18578910827637,4.36965942382812,95.7728805541992,-40.0711822509766,1088.31823730469,131.981796264648,851.012023925781,65.9625015258789,1.5,5.0,0.408899962902069,1.01420485973358,205.089996337891,0.599778831005096,78.91943359375,4.48148148148148,0.024894542992115,4.1522491349481,0.0,579.505065917969,0.5,2.87529993057251,11.9988651275635,0.163984954357147,0.5,90.8910446166992,0.53009819984436,0.910000026226044,133.319961547852,0.591100037097931,4.0,5.53360557556152,2.49692630767822,54.5699996948242,-0.867031872272491,25.2584495544434,0.0,-0.0849924013018608,0.61237245798111,1.0,1.58406031131744,0.416666666666667,394.154174804688,1.17221164703369,0.379828125238419,0.0,20.4505195617676,0.739598512649536,3.6512,0.0,-0.663879036903381,0.0,13.0214252471924,0.540416538715363,0.0,1.0,58.2458992004395,3.93712306022644,-0.281187504529953,192.783157348633,3.31286859512329,40.8236694335938,-0.161739096045494,5.0,282.776397705078,3.70475006103516,0.101454265415668,3.0,11.7369756698608,114.0,5.41833448410034,3.67474341392517,0.518788635730743,3.47051763534546,2.26600003242493,0.0,3.11068367958069,13.0,54.57,4.0,4.48148155212402,0.0,131.390823364258,0.0,5.0,0.0,0.0,4.15224933624268,0.0,-85.9014739990234,-192.725463867188,11.5772085189819,0.0,0.195450514554977,691.553955078125,58.7885,77.3136215209961,3.33353495597839,-18.8922710418701,5.68663454055786,1.5,0.747574687004089,51.8081550598145,0.832916975021362,6.61643362045288,0.0,0.0,1.32844984531403,1.0,0.298220306634903,4.15257549285889,0.310289740562439,1.05312252044678,8.26735019683838,0.728197395801544
InChI%3D1S%2FC22H18Cl2FNO3%2Fc1-22%282%2915%2811-19%2823%2924%2920%2822%2921%2827%2929-18%2812-26%2913-8-9-16%2825%2917%2810-13%2928-14-6-4-3-5-7-14%2Fh3-11%2C15%2C18%2C20H%2C1-2H3,0.267464101314545,1.10724103450775,20.8114490509033,4.0,9.42908191680908,12.0,416.149989128113,0.777198314666748,0.525345504283905,0.0,0.300371795892715,1.59599232673645,48.6109466552734,-0.307072520256042,3.94341039657593,408.469757080078,1826.70385742188,1.39794862270355,37.3119049072266,-840.444152832031,2142.56469726562,1.55050039291382,15.2720460891724,58.3771896362305,-58.7454833984375,2762.05981445312,52.5467910766602,2703.07104492188,55.7862701416016,0.200000002980232,7.0,0.437672764062881,0.58428817987442,1589.06994628906,0.900530576705933,34.969856262207,10.08,0.0255744997411966,5.43751795461074,2.40250897407532,2595.4443359375,3.86244177818298,3.34669995307922,11.8500003814697,0.222801670432091,0.466666668653488,230.935684204102,0.596653938293457,3.10999989509583,475.16015625,0.562327265739441,3.0,13.4942483901978,2.70853662490845,59.3199996948242,-1.15701258182526,27.170726776123,0.0,-0.0808730274438858,0.483302026987076,0.875,7.96026802062988,0.225806451612903,564.55029296875,6.40257167816162,0.189482748508453,0.0,90.8916625976562,0.631684482097626,6.31708,2.62241744995117,-0.288121998310089,10.2044124603271,10.3233079910278,-0.061634935438633,19.6294040679932,0.0,118.564903259277,4.8864049911499,0.16561795771122,317.921783447266,7.09278106689453,207.820053100586,-0.136566579341888,7.0,654.137817382812,9.59420013427734,0.0766881927847862,2.0,18.5771007537842,703.0,2.49684023857117,4.54064416885376,0.429989129304886,2.70376133918762,4.00799989700317,0.496193736791611,3.17473649978638,6.0,59.32,3.0,10.0799999237061,1.1016058921814,296.708984375,0.407229274511337,13.0,0.0,0.0,5.82579278945923,1.40459990501404,-90.5479736328125,-610.491516113281,17.2459125518799,0.576754927635193,0.149161353707314,1494.58190917969,107.912,161.841247558594,1.84618031978607,-42.6722221374512,9.64611625671387,0.534522473812103,0.16666667163372,77.3225860595703,0.767951786518097,8.33999919891357,0.640931010246277,0.0,0.225947737693787,1.0,0.371305525302887,5.13575649261475,0.129923895001411,3.31092739105225,11.2004013061523,2.31452298164368
InChI%3D1S%2FC13H13Cl2N3O3%2Fc1-7%282%2916-12%2820%2917-6-11%2819%2918%2813%2817%2921%2910-4-8%2814%293-9%2815%295-10%2Fh3-5%2C7H%2C6H2%2C1-2H3%2C%28H%2C16%2C20%29,0.366735994815826,0.822535634040833,16.3298854827881,6.0,6.05824279785156,6.0,317.066992759705,0.765405118465424,0.364492654800415,0.0,0.335351318120956,0.853402316570282,39.8288803100586,-0.335412532091141,2.73152327537537,291.498840332031,1388.92944335938,1.38442230224609,28.2292327880859,-526.568664550781,1622.19384765625,4.55095148086548,12.7449598312378,44.6234588623047,-48.2861061096191,2274.90991210938,44.5125389099121,2192.85986328125,56.1704788208008,0.0,3.0,0.512906432151794,0.649819850921631,805.080017089844,0.926523387432098,34.969856262207,7.05078125,0.0355296544730663,4.05,1.06365919113159,2039.75610351562,2.97564768791199,1.11790001392365,11.9885129928589,0.234594851732254,0.5,183.690628051758,0.543730437755585,2.00999999046326,331.822052001953,0.487093567848206,2.0,12.7244749069214,2.06331372261047,,-0.879894495010376,22.2476902008057,0.0,-0.0806859210133553,0.37306547164917,1.0,6.49101209640503,0.136363636363636,458.053070068359,4.12562656402588,0.167271435260773,1.0,48.0208206176758,0.574943542480469,3.0873,1.65272998809814,-0.414250105619431,1.98270320892334,10.5567970275879,0.399855703115463,9.84980869293213,0.0,82.7414016723633,3.65136551856995,-0.441376090049744,306.946441650391,6.79193878173828,94.0603332519531,0.21503446996212,3.0,554.473510742188,8.59389019012451,0.0522601529955864,0.0,21.2625541687012,333.0,1.27205157279968,5.18118906021118,0.477722108364105,1.86974239349365,2.11100006103516,0.078567422926426,1.92393565177917,6.0,73.21,6.0,7.05078125,0.315898060798645,174.446090698242,0.0353553406894207,15.0,0.696238338947296,0.0,4.05000019073486,0.603152692317963,15.4476041793823,-315.122528076172,12.8896455764771,0.0882791131734848,0.185599327087402,1081.04223632812,75.8302,140.392181396484,0.995753526687622,-28.8965911865234,6.92212057113647,0.0,0.0,69.5486602783203,0.947393000125885,5.62123441696167,0.145135462284088,1.0,0.0752226859331131,2.0,0.362969756126404,3.12200856208801,0.163991138339043,2.39520812034607,1.24970042705536,1.28845059871674
InChI%3D1S%2FC12H21N2O3PS%2Fc1-6-15-18%2819%2C16-7-2%2917-11-8-10%285%2913-12%2814-11%299%283%294%2Fh8-9H%2C6-7H2%2C1-5H3,0.299359709024429,0.986797273159027,16.7143115997314,6.0,2.94168281555176,2.0,283.183997154236,0.933263421058655,0.517177760601044,1.0,0.175825655460358,0.959349751472473,33.8215484619141,-0.309417396783829,6.26511764526367,90.6593475341797,1001.29431152344,1.54048383235931,33.8517189025879,-138.630279541016,1111.78576660156,2.43546485900879,9.48984336853027,43.4697799682617,-11.9776315689087,1464.86462402344,41.4071273803711,1459.27624511719,41.7638168334961,1.5,7.0,0.856746971607208,1.33699715137482,1258.06994628906,1.31008088588715,31.9720726013184,7.69526627218935,0.0301741566509008,5.47919143876338,3.25366878509521,1386.63256835938,5.53954696655273,2.0171000957489,11.8900003433228,0.066736564040184,0.444444447755814,343.139129638672,0.692153334617615,2.00999999046326,524.705688476562,0.143252998590469,0.0,12.0851716995239,1.91957592964172,95.370002746582,-0.219053030014038,37.6853485107422,0.5,-0.0189261417835951,0.16666667163372,0.800000011920929,4.7468409538269,0.368421052631579,590.626708984375,3.09187316894531,0.374835550785065,0.0,74.5695037841797,0.543546617031097,4.2353,1.26112627983093,-0.45906063914299,0.646330416202545,9.67841529846191,0.413914769887924,3.08086538314819,1.0,81.5680999755859,3.01612949371338,-0.362432897090912,542.202392578125,4.7674298286438,148.32194519043,0.218080326914787,7.0,829.100036621094,5.52602338790894,0.0573969073593616,3.0,19.0960693359375,266.0,1.90711963176727,4.99172258377075,0.575047731399536,2.66581845283508,3.07500004768372,0.0,2.37209272384644,9.0,95.37,4.0,7.69526624679565,0.0680413842201233,57.374828338623,0.0,11.0,0.0,0.0,5.47919130325317,0.155437618494034,451.543029785156,-87.7337951660156,13.7544717788696,0.0144337564706802,0.201694160699844,967.730346679688,79.249,42.2350158691406,1.44108521938324,-7.58018445968628,8.89717674255371,0.0,0.111803397536278,31.0736999511719,0.735402762889862,7.16955280303955,0.0286596473306417,0.0,0.0577350258827209,0.0,0.273282736539841,4.55974721908569,0.195726349949837,3.38412761688232,4.06869220733643,1.54264938831329
InChI%3D1S%2FC10H15OPS2%2Fc1-3-11-12%2813%2C4-2%2914-10-8-6-5-7-9-10%2Fh5-9H%2C3-4H2%2C1-2H3,0.102512523531914,1.82041966915131,13.0635576248169,3.0,0.0,6.0,231.217000007629,0.983171224594116,1.00565886497498,1.0,0.218346014618874,0.631442546844482,32.6803894042969,-0.34125080704689,4.27442836761475,180.197052001953,1015.64862060547,1.2886403799057,31.7858638763428,-146.065277099609,1125.796875,3.51250004768372,8.15768718719482,41.3203964233398,-11.0270843505859,1407.27368164062,34.0891990661621,1269.15893554688,27.1707897186279,0.0,5.0,0.636578559875488,0.110972538590431,659.039978027344,0.51600193977356,31.9730739593506,5.77777777777778,0.0263238102197647,3.96,3.10698246955872,1019.22009277344,0.447213590145111,2.14450001716614,11.8500003814697,0.0168287996202707,0.5,156.504302978516,0.546111524105072,2.11999988555908,126.86026763916,0.363421440124512,0.0,6.4717698097229,1.13090085983276,76.4300003051758,-0.294584482908249,24.6541042327881,0.0,-0.0222394242882729,0.0,1.0,3.11491703987122,0.357142857142857,487.490661621094,2.0809338092804,0.327202469110489,0.0,42.7196159362793,0.152647241950035,4.7952,0.594861328601837,-0.083590880036354,7.15874099731445,12.5554723739624,0.0125428251922131,3.44160127639771,1.0,72.3348007202148,1.93680453300476,-0.0109102427959442,315.637908935547,2.85430860519409,77.8012237548828,0.00173615640960634,5.0,255.851806640625,2.7887110710144,0.0483361817896366,1.0,13.0522661209106,170.0,5.49251508712769,5.35234975814819,0.479556888341904,7.34266519546509,3.66199994087219,0.0,6.21160078048706,8.0,76.43,1.0,5.77777767181396,0.102062076330185,89.3479995727539,0.0,6.0,0.0,1.0,3.96000003814697,0.0721687823534012,135.440856933594,-72.4242706298828,11.0003433227539,0.0320750139653683,0.420945674180984,401.917083740234,68.977,8.34430694580078,3.39741611480713,-5.467613697052,9.00868606567383,0.0,0.580947518348694,24.0793495178223,0.797505617141724,10.2958879470825,0.039283711463213,0.0,0.0,0.0,0.262971967458725,8.20757389068604,0.125902980566025,5.65989065170288,4.59888029098511,3.38220000267029
InChI%3D1S%2FC12H13NO2S%2Fc1-9-11%2816-8-7-15-9%2912%2814%2913-10-5-3-2-4-6-10%2Fh2-6H%2C7-8H2%2C1H3%2C%28H%2C13%2C14%29,0.199127539992332,0.568450570106506,,4.0,3.14734530448914,2.0,222.203996658325,,0.28918269276619,0.0,,,24.036678314209,-0.366386115550995,,,1093.02758789062,,21.6682167053223,,1227.20629882812,,,29.3897457122803,,1574.22058105469,31.3908805847168,1459.92895507812,21.8246440887451,0.0,2.0,,,660.039978027344,,31.9720726013184,6.07438016528926,,3.49519890260631,1.25351905822754,1111.70959472656,1.70914804935455,0.391799986362457,11.9962186813354,,0.444444447755814,,,2.33999991416931,,,0.0,,0.811611413955688,,,19.7276916503906,0.0,,0.19245009124279,0.800000011920929,4.31372308731079,0.117647058823529,,3.08332085609436,,1.0,,0.322891980409622,3.2695,0.992761492729187,-0.164527058601379,6.45515155792236,11.4480514526367,-0.0672471523284912,8.00344467163086,0.0,42.0199012756348,1.87561523914337,0.0325915552675724,,2.97497844696045,,0.109154462814331,2.0,,3.57279539108276,,1.0,,238.0,0.94354808330536,6.25758361816406,,1.20997631549835,3.7739999294281,0.0,1.28226053714752,3.0,67.12,3.0,6.07438039779663,0.185395404696465,,0.0,12.0,0.0,1.0,3.49519896507263,0.203614637255669,,,9.82838535308838,0.0945750176906586,,,67.2758,,0.379690766334534,,6.05270099639893,0.25,0.0,,,4.45836496353149,0.10809437930584,1.0,0.0931186228990555,0.0,,3.29184412956238,,2.21097350120544,0.153507232666016,1.46519470214844
InChI%3D1S%2FC19H22FN3O3%2Fc1-2-21-5-7-22%288-6-21%2917-10-16-13%289-15%2817%2920%2918%2824%2914%2819%2825%2926%2911-23%2816%2912-3-4-12%2Fh9-12H%2C2-8H2%2C1H3%2C%28H%2C25%2C26%29,0.290362358093262,1.86750531196594,19.4584655761719,3.0,10.7566661834717,6.0,337.224991798401,0.755947828292847,1.21023750305176,0.0,0.313235431909561,1.19576632976532,30.9054145812988,-0.35058930516243,3.64976978302002,198.495178222656,1812.80004882812,1.30553114414215,32.0737266540527,-416.248291015625,2209.5986328125,3.43920850753784,14.6129302978516,45.2606315612793,-38.3589859008789,3108.82080078125,53.0220603942871,3467.37353515625,52.8895721435547,0.0,4.0,0.699106395244598,0.365451097488403,2159.07006835938,1.46603989601135,18.9984073638916,7.78799351000541,0.0359933637082577,3.56033324375168,2.00016760826111,3099.75439453125,0.897316217422485,-0.600399971008301,11.9961566925049,0.244052171707153,0.461538463830948,304.240600585938,0.584977805614471,2.77999997138977,637.99853515625,0.300893634557724,1.0,15.6637725830078,1.97935700416565,,-0.630979895591736,35.2959671020508,0.0,-0.058147381991148,0.63663649559021,0.857142865657806,8.14951515197754,0.137931034482759,498.687835693359,6.77823734283447,0.187567189335823,0.0,75.1717529296875,0.659746408462524,1.198,3.99460816383362,-0.242021694779396,10.8488063812256,10.9861907958984,-0.129058614373207,20.277099609375,0.0,96.1724014282227,4.92870712280273,-0.146106049418449,461.190338134766,7.74906301498413,158.405029296875,0.288331657648087,4.0,967.125244140625,11.5133409500122,0.0614522397518158,0.0,23.7443027496338,558.0,2.15444278717041,4.42482376098633,0.416995406150818,2.86790466308594,1.85500001907349,0.0,3.53887033462524,2.0,69.81,6.0,7.78799343109131,0.375888139009476,130.944396972656,0.0,10.0,0.94494080543518,0.0,3.80580282211304,0.775881409645081,262.695190429688,-274.592987060547,14.9495706558228,0.215902388095856,0.157860830426216,1383.37353515625,91.3241,160.997680664062,0.95981878042221,-25.3048686981201,9.3375186920166,0.0,0.0,62.1032867431641,0.79376345872879,7.38068819046021,0.357806622982025,1.0,0.193468108773232,2.0,0.303557962179184,5.49305438995361,0.129117384552956,3.94646501541138,0.360480159521103,2.84948754310608
InChI%3D1S%2FC12H12N2%2Fc1-3-7-13-9-10-14-8-4-2-6-12%2814%2911%2813%295-1%2Fh1-8H%2C9-10H2,0.097245916724205,1.51187324523926,10.003023147583,2.0,1.0,2.0,172.14599609375,0.98491221666336,1.03820252418518,0.0,0.247623205184937,0.681125640869141,14.7199764251709,-0.276660978794098,2.68491578102112,16.0813541412354,1050.43823242188,1.42632043361664,16.9971122741699,-12.1748828887939,1243.03466796875,1.14746129512787,6.63698196411133,23.3294811248779,-2.12545323371887,1743.30078125,23.0247287750244,1684.17346191406,16.6647415161133,0.0,0.0,0.96168327331543,1.16146242618561,1114.02001953125,0.728071868419647,14.0040864944458,3.86776859504132,0.0325787626206875,1.64828303850156,0.0,1126.13073730469,0.0,-0.993799984455109,11.8999996185303,0.0150877712294459,0.428571432828903,169.395202636719,0.556878507137299,2.55999994277954,128.245834350586,0.0383167006075382,0.0,5.73856925964355,0.605498850345612,,-0.0290088336914778,25.8241405487061,0.0,-0.00506427185609937,0.191638320684433,0.75,4.74499130249023,0.0,413.363433837891,4.10802173614502,0.268410414457321,0.0,24.1691207885742,0.162430375814438,1.8584,1.87205219268799,-0.0821050181984901,14.8473701477051,10.3902502059937,-0.0609587766230106,8.50282955169678,0.0,54.1688003540039,1.82649207115173,0.0812335163354874,403.614349365234,3.26907587051392,46.3096237182617,-0.0232678279280663,0.0,305.568634033203,4.82355833053589,0.0680919736623764,0.0,13.6731672286987,170.0,1.10406935214996,7.34404706954956,0.524303197860718,1.87841093540192,2.5699999332428,0.0,2.6114501953125,0.0,6.48,2.0,3.86776852607727,0.222222223877907,6.74927568435669,0.0,4.0,0.0,0.0,1.64828300476074,0.371211022138596,387.532989501953,-5.10974597930908,8.96549510955811,0.136803403496742,0.364110440015793,317.743499755859,52.5584,6.33227252960205,0.381720691919327,-0.892043590545654,6.16923141479492,0.0,0.0,15.798620223999,0.732963860034943,4.78169775009155,0.205669313669205,0.0,0.104056939482689,0.0,0.345138698816299,3.91961240768433,0.0588592812418938,3.16491675376892,0.987638413906097,2.56391787528992
InChI%3D1S%2FC17H16Br2O3%2Fc1-11%282%2922-16%2820%2917%2821%2C12-3-7-14%2818%298-4-12%2913-5-9-15%2819%2910-6-13%2Fh3-11%2C21H%2C1-2H3,0.303270369768143,1.28193199634552,13.3084630966187,3.0,3.91424512863159,10.0,411.991991996765,0.895846903324127,0.651617705821991,0.0,0.114254020154476,1.6263974905014,110.83959197998,-0.371004849672318,5.2185173034668,285.588470458984,1688.42395019531,1.21505427360535,35.6337203979492,-457.390594482422,1951.64965820312,3.39686512947083,6.46354818344116,58.7098159790039,-31.4739398956299,2718.20922851562,63.1484680175781,2865.59838867188,51.2867317199707,0.0,5.0,0.524218559265137,0.0,1059.05004882812,0.839573919773102,78.9193344116211,7.71349862258953,0.0312587954103947,4.30839002267574,2.46885371208191,2612.85302734375,2.92173647880554,2.53690004348755,11.8500003814697,0.104153119027615,0.5,188.876846313477,0.4180868268013,2.77999997138977,302.499908447266,0.475781470537186,2.0,11.2625970840454,2.07462286949158,46.5299987792969,-0.761998414993286,22.9453125,0.0,-0.0524345971643925,0.733301997184753,1.0,5.86328792572021,0.217391304347826,537.733337402344,4.49943161010742,0.392120212316513,0.0,52.7298164367676,0.402813315391541,4.3991,1.9277560710907,-0.179166406393051,8.69190216064453,12.0665073394775,-0.100788466632366,15.5898456573486,0.0,100.894401550293,4.58840990066528,0.129028648138046,314.662902832031,6.98256731033325,120.89688873291,0.0135192386806011,5.0,503.955383300781,9.56938934326172,0.122207768261433,1.0,18.7631340026855,337.0,1.93664383888245,5.514732837677,0.377989709377289,2.17081260681152,2.63299989700317,0.0,2.56192755699158,8.0,46.53,3.0,7.71349859237671,0.16666667163372,171.424880981445,0.0,6.0,0.333333343267441,0.0,4.30839014053345,0.25,29.0744247436523,-274.549346923828,15.3877849578857,0.0555555559694767,0.231605246663094,961.346008300781,92.5108,62.5180549621582,1.32889437675476,-18.892276763916,8.3789529800415,0.81649661064148,0.0279508493840694,50.2370758056641,0.688962519168854,7.00961065292358,0.136886715888977,1.0,0.145252838730812,1.0,0.418977797031403,4.21947526931763,0.189310237765312,2.61257028579712,6.43586158752441,1.94318199157715
InChI%3D1S%2FC7H13O6P%2Fc1-6%285-7%288%2910-2%2913-14%289%2C11-3%2912-4%2Fh5H%2C1-4H3,0.458035498857498,0.0879847630858421,13.2000188827515,6.0,0.5,2.0,211.044996261597,0.763641357421875,0.0461396239697933,0.0,0.274916797876358,0.810573816299438,24.2972278594971,-0.319486886262894,3.15089654922485,114.461524963379,395.755310058594,1.35157227516174,24.7335586547852,-187.415954589844,409.79345703125,3.41006970405579,9.2385482788086,28.4861698150635,-28.2716083526611,493.082916259766,24.47487449646,467.021514892578,20.7845134735107,1.85314404964447,6.0,0.764806747436523,0.308186054229736,494.070007324219,1.25227224826813,30.973762512207,6.47750865051903,0.0418975688517094,5.48096885813149,1.14297616481781,411.927642822266,2.42946577072144,0.470899999141693,11.996319770813,0.236358627676964,0.5,181.142730712891,0.515651524066925,1.46000003814697,296.597839355469,0.235193282365799,0.0,9.92334461212158,1.50412690639496,80.870002746582,-0.385098606348038,31.2716903686523,0.0,-0.0580919422209263,0.0,1.0,2.31682276725769,0.461538461538462,371.641387939453,1.12076044082642,0.238703936338425,0.0,39.152271270752,0.831988573074341,1.4807,0.343443363904953,-0.763272225856781,0.0,7.28969812393188,0.666885256767273,2.0,1.0,49.6941986083984,2.51063656806946,-0.412969946861267,372.208526611328,3.20971894264221,75.9478607177734,0.215046420693398,6.0,609.443359375,2.57801580429077,0.0614070184528828,4.0,20.3902912139893,159.0,0.552688717842102,3.17193746566772,0.449992120265961,0.579788684844971,0.0430000014603138,0.0,0.43774488568306,14.0,80.87,6.0,6.47750854492188,0.0,55.7049942016602,0.0,10.0,0.16666667163372,0.0,5.48096895217896,0.0,257.747009277344,-91.2097320556641,8.69799613952637,0.0,0.192818626761436,796.859313964844,48.4825,115.028663635254,0.348629206418991,-13.7589445114136,4.01046085357666,2.42946577072144,0.0186432246118784,48.6618995666504,0.870352923870087,2.63429951667786,0.0,0.0,0.0,2.0,0.38592866063118,1.57733941078186,0.279719978570938,0.75281822681427,0.221746817231178,0.340150713920593
InChI%3D1S%2FC15H31N3O2%2Fc1-14%2819%2920-13-11-9-7-5-3-2-4-6-8-10-12-18-15%2816%2917%2Fh2-13H2%2C1H3%2C%28H4%2C16%2C17%2C18%29,0.258078664541245,0.863338470458984,17.3385238647461,5.0,0.0666666701436043,0.0,254.183994293213,0.805829465389252,0.547972500324249,0.0,0.22307562828064,1.20653688907623,22.6289024353027,-0.36618372797966,5.19540977478027,132.135848999023,917.392272949219,1.30473363399506,20.6610164642334,-250.395217895508,906.078063964844,2.38900899887085,10.936577796936,23.0168952941895,-32.5056304931641,911.765502929688,18.1627388000488,825.555358886719,17.1627388000488,0.0,15.0,0.790308356285095,1.15158951282501,2120.05004882812,1.49762094020844,15.995924949646,15.39,0.0386317558586597,19.0588235294118,1.55799615383148,776.777709960938,0.5,-3.40750002861023,11.9779033660889,0.194170534610748,0.470588237047195,313.81640625,0.420824944972992,2.55999994277954,594.676818847656,0.209691643714905,0.0,15.3399353027344,0.81649661064148,88.1999969482422,-0.397362142801285,36.7634162902832,0.0,-0.0515844821929932,0.0,0.888888895511627,2.87293863296509,0.789473684210526,507.788299560547,1.90647447109222,0.29964542388916,0.0,76.2838439941406,0.376236647367477,2.9336,0.828237235546112,-0.257107794284821,19.1782283782959,7.62052345275879,0.106714904308319,3.66455483436584,0.0,61.4561996459961,0.577350258827209,-0.029239559546113,498.007751464844,0.40824830532074,162.177795410156,-0.0077746300958097,15.0,943.71630859375,0.288675129413605,0.0695870518684387,1.0,24.3435535430908,500.0,0.109956599771976,3.72172856330872,0.406284004449844,0.0777510553598404,4.69399976730347,0.0,0.0549782998859882,20.0,88.2,5.0,15.3900003433228,0.0,83.2645645141602,0.0,4.0,0.0,0.0,19.0588226318359,0.0,365.871887207031,-157.784942626953,12.8791284561157,0.0,0.166773527860641,1194.11145019531,82.7198,122.355323791504,0.155502110719681,-20.4832153320312,7.83915185928345,0.5,0.0,56.8491859436035,0.940823674201965,5.21602916717529,0.0,0.0,0.0,1.0,0.477624654769897,3.191890001297,0.136126726865768,2.08023023605347,11.6110563278198,1.3459450006485
InChI%3D1S%2FC19H24O3%2Fc1-7-8-13-12%284%2916%2810-15%2813%2920%2922-18%2821%2917-14%289-11%282%293%2919%2817%2C5%296%2Fh1%2C9%2C14%2C16-17H%2C8%2C10H2%2C2-6H3,0.266078442335129,0.93906831741333,19.7038822174072,3.0,9.35554885864258,2.0,276.205992698669,0.896266400814056,0.461349844932556,0.0,0.344418317079544,1.07612693309784,24.3234062194824,-0.307410597801208,3.01129055023193,203.55615234375,1404.57263183594,1.43022894859314,24.3283672332764,-315.734436035156,1662.79724121094,0.942140221595764,15.6164636611938,34.7670211791992,-32.6523780822754,2193.90478515625,34.6530113220215,1998.67712402344,35.4274826049805,0.0,5.0,0.711417257785797,0.221114560961723,1747.03002929688,1.10347402095795,15.9969291687012,6.85714285714286,0.033118512481451,3.44047080126754,4.64490032196045,1837.05407714844,10.9791650772095,3.76399993896484,11.8900003433228,0.103733599185944,0.5,353.958374023438,0.484167873859406,3.22000002861023,549.022155761719,0.288582742214203,0.0,16.4777774810791,2.4996120929718,43.3699989318848,-0.447618514299393,30.0689678192139,0.0,-0.0462914668023586,0.55313503742218,1.0,6.13484001159668,0.217391304347826,632.194946289062,4.42717266082764,0.152827277779579,0.0,67.0715408325195,0.415267020463943,3.4492,1.5067173242569,-0.191579267382622,1.44224953651428,9.98341941833496,0.0566780343651772,9.47784423828125,0.0,86.4591979980469,4.51125478744507,-0.150567620992661,501.808807373047,6.90394163131714,137.381042480469,0.108615897595882,5.0,778.351928710938,8.90266704559326,0.0546149685978889,1.0,23.3606395721436,413.0,2.77576041221619,4.73956394195557,0.486717313528061,3.13606452941895,2.9449999332428,0.574761152267456,3.37407088279724,4.0,43.37,3.0,6.85714292526245,1.19974839687347,143.581390380859,0.458260327577591,4.0,0.16666667163372,0.0,3.75308632850647,1.58842551708221,298.252655029297,-222.7080078125,14.025710105896,0.636521816253662,0.198096320033073,1094.08630371094,85.846,73.170051574707,1.81525766849518,-23.0318450927734,7.71570062637329,0.70710676908493,0.16666667163372,56.0130195617676,0.97047746181488,7.16413450241089,0.697323858737946,0.0,0.311660498380661,2.0,0.459343791007996,4.71444368362427,0.171487107872963,3.07025861740112,14.1676959991455,1.94815766811371
InChI%3D1S%2FC19H20F3NO4%2Fc1-3-4-11-25-18%2824%2913%282%2926-15-6-8-16%289-7-15%2927-17-10-5-14%2812-23-17%2919%2820%2C21%2922%2Fh5-10%2C12-13H%2C3-4%2C11H2%2C1-2H3,0.438198626041412,0.628140270709991,31.3655414581299,5.0,3.43569183349609,8.0,363.205989837646,0.877625823020935,0.361430644989014,0.0,0.39608097076416,1.14885354042053,34.963996887207,-0.332377970218658,3.19711494445801,301.60009765625,1268.95690917969,1.42490744590759,32.4023704528809,-686.859313964844,1413.791015625,0.822598814964294,27.0195732116699,49.2327117919922,-42.3860130310059,1821.85241699219,45.8591232299805,1778.56481933594,39.268424987793,0.608220219612122,10.0,0.625918507575989,2.34975838661194,1602.07995605469,1.42545688152313,19.0012607574463,11.2534626038781,0.0404561683535576,8.09951325040563,3.235999584198,1533.22863769531,2.03771543502808,0.368099987506866,11.9973821640015,0.122374184429646,0.5,406.863128662109,0.538772642612457,2.67000007629395,926.583679199219,0.374081492424011,3.0,26.297550201416,2.59413981437683,57.6500015258789,-0.851927280426025,33.4991416931152,0.0,-0.0525723360478878,0.599679350852966,1.0,6.19739151000977,0.357142857142857,707.578552246094,4.8188362121582,0.101930804550648,0.0,121.099235534668,0.888810396194458,5.0033,2.24048924446106,-0.519438922405243,8.97106170654297,8.49049854278564,0.0494445040822029,14.4580173492432,0.0,95.7761993408203,4.1889476776123,0.0263792183250189,504.641632080078,4.94328117370605,251.708129882812,0.0218576788902283,10.0,1149.26281738281,5.85124635696411,0.0366278886795044,3.0,32.6174507141113,754.0,0.878164649009705,3.44582653045654,0.382519870996475,0.883155941963196,3.58299994468689,0.0,0.870188176631927,10.0,57.65,3.0,11.2534627914429,0.16666667163372,243.16259765625,0.0,14.0,0.0,0.0,8.09951305389404,0.218443363904953,203.04150390625,-553.774658203125,14.9542226791382,0.0492943525314331,0.145881503820419,1836.12219238281,91.712,98.6631698608398,0.572224676609039,-34.1733703613281,8.43760871887207,0.825481832027435,0.0134987309575081,75.0034637451172,0.96159416437149,5.73746776580811,0.0422228537499905,0.0,0.0553561411798,1.0,0.503615021705627,3.49682211875916,0.183580607175827,2.00204133987427,0.135497614741325,1.24787724018097
InChI%3D1S%2FC15H15ClN4O6S%2Fc1-3-26-13%2821%299-6-4-5-7-10%289%2927%2823%2C24%2920-15%2822%2919-14-17-11%2816%298-12%2818-14%2925-2%2Fh4-8H%2C3H2%2C1-2H3%2C%28H2%2C17%2C18%2C19%2C20%2C22%29,0.294689565896988,0.833499372005463,19.7728137969971,10.0,5.50270652770996,6.0,399.706993103027,0.802274584770203,0.437546759843826,0.0,0.264014661312103,1.62845718860626,46.9272727966309,-0.36176261305809,4.59300136566162,326.460296630859,1806.12231445312,1.41579484939575,42.0036354064941,-883.770263671875,2075.74853515625,1.32756423950195,13.5513553619385,56.650691986084,-53.9153938293457,2872.88916015625,60.8938331604004,2935.6591796875,70.6746368408203,0.090909093618393,8.0,0.56612503528595,0.0410584658384323,1147.11999511719,1.53257369995117,34.9688529968262,10.6837606837607,0.041629571467638,6.77953825260299,1.77243030071259,2834.44995117188,2.2487781047821,0.809000015258789,11.9961862564087,0.197725430130959,0.5,320.511749267578,0.572269141674042,1.78999996185303,867.666809082031,0.43387496471405,1.0,23.5685863494873,2.52571153640747,,-1.17455565929413,32.7041053771973,2.38110160827637,-0.0716550797224045,0.428855359554291,1.0,7.60611152648926,0.285714285714286,603.655029296875,5.2673864364624,0.232288703322411,1.0,91.7886962890625,0.927502512931824,2.9201,2.05769515037537,-0.677612900733948,3.80727863311768,12.3442010879517,0.595542311668396,9.51453399658203,0.0,98.4304962158203,4.28867101669312,-0.673881828784943,425.969177246094,7.63889122009277,212.918960571289,0.336980193853378,8.0,1153.15368652344,10.0953178405762,0.0823583975434303,2.0,31.3233165740967,594.0,1.43145215511322,4.83738660812378,0.436767101287842,1.94524192810059,0.513000011444092,0.0,2.07078218460083,7.0,148.45,9.0,10.6837606430054,0.151374712586403,245.638366699219,0.0,23.0,1.42381393909454,0.0,6.77953815460205,0.254045605659485,99.5088577270508,-664.974792480469,15.4249572753906,0.0422115363180637,0.123649261891842,2036.92395019531,96.082,148.774444580078,0.854319393634796,-40.5675315856934,8.62839984893799,1.35477125644684,0.0361295826733112,85.2387084960938,0.932336449623108,6.10556173324585,0.0666891485452652,1.0,0.120112083852291,3.0,0.406758666038513,3.94491815567017,0.108797632157803,2.69532346725464,0.654480993747711,1.61581027507782
InChI%3D1S%2FC14H15N5O6S%2Fc1-8-15-12%2818-14%2816-8%2925-3%2917-13%2821%2919-26%2822%2C23%2910-7-5-4-6-9%2810%2911%2820%2924-2%2Fh4-7H%2C1-3H3%2C%28H2%2C15%2C16%2C17%2C18%2C19%2C21%29,0.294350326061249,0.816033720970154,20.1297721862793,10.0,5.50270652770996,5.0,366.249994277954,0.809309959411621,0.393464684486389,0.0,0.29322749376297,1.29603552818298,38.5745086669922,-0.381221890449524,4.25367593765259,282.573364257812,1742.07409667969,1.34404838085175,39.3842658996582,-828.642456054688,2007.33544921875,0.985581457614899,14.5800619125366,51.8659400939941,-47.8792762756348,2789.96411132812,56.3227310180664,2829.662109375,61.3842811584473,0.090909093618393,6.0,0.60414445400238,0.0,1466.11999511719,1.77164530754089,31.9720726013184,9.97229916897507,0.0430388934910297,6.26086956521739,1.47186672687531,2677.94946289062,4.031494140625,-0.258599996566772,11.9961957931519,0.190690025687218,0.461538463830948,307.843383789062,0.595551490783691,1.67999994754791,902.746459960938,0.395855516195297,0.0,21.9305801391602,2.52571153640747,,-1.16084086894989,36.6569328308105,3.63872194290161,-0.0670738220214844,0.428855359554291,0.857142865657806,7.23944282531738,0.222222222222222,577.709350585938,5.13594055175781,0.211312666535378,2.0,86.4280471801758,0.958904266357422,1.1927,1.85989797115326,-0.79074764251709,3.96540641784668,12.1847591400146,0.756403386592865,6.484206199646,0.0,91.4300994873047,4.35770654678345,-0.682878851890564,431.256164550781,7.58908128738403,186.936462402344,0.253541797399521,6.0,1264.65270996094,9.99205493927002,0.0643840134143829,2.0,30.72243309021,542.0,1.44807934761047,4.85228109359741,0.496917277574539,1.95552241802216,0.580999970436096,0.0,2.08239483833313,7.0,164.57,11.0,9.97229957580566,0.151374712586403,201.709213256836,0.0,19.0,1.42381393909454,0.0,6.26086950302124,0.254045605659485,148.682815551758,-591.509460449219,14.7140941619873,0.0486111119389534,0.120164826512337,2093.29516601562,88.31,136.120178222656,0.838079810142517,-34.1776428222656,8.19360637664795,1.35477125644684,0.0323152802884579,78.6017074584961,0.930810153484344,5.99102210998535,0.0766307339072227,1.0,0.114717841148376,3.0,0.251579612493515,3.98130059242249,0.100263960659504,2.70116305351257,0.0668739601969719,1.64937102794647
InChI%3D1S%2FC12H14N2%2Fc13-8-9-14-12-7-3-5-10-4-1-2-6-11%2810%2912%2Fh1-7%2C14H%2C8-9%2C13H2,0.126113414764404,0.547699630260468,10.6873035430908,1.0,2.38110160827637,8.0,172.14599609375,0.941366970539093,0.304065406322479,0.0,0.256988793611526,0.328070193529129,14.7199764251709,-0.328825294971466,3.13477611541748,152.920288085938,878.76318359375,1.235191822052,15.498556137085,-155.575561523438,997.880737304688,7.06213712692261,7.22445774078369,19.6647415161133,-15.2181625366211,1307.78039550781,19.8585433959961,1254.86938476562,15.664740562439,0.0,3.0,0.669458031654358,1.44422590732574,659.02001953125,0.681082308292389,14.0040864944458,5.18559556786704,0.0461092814803123,2.5344,0.0,893.270324707031,0.0,0.353899985551834,11.8500003814697,0.0586330220103264,0.5,143.284881591797,0.54514342546463,2.55999994277954,145.772842407227,0.330541968345642,0.0,9.86882305145264,0.469416111707687,38.0499992370605,-0.336281418800354,15.3048982620239,0.0,-0.0328945331275463,0.136082768440247,1.0,3.89639210700989,0.2,435.509338378906,3.22507834434509,0.293317764997482,0.0,26.0456123352051,0.0859493538737297,1.4936,1.31503546237946,-0.0323376543819904,11.5796747207642,9.96251010894775,-0.0379227101802826,11.696270942688,0.0,65.427001953125,1.38068211078644,0.033585824072361,309.714721679688,2.42886900901794,44.1627388000488,-0.00319017819128931,3.0,315.092529296875,3.37284302711487,0.03069718927145,0.0,21.3317680358887,181.0,0.559204041957855,4.88621807098389,0.414988070726395,0.819384932518005,1.15299999713898,0.0,0.943503081798553,4.0,39.67,2.0,5.18559551239014,0.151374712586403,70.7462844848633,0.0,11.0,0.0,0.0,2.53439998626709,0.251375645399094,156.79443359375,-71.9747009277344,8.03301525115967,0.0518340393900871,0.323155164718628,470.668090820312,62.3268,27.1256885528564,0.227670907974243,-7.04045486450195,4.83316898345947,0.0,0.0,36.5499305725098,0.715348660945892,3.24216079711914,0.0697323083877563,0.0,0.0448895953595638,0.0,0.275060296058655,2.24942445755005,0.125547036528587,1.58639764785767,0.125245213508606,1.0926661491394
InChI%3D1S%2FC19H14F3NO%2Fc1-23-11-16%2813-6-3-2-4-7-13%2918%2824%2917%2812-23%2914-8-5-9-15%2810-14%2919%2820%2C21%2922%2Fh2-12H%2C1H3,0.41632866859436,1.35810506343842,12.1553688049316,1.0,6.63197565078735,10.0,315.20899105072,0.94398546218872,0.859463512897491,0.0,0.0638974383473396,2.58768796920776,29.640588760376,-0.304261177778244,4.48029518127441,239.603958129883,1554.7275390625,1.30124545097351,28.5760021209717,-407.929931640625,1845.10021972656,0.0,5.08738565444946,45.2480430603027,-31.6531867980957,2608.62280273438,44.3176345825195,2713.142578125,43.0372848510742,0.0,3.0,0.573894560337067,0.0,1384.05004882812,0.977065563201904,19.0004138946533,7.70914127423823,0.0299849081784487,4.41145833333333,2.32601118087769,2445.97290039062,1.54308187961578,2.90359997749329,11.8500003814697,0.0560145564377308,0.454545468091965,181.462097167969,0.45691192150116,3.0,308.942413330078,0.426105439662933,3.0,9.48105239868164,2.59698700904846,,-0.72545200586319,26.2247257232666,0.0,-0.0562912039458752,0.726230323314667,0.833333313465118,6.98111391067505,0.115384615384615,530.813781738281,6.01499891281128,0.368585705757141,0.0,47.5511589050293,0.490348100662231,4.7381,2.75215911865234,-0.250023633241653,13.6788625717163,11.0307531356812,-0.0114829326048493,20.3938236236572,0.0,95.2941970825195,4.52014017105103,-0.0509561449289322,322.707458496094,6.60102605819702,118.68766784668,0.158872187137604,3.0,549.415161132812,9.81948852539062,0.212884366512299,0.0,16.8608570098877,436.0,1.70571434497833,3.66526317596436,0.363958299160004,2.31763672828674,2.32299995422363,0.0,3.09368753433228,3.0,22.0,2.0,7.70914125442505,0.240950956940651,134.732040405273,0.0,6.0,0.0,0.0,4.41145849227905,0.323965907096863,83.1035232543945,-229.383666992188,13.2544221878052,0.0971205905079842,0.178589627146721,957.345092773438,87.557,31.4976234436035,0.905696094036102,-17.7989482879639,7.80398797988892,0.0,0.0134987309575081,48.5140419006348,0.480845600366592,6.26265668869019,0.138195022940636,0.0,0.15186819434166,1.0,0.480375289916992,4.49364709854126,0.244504541158676,3.27712106704712,8.43089294433594,2.46219682693481
InChI%3D1S%2FC15H11ClF3NO4%2Fc1-2-23-14-8-10%284-5-12%2814%2920%2821%2922%2924-13-6-3-9%287-11%2813%2916%2915%2817%2C18%2919%2Fh3-8H%2C2H2%2C1H3,,0.679407715797424,16.2603740692139,4.0,4.7000994682312,11.0,350.614990234375,0.98027777671814,0.347134828567505,0.0,0.270665526390076,0.952771663665771,39.6767501831055,,4.01931381225586,379.82421875,1229.35681152344,1.22505581378937,31.2985782623291,-655.022338867188,1423.57836914062,0.714203953742981,11.2882881164551,50.2506294250488,-47.2419853210449,1953.25732421875,51.5329284667969,1988.42944335938,48.326343536377,0.25,6.0,0.457657098770142,0.0,744.090026855469,0.789248287677765,,8.5895061728395,0.0242159310728312,5.49702541914548,1.40093696117401,1695.23815917969,1.05623698234558,1.04019999504089,,0.0197222158312798,0.5,224.469635009766,0.53506863117218,2.11999988555908,387.107025146484,0.542342901229858,4.0,11.8773231506348,2.75293874740601,52.5999984741211,-0.935292422771454,21.142276763916,0.0,-0.0674558281898499,0.754987955093384,1.0,6.20285034179688,0.24,686.527404785156,4.93690824508667,0.247184589505196,0.0,59.9558181762695,0.622854709625244,5.9812,2.16802096366882,-0.285691052675247,5.48673915863037,,-0.046412356197834,14.3522424697876,0.0,50.7649993896484,4.60834836959839,0.0102788805961609,320.515380859375,6.10168695449829,119.444557189941,0.0681882053613663,6.0,552.741821289062,8.04668807983398,0.0585946999490261,2.0,16.9593772888184,467.0,1.14801645278931,,0.404821008443832,1.30554282665253,2.47099995613098,0.0,1.46037209033966,3.0,64.28,0.0,8.58950614929199,0.136082768440247,266.005950927734,0.0,17.0,0.5,0.0,5.49702548980713,0.285683363676071,-59.3088340759277,-458.738098144531,13.0192022323608,0.0481125228106976,0.199034810066223,1207.76416015625,82.961,13.8122491836548,0.66884708404541,-33.0854339599609,7.05687046051025,0.81649661064148,0.0134987309575081,64.2013626098633,0.78461104631424,4.97187566757202,0.0795264393091202,0.0,0.100262925028801,2.0,0.285166174173355,3.21019530296326,0.241636574268341,2.08590865135193,1.08201599121094,1.3685896396637
InChI%3D1S%2FC7H4Cl3NO3%2Fc8-3-1-4%289%297%2811-6%283%2910%2914-2-5%2812%2913%2Fh1H%2C2H2%2C%28H%2C12%2C13%29,0.285609513521194,0.340672612190247,8.99665451049805,3.0,3.87917613983154,3.0,252.439993858337,0.661723911762238,0.111640796065331,0.0,0.327467739582062,0.215625941753387,39.8216552734375,-0.329835563898087,1.85399150848389,306.862823486328,792.083740234375,1.22505962848663,21.5159511566162,-452.458953857422,885.427856445312,7.89043951034546,6.92703676223755,34.1896324157715,-51.95166015625,1158.06457519531,43.8817253112793,1056.5751953125,32.6141510009766,0.0,3.0,0.297110974788666,2.90505623817444,142.070007324219,0.438080191612244,34.9710578918457,5.18559556786704,0.0437408275902271,3.59183673469388,0.0,679.586242675781,0.0,1.60689997673035,11.9985513687134,0.338276088237762,0.5,56.6283340454102,0.559834003448486,1.46000003814697,83.4965744018555,0.702889025211334,3.0,8.33685207366943,1.28202176094055,,-1.03638625144958,9.82682800292969,0.0,-0.118998616933823,0.284517794847488,1.0,2.90312910079956,0.214285714285714,288.891235351562,2.36031723022461,0.206075668334961,0.0,14.7360849380493,0.544802665710449,1.1705,0.611921787261963,-0.255913019180298,0.25,9.68872833251953,-0.126059740781784,4.59175682067871,0.0,53.8456993103027,2.33358860015869,0.185315892100334,129.710830688477,2.55570721626282,26.5019512176514,-0.128822922706604,3.0,191.254272460938,3.85326457023621,0.0239673480391502,1.0,19.0960941314697,168.0,1.00232315063477,3.69126772880554,0.372581213712692,0.980071365833282,1.47000002861023,0.0,1.25393283367157,5.0,62.25,3.0,5.18559551239014,0.0555555559694767,133.968231201172,0.0,7.0,0.5,0.0,3.59183669090271,0.205950379371643,-177.152008056641,-197.531661987305,8.89706134796143,0.0161374304443598,0.223618224263191,643.713256835938,50.4555,147.682418823242,0.564293265342712,-22.6807270050049,4.49948740005493,0.666666686534882,0.0,71.0477523803711,0.911290049552917,3.4028058052063,0.0614824593067169,1.0,0.112873218953609,1.0,0.292644500732422,2.13063788414001,0.193657428026199,1.20427596569061,2.58212757110596,0.772702872753143
InChI%3D1S%2FC6H8O6%2Fc7-1-2%288%295-3%289%294%2810%296%2811%2912-5%2Fh2%2C5%2C7-10H%2C1H2,0.319439470767975,0.139851212501526,7.11109399795532,6.0,6.08364343643188,2.0,168.059995651245,0.244958862662315,0.0297298952937126,0.0,0.286414802074432,0.436857044696808,16.6468143463135,-0.393215447664261,1.58824217319489,171.955383300781,472.321624755859,1.14774167537689,14.3246440887451,-352.071136474609,540.219787597656,5.09438419342041,5.08599472045898,21.4274806976318,-57.1300849914551,734.853393554688,24.3035507202148,612.085998535156,15.3159589767456,0.0,2.0,0.53065413236618,1.3442291021347,268.059997558594,1.08649110794067,16.0007839202881,3.80622837370242,0.0815325155854225,1.8595041322314,0.0,359.198211669922,0.0,-1.75929999351501,11.9963550567627,0.755041122436523,0.5,71.2290420532227,0.479043751955032,1.46000003814697,145.838348388672,0.46934586763382,0.0,10.9440078735352,0.992387473583221,,-0.960965156555176,11.6196556091309,0.0,-0.155934453010559,0.42198634147644,1.0,2.81999206542969,0.166666666666667,89.7461700439453,1.81742203235626,0.223347097635269,0.0,10.9934787750244,0.63394683599472,-1.4074,0.242502436041832,-0.168417930603027,0.0,8.26325798034668,-0.218943372368813,2.00685381889343,0.0,36.4584999084473,2.75469398498535,0.0723711773753166,194.417037963867,3.75595569610596,21.6334114074707,-0.0212198682129383,2.0,398.060363769531,4.68645620346069,0.061433169990778,1.0,29.8712635040283,109.0,0.61109459400177,4.17457628250122,0.400036066770554,0.649395048618317,-0.178000003099442,0.078567422926426,0.56864470243454,4.0,107.22,6.0,3.80622839927673,0.281063169240952,62.9997100830078,0.0294627826660872,7.0,2.35033822059631,0.0,1.85950410366058,0.449220955371857,22.4616508483887,-128.989151000977,5.96715831756592,0.055390790104866,0.191934525966644,750.131469726562,35.2562,276.626251220703,0.335568726062775,-20.93088722229,3.1958475112915,1.70639371871948,0.0,87.001350402832,0.865849673748016,2.30967831611633,0.0584451928734779,4.0,0.0604817979037762,1.0,0.268661856651306,1.4760023355484,0.155998602509499,0.822777032852173,3.09513640403748,0.387654721736908
InChI%3D1S%2FC7H7NO2%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4H%2C8H2%2C%28H%2C9%2C10%29,0.362979084253311,0.104194834828377,6.40175914764404,2.0,2.38110160827637,5.0,130.081996917725,0.659111022949219,0.0317815840244293,0.0,0.196483209729195,0.00794321577996016,11.9089260101318,-0.331026911735535,2.58277869224548,147.622085571289,449.891967773438,1.20376789569855,10.8303689956665,-162.669876098633,493.364807128906,8.15443325042725,3.81103730201721,14.7710237503052,-27.358512878418,616.551086425781,13.8269233703613,511.944854736328,10.6014852523804,0.0,1.0,0.564885139465332,2.48483514785767,199.029998779297,0.622466444969177,16.0060253143311,3.40828402366864,0.0605681352317333,1.99111111111111,0.0,256.833312988281,0.0,-0.228699997067451,11.9886617660522,0.340888977050781,0.400000005960464,65.0212097167969,0.494520246982574,1.89999997615814,71.6491165161133,0.435114860534668,0.0,6.97170639038086,0.705118358135223,63.3199996948242,-0.479468107223511,7.95044898986816,0.0,-0.0806389823555946,0.232307806611061,0.666666686534882,2.33534574508667,0.1,223.617614746094,1.34171581268311,0.40344825387001,0.0,9.89385318756104,0.215010762214661,-0.3677,0.240562617778778,-0.104750737547874,3.96540641784668,8.4421329498291,0.0243179220706224,5.55315780639648,0.0,40.5047988891602,1.49826681613922,-0.0614637583494186,191.649459838867,2.17455840110779,16.3737983703613,0.034843273460865,1.0,211.185165405273,2.13370633125305,0.00124078651424497,0.0,20.5490455627441,76.0,0.373803436756134,4.15986633300781,0.5192831158638,0.38775846362114,0.497000008821487,0.0,0.304398387670517,2.0,66.15,3.0,3.40828394889832,0.0833333358168602,50.0839729309082,0.0,10.0,0.5,0.0,1.99111115932465,0.131445854902267,44.0273666381836,-55.1892623901367,5.24221324920654,0.0277777779847383,0.297334164381027,373.855041503906,35.8714,115.653930664062,0.20114566385746,-9.2819652557373,2.79375624656677,0.0,0.0,47.9075584411621,0.804683804512024,1.89240300655365,0.0299263969063759,1.0,0.0372324176132679,1.0,0.189964458346367,1.19119846820831,0.265142470598221,0.691772222518921,0.0523036904633045,0.355156183242798
InChI%3D1S%2FC14H16F3N3O4%2Fc1-2-5-18%288-9-3-4-9%2913-11%2819%2821%2922%296-10%2814%2815%2C16%2917%297-12%2813%2920%2823%2924%2Fh6-7%2C9H%2C2-5%2C8H2%2C1H3,,1.10155487060547,13.3231792449951,5.0,4.13085174560547,5.0,331.164991378784,0.972713887691498,0.591061413288116,0.0,0.173761412501335,1.9513304233551,32.6839714050293,,3.84404993057251,315.601898193359,1241.14343261719,1.19804656505585,29.7901458740234,-486.988952636719,1482.58923339844,0.0,7.52779912948608,44.4582748413086,-40.3638381958008,1981.23522949219,46.3630905151367,2254.93408203125,54.2169647216797,0.0,8.0,0.506614148616791,4.71450662612915,1129.09997558594,0.781730055809021,,8.13148283418554,0.029000885784626,4.80340264650284,1.86821699142456,2305.02514648438,0.977589190006256,1.00969994068146,,0.0272861383855343,0.444444447755814,207.292297363281,0.411439418792725,1.89999997615814,319.861999511719,0.493385851383209,3.0,11.8663492202759,2.93109703063965,71.5199966430664,-0.761318147182465,25.5923118591309,0.0,-0.0631014779210091,0.851455628871918,0.800000011920929,5.72664833068848,0.32,622.211486816406,5.14957237243652,0.288523465394974,0.0,51.1274719238281,0.4652219414711,5.1946,2.37953448295593,-0.204799607396126,6.14874696731567,,0.0224138014018536,12.1425800323486,0.0,45.0452995300293,4.66341161727905,0.0936954021453857,324.063598632812,6.3134708404541,120.91675567627,-0.0350714512169361,8.0,500.045745849609,10.0939531326294,0.146461322903633,0.0,18.5508651733398,344.0,1.214390873909,,0.392579793930054,1.68843078613281,4.80200004577637,0.0,2.19697690010071,5.0,94.88,1.0,8.13148307800293,0.206930264830589,201.879653930664,0.0,13.0,1.44224953651428,0.0,5.25,0.309608340263367,8.46168327331543,-311.510040283203,12.8761119842529,0.131026595830917,0.175284057855606,987.034729003906,84.316,17.4540023803711,0.792937934398651,-25.8193550109863,7.43707180023193,0.0,0.0134987309575081,58.9147071838379,0.817428529262543,5.76447439193726,0.161929473280907,0.0,0.114049226045609,4.0,0.394027352333069,3.48698663711548,0.270110368728638,2.42873668670654,1.01949405670166,1.75879836082458
InChI%3D1S%2FC7H5Cl2FN2O3%2Fc8-3-5%2811%294%289%297%2812-6%283%2910%2915-1-2%2813%2914%2Fh1H2%2C%28H2%2C11%2C12%29%28H%2C13%2C14%29,0.285630524158478,0.308638602495193,9.31278800964355,4.0,6.53404712677002,3.0,249.991993904114,0.67463606595993,0.103565268218517,0.0,0.297228902578354,0.757827937602997,34.9709358215332,-0.329860895872116,1.75999104976654,286.32861328125,768.039245605469,1.17409372329712,21.312183380127,-524.017822265625,872.111694335938,4.07897090911865,6.79496908187866,33.5544319152832,-56.5564727783203,1177.1787109375,46.314998626709,1144.91320800781,34.1774024963379,0.0,3.0,0.367278873920441,0.853766322135925,190.080001831055,0.672167181968689,34.970157623291,5.36507936507936,0.0494097322225571,3.2256,0.0,740.218811035156,0.0,0.309899985790253,11.9985513687134,0.32536393404007,0.5,75.2143707275391,0.596085011959076,1.35000002384186,137.651870727539,0.632721126079559,3.0,10.1185283660889,1.38796746730804,,-1.15796029567719,11.0430345535278,0.0,-0.124976947903633,0.454530030488968,1.0,3.26132869720459,0.2,305.296600341797,2.39483785629272,0.188986480236053,0.0,18.4422721862793,0.615800738334656,0.2384,0.787346482276917,-0.265105962753296,0.0,9.81547832489014,-0.140970304608345,2.14426136016846,0.0,52.4916000366211,3.08845400810242,0.109528243541718,166.206649780273,3.92510628700256,36.8179893493652,-0.0290017742663622,3.0,304.179351806641,5.56965589523315,0.0813749805092812,1.0,22.3596458435059,181.0,1.02563977241516,3.67631340026855,0.330249518156052,1.10239863395691,0.727999985218048,0.0,1.18374264240265,5.0,88.27,4.0,5.36507940292358,0.0453609228134155,129.573791503906,0.0,8.0,0.5,0.0,3.22560000419617,0.213518694043159,-120.121971130371,-237.13655090332,8.64113235473633,0.0139754246920347,0.180160999298096,828.197204589844,49.8159,147.238662719727,0.508093118667603,-25.5937995910645,4.332848072052,0.666666686534882,0.0,78.9161224365234,0.922160387039185,3.18774819374084,0.0507496558129787,1.0,0.131667032837868,1.0,0.247759222984314,2.09870171546936,0.156022682785988,1.11214649677277,0.0960380136966705,0.595783889293671
InChI%3D1S%2FC6H6ClN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,0.111129604279995,0.095069095492363,5.24591398239136,1.0,0.333333343267441,6.0,121.525997161865,0.939196586608887,0.0,,0.23381070792675,0.00871196575462818,16.0727424621582,-0.302465289831161,1.85316288471222,145.794570922852,411.37646484375,1.25117433071136,10.1179227828979,-85.8647689819336,436.046875,10.9352178573608,3.38403940200806,14.2358455657959,-17.7794532775879,513.993774414062,11.2358455657959,341.955291748047,4.11792278289795,0.0,0.0,0.583696901798248,6.30231332778931,140.020004272461,0.34376448392868,34.9688529968262,2.52,0.0468066595494747,1.8,0.0,91.2741775512695,0.0,0.575399994850159,11.8500003814697,0.0608033835887909,0.400000005960464,71.5897369384766,0.476970613002777,1.89999997615814,42.1623115539551,0.416303128004074,1.0,5.74078178405762,0.577350258827209,26.0200004577637,-0.245179027318954,6.31924200057983,0.0,-0.050767607986927,0.0,0.666666686534882,1.4267463684082,0.0,328.918426513672,1.30473780632019,0.353258341550827,,6.31680250167847,0.0410009883344173,1.9222,0.0,-0.0123502882197499,3.30192732810974,8.33563137054443,-0.00201437715440989,5.65685415267944,,39.2218017578125,0.81649661064148,-0.0010634494246915,204.41796875,0.760079681873322,11.6173505783081,-0.0180799681693316,0.0,120.390640258789,1.13807117938995,0.00166071439161897,,16.3922786712646,58.0,0.329329013824463,5.52943229675293,0.495234131813049,0.259733587503433,0.901000022888184,0.0,0.316126346588135,0.0,26.02,1.0,2.51999998092651,0.0833333358168602,51.0590896606445,0.0,7.0,0.0,,1.79999995231628,0.16666667163372,58.6233940124512,-30.0709190368652,5.0206446647644,0.0277777779847383,0.51353257894516,206.255401611328,35.8644,21.2941074371338,0.285207271575928,-6.22658777236938,2.67698907852173,0.0,0.0,34.1717338562012,0.606096148490906,1.98798704147339,0.0475345477461815,,0.0,,0.278969526290894,1.12198138237,0.210716232657433,0.588768482208252,0.33108514547348,0.440440118312836
InChI%3D1S%2FC2I4%2Fc3-1%284%292%285%296,0.138920307159424,0.0,4.06232786178589,0.0,1.0,0.0,531.637996673584,1.0,0.0,0.0,0.235391199588776,1.72800938003093e-08,448.554656982422,-0.104324869811535,1.43323695659637,322.708648681641,1556.37353515625,2.09177088737488,43.2636795043945,-44.583309173584,1504.93591308594,20.1342144012451,2.6290910243988,265.541015625,-11.145827293396,1472.36682128906,446.554656982422,745.617614746094,0.0,0.0,0.0,0.0149748791009188,0.849113583564758,5.03999996185303,0.00206883111968637,126.907501220703,2.22222222222222,0.00103441555984318,3.0,0.0,0.0,0.0,3.35560011863708,11.9989471435547,0.0,0.333333343267441,1.60727405548096,0.738995432853699,1.24000000953674,0.222050443291664,0.985025107860565,4.0,0.111025221645832,0.666666686534882,0.0,-0.136084616184235,14.3599996566772,0.0,-0.0340211540460587,0.333333343267441,0.5,0.0,0.0,327.614654541016,0.0,0.352811723947525,0.0,3.76811051368713,0.0143147800117731,3.853,0.0,-0.00477159349247813,0.0,20.1363143920898,-0.00715739000588655,0.0,0.0,59.7634010314941,1.33333337306976,0.00477159349247813,4.90598964691162,0.0,7.8304386138916,0.0,0.0,0.677779376506805,0.0,4.25374180323956e-09,0.0,0.338889688253403,24.0,16.2994041442871,13.6504907608032,0.666666686534882,0.0,4.80999994277954,0.0,0.0,6.0,0.0,0.0,2.22222232818604,0.0,105.724075317383,0.0,2.0,0.0,0.0,3.0,0.0,-317.802673339844,-14.6061449050903,11.1418514251709,0.0,0.25,45.2610893249512,63.106,0.0,3.21428561210632,-3.65153622627258,5.32092571258545,0.0,0.0,11.4847173690796,0.63480269908905,8.96403408050537,0.0,0.0,10.3316326141357,0.0,0.686108767986298,6.42857122421265,0.5,0.0,11.2600517272949,0.0
InChI%3D1S%2FC12H14O3%2Fc1-3-14-11%2813%2910-12%282%2C15-10%299-7-5-4-6-8-9%2Fh4-8%2C10H%2C3H2%2C1-2H3,0.294083684682846,0.44832056760788,12.9919910430908,3.0,1.65096366405487,5.0,192.128994941711,0.85679966211319,0.229254543781281,0.0,0.340968668460846,1.09245014190674,17.3234062194824,-0.349864095449448,1.66239440441132,164.240020751953,765.213562011719,1.4294011592865,17.6604595184326,-214.494110107422,896.080688476562,3.82917809486389,10.2371463775635,22.7670211791992,-24.2140426635742,1097.31420898438,23.2093982696533,1037.65637207031,19.6567363739014,0.333333343267441,4.0,0.656862914562225,0.594752609729767,690.030029296875,0.857849478721619,15.9969234466553,4.47258979206049,0.0314394719898701,1.96875,2.58189058303833,805.167236328125,1.94416129589081,1.3128000497818,11.8500003814697,0.14320033788681,0.444444447755814,150.486434936523,0.517911493778229,2.45000004768372,196.532196044922,0.343137115240097,0.0,7.20274209976196,1.19065701961517,,-0.448130011558533,20.094898223877,0.0,-0.0505889877676964,0.395695686340332,0.800000011920929,3.92504262924194,0.25,410.100799560547,2.65130281448364,0.127955332398415,0.0,30.0178298950195,0.46637150645256,1.8637,0.93675309419632,-0.228901341557503,5.69588470458984,9.42935943603516,-0.0797488838434219,5.84420585632324,0.0,58.9953002929688,2.58098244667053,0.128975421190262,314.402557373047,3.88031935691833,61.6013298034668,-0.0559870675206184,4.0,410.603271484375,4.85832357406616,0.0840864330530167,2.0,15.0482692718506,211.0,1.10687875747681,4.45151567459106,0.459967106580734,1.29663181304932,1.34399998188019,0.185892507433891,1.30037224292755,5.0,38.83,3.0,4.47258996963501,0.692402184009552,78.6122665405273,0.0883883461356163,6.0,0.0,0.0,2.24000000953674,0.92249447107315,150.162521362305,-102.666007995605,8.89595317840576,0.194558545947075,0.267842322587967,625.097351074219,55.3,68.5417785644531,0.613547742366791,-11.5898723602295,5.08189058303833,0.81649661064148,0.0589255653321743,39.2623138427734,0.851412236690521,3.72301459312439,0.216861382126808,0.0,0.141058772802353,1.0,0.451522499322891,2.53556561470032,0.225141242146492,1.56783843040466,1.72344386577606,0.912188827991486
InChI%3D1S%2FC22H24N2O8%2Fc1-21%2831%298-5-4-6-11%2825%2912%288%2916%2826%2913-9%2821%297-10-15%2824%282%293%2917%2827%2914%2820%2823%2930%2919%2829%2922%2810%2C32%2918%2813%2928%2Fh4-6%2C9-10%2C15%2C25-26%2C30-32H%2C7%2C23H2%2C1-3H3,,2.8578634262085,17.279369354248,9.0,25.2554893493652,8.0,420.247989654541,0.583089470863342,1.92368590831757,0.0,0.278848558664322,2.15175938606262,38.9157295227051,,2.94338393211365,248.781051635742,2743.00634765625,1.31659042835236,38.321475982666,-864.544311523438,3484.29223632812,2.1244330406189,12.1842250823975,64.6975860595703,-66.0776443481445,5654.87744140625,88.2319030761719,6900.216796875,98.5991744995117,0.0,1.0,0.641921699047089,2.08728003501892,2372.10009765625,2.23075580596924,,8.29369797859691,0.0621454194188118,3.37035123966942,2.06384205818176,6625.544921875,8.43919086456299,-3.39549994468689,,0.416910529136658,0.454545468091965,309.856536865234,0.444123059511185,2.77999997138977,1076.7890625,0.358078271150589,0.0,29.9976844787598,3.92550897598267,181.619995117188,-1.24436545372009,29.337760925293,0.0,-0.0951076075434685,1.96559751033783,0.833333313465118,12.2058353424072,0.0285714285714286,405.111450195312,9.7955389022827,0.170340940356255,0.0,68.4138259887695,0.846275269985199,-1.7881,5.416428565979,-0.1579450070858,2.40685200691223,,-0.084120087325573,12.9168510437012,0.0,87.268798828125,10.2653741836548,-0.253435164690018,445.986145019531,18.6380615234375,162.861419677734,-0.0936982557177544,1.0,1549.85595703125,30.5482654571533,0.124527655541897,0.0,43.1765975952148,582.0,4.17410087585449,,0.493423998355865,6.37066555023193,0.987999975681305,0.0,9.1393928527832,3.0,182.82,9.0,8.29369831085205,0.171475127339363,172.844909667969,0.0,15.0,5.04098844528198,0.0,3.37035131454468,0.660680532455444,197.205108642578,-600.657043457031,17.6565856933594,0.0923945754766464,0.107488229870796,2414.400390625,111.3691,289.65576171875,1.87493407726288,-45.9085807800293,9.9702548980713,0.0,0.096824586391449,109.254241943359,0.835121393203735,8.96185398101807,0.267828583717346,5.0,0.637144446372986,3.0,0.379043340682983,7.00558853149414,0.0630701333284378,5.48943710327148,11.5294198989868,4.17581415176392
InChI%3D1S%2FC2H7O3P%2Fc1-2-5-6%283%294%2Fh6H%2C2H2%2C1H3%2C%28H%2C3%2C4%29,0.32168447971344,0.0,,4.0,0.0,0.0,102.992999076843,,0.0,0.0,,,13.9738206863403,-0.342293620109558,,,74.9427642822266,,12.6378469467163,,65.1851119995117,,,9.23433876037598,,53.243824005127,5.24302339553833,34.7199935913086,2.66418385505676,0.0,2.0,,,114.040000915527,,30.9745693206787,3.2,,5.33333333333333,1.0,18.3927516937256,0.0,0.24549999833107,11.9989995956421,,0.5,,,1.24000000953674,,,0.0,,0.40824830532074,70.0,,18.0064487457275,0.0,,0.0,1.0,0.577350258827209,0.4,,0.0,,0.0,,0.383322209119797,0.6726,0.0,-0.331193804740906,0.0,4.57263088226318,0.191814437508583,0.0,0.0,15.0614004135132,0.288675129413605,-0.0394734553992748,,0.288675129413605,,-0.0128082726150751,2.0,,0.0,,1.0,,31.0,0.079056940972805,1.98255825042725,,0.079056940972805,-0.837999999523163,0.0,0.0,6.0,80.67,3.0,3.20000004768372,0.0,,0.0,4.0,0.5,0.0,5.33333349227905,0.0,,,4.47081708908081,0.0,,,21.4513,,0.111803397536278,,2.8913471698761,1.0,0.0,,,1.5194103717804,0.0,1.0,0.0,1.0,,0.803438544273376,,0.370425850152969,0.0602702498435974,0.0
InChI%3D1S%2FC9H19NOS%2Fc1-4-7-10%288-5-2%299%2811%2912-6-3%2Fh4-8H2%2C1-3H3,0.261169016361237,0.499101728200912,12.239465713501,3.0,0.0,0.0,170.171998023987,0.94204968214035,0.193649172782898,0.0,0.178631171584129,0.773614406585693,19.2622108459473,-0.267496883869171,4.47089576721191,89.5360946655273,721.189575195312,1.44864976406097,15.1702184677124,-75.5567779541016,736.148559570312,7.02163124084473,6.99495506286621,19.2254848480225,-10.370530128479,808.208618164062,17.8344020843506,810.279907226562,17.5020313262939,0.0,7.0,0.80918025970459,1.28456366062164,768.030029296875,0.682842552661896,31.9720706939697,7.63888888888889,0.0245602037757635,5.32544378698225,4.58965730667114,697.434143066406,0.825481832027435,0.376700013875961,11.8900003433228,0.0579503290355206,0.428571432828903,178.153793334961,0.47123721241951,2.11999988555908,150.33854675293,0.190819725394249,0.0,5.40731573104858,0.402368932962418,45.6100006103516,-0.161026939749718,25.9889335632324,0.0,-0.0221017189323902,0.117851130664349,0.75,2.14599895477295,0.636363636363636,442.026885986328,1.26007962226868,0.365285217761993,0.0,40.1438636779785,0.208221346139908,2.9815,0.16666667163372,-0.177008062601089,3.58146524429321,10.0455722808838,0.14406281709671,2.12570738792419,0.0,52.271598815918,1.02022004127502,-0.0693128257989883,379.682159423828,1.44280898571014,76.5771255493164,-0.00612780265510082,7.0,320.402191162109,1.65829122066498,0.0632065534591675,0.0,11.5240955352783,116.0,0.577858865261078,5.46899223327637,0.449148923158646,0.871702790260315,2.28800010681152,0.0,1.02500665187836,12.0,45.61,2.0,7.63888883590698,0.0,42.0119705200195,0.0,3.0,0.0,1.0,5.32544374465942,0.0,290.146057128906,-35.4526176452637,9.11574077606201,0.0,0.316909849643707,395.958953857422,55.683,27.1913509368896,0.223606795072556,-4.866042137146,5.65990447998047,0.0,0.0,21.894624710083,0.658535718917847,3.90123462677002,0.0,0.0,0.0559016987681389,1.0,0.528263628482819,2.30688452720642,0.309442311525345,1.6610734462738,0.141902893781662,1.05626559257507
InChI%3D1S%2FC13H16F3N3O4%2Fc1-7%282%2917%288%283%294%2912-10%2818%2820%2921%295-9%2813%2814%2C15%2916%296-11%2812%2919%2822%2923%2Fh5-8H%2C1-4H3,,0.729861319065094,11.6517162322998,5.0,6.35979080200195,5.0,319.153991699219,0.999637365341187,0.331843882799149,0.0,0.216244980692863,1.84447240829468,31.6839733123779,,2.5638382434845,285.942016601562,1227.88500976562,1.24780833721161,27.7901458740234,-429.832702636719,1451.73327636719,0.0,7.24340534210205,45.7906455993652,-37.5454864501953,2089.86694335938,46.8645324707031,2355.82861328125,55.2169647216797,0.0,6.0,0.450475454330444,0.0523181706666946,1015.09997558594,0.677162051200867,,7.92,0.0156639758497477,4.98866213151927,1.60000002384186,2339.4501953125,7.77664518356323,1.12249994277954,,0.000362628896255046,0.5,121.96996307373,0.423742920160294,1.78999996185303,183.347229003906,0.549524545669556,3.0,4.24115133285522,3.33808398246765,71.5199966430664,-0.826054275035858,25.5923118591309,0.0,-0.0721550732851028,1.05515933036804,1.0,5.75495624542236,0.260869565217391,520.155700683594,4.68422794342041,0.220039531588554,0.0,36.6601104736328,0.463155657052994,5.1914,1.59969186782837,-0.196247428655624,0.5,,0.00787213258445263,5.60793161392212,0.0,45.494800567627,5.45274448394775,0.0899641513824463,234.402374267578,7.7232494354248,82.5653762817383,-0.0273882932960987,6.0,352.357482910156,11.4156951904297,0.158300489187241,0.0,8.15066242218018,275.0,1.78220582008362,,0.43597599864006,2.66484522819519,5.04899978637695,0.0,2.92824816703796,7.0,94.88,1.0,7.92000007629395,0.0555555559694767,148.788330078125,0.0,13.0,1.44224953651428,0.0,4.9886622428894,0.124002821743488,-51.5396423339844,-223.661041259766,12.9179286956787,0.020833333954215,0.176739528775215,782.190185546875,81.839,0.188691914081573,1.06794381141663,-19.5365829467773,6.69856309890747,0.0,0.0134987309575081,45.6961479187012,0.832382380962372,5.46984958648682,0.0383675172924995,0.0,0.253803461790085,4.0,0.388089388608932,3.16128253936768,0.277267694473267,2.42342233657837,1.2600063085556,1.3601850271225
InChI%3D1S%2FC14H9Cl5%2Fc15-11-5-1-9%282-6-11%2913%2814%2817%2C18%2919%2910-3-7-12%2816%298-4-10%2Fh1-8%2C13H,0.306619226932526,1.02205514907837,10.776068687439,0.0,3.34162521362305,10.0,345.418991088867,1.0,0.878574252128601,0.0,0.225651398301125,1.69161534309387,57.5637664794922,-0.144389227032661,2.25025057792664,406.167053222656,1673.93530273438,1.42560839653015,29.7586860656738,-425.78466796875,1946.03723144531,8.82912158966064,6.83420276641846,65.800422668457,-40.7452239990234,2693.67822265625,47.5173721313477,2666.55395507812,55.3243217468262,0.0,3.0,0.371864497661591,0.0,499.049987792969,0.389825314283371,34.9729804992676,6.18549346016647,0.0244131200015545,3.98615916955017,0.0,2458.00244140625,0.0,4.80690002441406,11.9985179901123,0.0,0.5,155.484619140625,0.488753169775009,2.45000004768372,162.994430541992,0.628135502338409,5.0,10.2076559066772,2.37293410301208,0.0,-0.658474028110504,11.9388628005981,0.0,-0.0630123019218445,0.38490018248558,1.0,5.08907318115234,0.15,646.623291015625,4.08747339248657,0.20881924033165,0.0,30.7460689544678,0.181655734777451,6.4955,1.95164883136749,-0.0869998782873154,8.69190216064453,13.3603820800781,-0.0154476864263415,15.6241292953491,0.0,93.4157028198242,3.20785856246948,0.012772997841239,240.456253051758,5.42788887023926,67.5369262695312,0.0449863858520985,3.0,252.07014465332,7.53105354309082,0.156978890299797,0.0,15.7860927581787,290.0,2.37673115730286,6.19721698760986,0.495589077472687,3.64608716964722,4.05600023269653,0.0,4.33341360092163,5.0,0.0,0.0,6.18549346923828,0.16666667163372,262.637084960938,0.0,6.0,0.0,0.0,3.98615908622742,0.262891709804535,-165.710800170898,-275.322296142578,13.3656196594238,0.0555555559694767,0.124397866427898,677.854797363281,85.037,0.0,2.48497605323792,-26.3468112945557,7.34349346160889,0.0,0.420848786830902,56.5313148498535,0.674894511699677,7.31953859329224,0.095069095492363,0.0,0.326477825641632,0.0,0.441266179084778,3.8926100730896,0.265073329210281,2.88878059387207,23.1062870025635,1.95020616054535
InChI%3D1S%2FC10H12N2O3S%2Fc1-7%282%2912-10%2813%298-5-3-4-6-9%288%2911-16%2812%2C14%2915%2Fh3-7%2C11H%2C1-2H3,0.36947101354599,0.823575437068939,11.0331439971924,5.0,3.14734530448914,5.0,228.187996864319,0.918654978275299,0.45406386256218,0.0,0.305882483720779,0.858345866203308,25.1711368560791,-0.273743838071823,1.99728953838348,165.717559814453,1261.48596191406,1.30335605144501,27.1703758239746,-208.691360473633,1496.51354980469,6.40169620513916,8.17750835418701,36.074161529541,-25.6678295135498,2227.17749023438,41.2214813232422,2239.96362304688,37.2580032348633,0.0,1.0,0.605900347232819,0.0464733839035034,601.059997558594,0.763022124767303,31.9748306274414,4.3491124260355,0.0321428962051868,2.20415224913495,1.34275674819946,1770.99816894531,2.87443280220032,-0.758099973201752,11.9989995956421,0.0813449993729591,0.428571432828903,107.133697509766,0.567154228687286,1.89999997615814,134.915557861328,0.394099682569504,0.0,5.68342256546021,1.97523474693298,,-0.496297419071198,23.1924839019775,0.0,-0.061041709035635,0.530697226524353,0.75,5.48128986358643,0.0588235294117647,386.291290283203,3.3772406578064,0.181026324629784,0.0,25.0663471221924,0.341001242399216,2.3642,1.37829053401947,-0.259424895048141,3.96540641784668,11.9389743804932,0.276938706636429,6.01872634887695,0.0,62.8418006896973,3.58151912689209,-0.261385858058929,254.779006958008,7.44410753250122,50.1187286376953,0.0714824572205544,1.0,320.848175048828,9.46625232696533,0.077797032892704,0.0,13.5159778594971,179.0,1.65964698791504,5.98864841461182,0.460903257131577,2.54656839370728,0.444000005722046,0.0,2.71830129623413,3.0,74.86,5.0,4.34911251068115,0.122617043554783,69.6836700439453,0.0,13.0,0.94494080543518,0.0,2.20415234565735,0.303125232458115,89.0614471435547,-87.7540054321289,9.42581939697266,0.0520142391324043,0.217186108231544,529.53955078125,54.7336,34.2052917480469,0.855325043201447,-10.79323387146,5.69731140136719,0.0,0.0323152802884579,39.1838073730469,0.792617559432983,4.71716976165771,0.0994400382041931,0.0,0.233161211013794,3.0,0.275298625230789,3.21429538726807,0.231139644980431,2.48804807662964,0.574715614318848,1.39613258838654
InChI%3D1S%2FC23H26O3%2Fc1-16%282%2913-20-21%2823%2820%2C3%294%2922%2824%2925-15-17-9-8-12-19%2814-17%2926-18-10-6-5-7-11-18%2Fh5-14%2C20-21H%2C15H2%2C1-4H3,0.266140699386597,0.959482610225677,16.9074001312256,3.0,5.31624794006348,12.0,324.249991416931,0.916611433029175,0.458404421806335,0.0,0.221383616328239,1.48136186599731,28.3234062194824,-0.311301827430725,4.7995433807373,255.595321655273,1597.27319335938,1.42982006072998,29.6604595184326,-436.204406738281,1850.11791992188,1.88657987117767,10.6264953613281,40.0991134643555,-26.8296909332275,2330.04858398438,37.6530113220215,2140.37939453125,36.9851036071777,0.200000002980232,7.0,0.668815553188324,0.553984224796295,2266.03002929688,1.14141488075256,15.9969320297241,9.0,0.0297061260789633,5.09342560553633,4.95191383361816,1986.35803222656,6.24484920501709,3.67880010604858,11.8900003433228,0.0833885744214058,0.466666668653488,398.356964111328,0.552597105503082,3.66000008583069,679.844421386719,0.331184417009354,0.0,17.6934299468994,2.38108277320862,35.5299987792969,-0.565206348896027,33.2133827209473,0.0,-0.0347642339766026,0.282117545604706,0.875,7.03526210784912,0.25,707.4052734375,5.55336618423462,0.283872336149216,0.0,73.8538665771484,0.394652277231216,5.76050000000001,2.08709526062012,-0.227085039019585,13.4274263381958,9.88461112976074,0.0654188469052315,16.5227203369141,0.0,113.098602294922,3.77821469306946,-0.0492792539298534,516.166015625,5.5912127494812,166.314163208008,-0.0530009195208549,7.0,880.899841308594,7.23982620239258,0.0876161828637123,2.0,22.9260387420654,644.0,2.22246408462524,5.01649141311646,0.398597568273544,2.40153884887695,4.44899988174438,0.496193736791611,2.70212411880493,4.0,35.53,2.0,9.0,1.1257266998291,197.258590698242,0.407229274511337,13.0,0.0,0.0,5.51770114898682,1.37706232070923,260.570678710938,-336.645690917969,15.8600549697876,0.572006940841675,0.181991517543793,1317.10424804688,102.946,64.356071472168,1.68096351623535,-20.7061176300049,9.0121431350708,0.534522473812103,0.16666667163372,49.755729675293,0.636061012744904,7.73906850814819,0.598720610141754,0.0,0.193447262048721,1.0,0.478625416755676,4.76929140090942,0.15588952600956,3.09532594680786,13.5335693359375,2.11736416816711
InChI%3D1S%2FC9H9N3O2%2Fc1-14-9%2813%2912-8-10-6-4-2-3-5-7%286%2911-8%2Fh2-5H%2C1H3%2C%28H2%2C10%2C11%2C12%2C13%29,0.280886143445969,0.39181986451149,10.9622955322266,4.0,2.67269611358643,6.0,182.11799621582,0.801435828208923,0.223214328289032,0.0,0.344613522291183,0.921208143234253,16.6289024353027,-0.32576185464859,1.34998190402985,133.107955932617,733.778747558594,1.21235692501068,16.99338722229,-206.799911499023,842.078369140625,6.85246706008911,8.69110488891602,23.626106262207,-24.5736999511719,1135.83813476562,19.491943359375,912.434448242188,15.878604888916,0.0,2.0,0.685013294219971,1.15401232242584,494.049987792969,1.06425404548645,15.995922088623,4.68,0.0545856356620789,2.5344,0.534522473812103,655.700012207031,0.970983564853668,0.995999991893768,11.9944458007812,0.198564171791077,0.5,122.327102661133,0.493169575929642,1.89999997615814,190.050491333008,0.314986675977707,0.0,9.74769687652588,0.826132595539093,,-0.489371329545975,16.58127784729,1.5,-0.0581512041389942,0.0833333358168602,1.0,3.78574156761169,0.133333333333333,338.673004150391,2.86263370513916,0.123147740960121,1.0,20.9827651977539,0.402431428432465,1.7548,1.34748339653015,-0.397355079650879,3.96540641784668,8.82100296020508,0.360863924026489,5.61932992935181,0.0,54.2915000915527,1.70845210552216,-0.295625060796738,289.474853515625,2.593590259552,42.7534446716309,0.218632310628891,2.0,449.735504150391,3.10000276565552,0.0840342417359352,1.0,23.066951751709,185.0,0.483388423919678,4.52808856964111,0.356739789247513,0.637202382087708,1.87199997901917,0.096225045621395,0.604162633419037,5.0,70.5,5.0,4.67999982833862,0.287457466125488,56.249137878418,0.0360843911767006,8.0,0.0,0.0,2.53439998626709,0.397697448730469,156.366897583008,-87.3900909423828,7.6894268989563,0.0855818763375282,0.209595710039139,656.535400390625,52.8265,83.9098052978516,0.249712124466896,-10.3844232559204,4.22248554229736,0.5,0.0,47.6406517028809,0.892311334609985,2.85259318351746,0.0905647873878479,1.0,0.020833333954215,0.0,0.362447559833527,1.9336199760437,0.1807641685009,1.29321253299713,0.992016017436981,0.795491576194763
InChI%3D1S%2FC12H12ClN5O4S%2Fc1-7-14-10%2817-12%2815-7%2922-2%2916-11%2819%2918-23%2820%2C21%299-6-4-3-5-8%289%2913%2Fh3-6H%2C1-2H3%2C%28H2%2C14%2C15%2C16%2C17%2C18%2C19%29,0.288002103567123,0.72405070066452,11.5562219619751,8.0,4.09288930892944,6.0,345.682994842529,0.850663542747498,0.344167679548264,0.0,0.086117684841156,3.02772092819214,41.7383232116699,-0.352498441934586,3.34950041770935,280.318481445312,1637.87683105469,1.37817347049713,37.339729309082,-692.9072265625,1873.62878417969,0.410047382116318,5.17900085449219,50.3307647705078,-46.5189552307129,2577.07470703125,57.7764625549316,2492.36206054688,56.3707275390625,0.0,4.0,0.543376564979553,0.0936402454972267,1094.10998535156,1.34314930438995,34.9693794250488,8.39273356401384,0.0427879057824612,5.5,0.764521598815918,2231.55932617188,2.71335864067078,0.29449999332428,11.9985237121582,0.149336472153664,0.5,204.780258178711,0.4762102663517,1.57000005245209,506.187530517578,0.456623405218124,1.0,16.1253147125244,2.38962864875793,,-1.1287077665329,30.9233112335205,3.63872194290161,-0.0757768154144287,0.367851138114929,1.0,6.60300874710083,0.166666666666667,522.217468261719,4.18325662612915,0.289843887090683,2.0,43.1689872741699,0.707091867923737,2.0595,1.4756852388382,-0.598640203475952,3.96540641784668,12.1786966323853,0.618896842002869,5.2049355506897,0.0,85.3779983520508,3.82744979858398,-0.718420326709747,333.575775146484,7.00676155090332,107.247283935547,0.61362761259079,4.0,824.551635742188,8.21118927001953,0.261999189853668,1.0,26.2672500610352,446.0,1.56691825389862,4.86093854904175,0.481975823640823,2.12365484237671,1.09300005435944,0.0,2.04141855239868,7.0,138.27,9.0,8.39273357391357,0.151374712586403,172.085922241211,0.0,16.0,0.94494080543518,0.0,5.5,0.289266437292099,53.2572860717773,-425.371795654297,13.5314903259277,0.0486111119389534,0.142557471990585,1517.45886230469,81.9805,91.6768035888672,0.887907803058624,-28.5577201843262,7.69405603408813,0.412740916013718,0.0323152802884579,72.7862014770508,0.603503525257111,5.84090280532837,0.0942388847470284,1.0,0.148494318127632,2.0,0.419987410306931,3.91054916381836,0.116432093083858,2.6632125377655,0.0867302492260933,1.45293772220612
InChI%3D1S%2FC10H12O3%2Fc1-2-7-13-10%2812%298-3-5-9%2811%296-4-8%2Fh3-6%2C11H%2C2%2C7H2%2C1H3,0.293254345655441,0.239338234066963,10.4938526153564,3.0,1.31037068367004,5.0,168.106995582581,0.713738799095154,0.0983586758375168,0.0,0.304332137107849,1.12059211730957,15.3234071731567,-0.360452473163605,1.61715412139893,143.080352783203,577.852966308594,1.35802483558655,14.3283681869507,-169.160217285156,622.098754882812,10.6433486938477,7.75610637664795,18.434928894043,-30.8438720703125,752.699890136719,17.6567363739014,669.858520507812,12.9925518035889,0.0,4.0,0.652653872966766,0.327578246593475,469.029998779297,0.771615862846375,15.996922492981,5.671875,0.0379913561046124,3.7037037037037,1.53778803348541,463.675109863281,0.552604734897614,0.328500002622604,11.8500003814697,0.286261171102524,0.444444447755814,110.743423461914,0.582212746143341,2.23000001907349,130.929092407227,0.347346156835556,0.0,6.44643831253052,0.6910440325737,46.5299987792969,-0.41065838932991,15.9924840927124,0.0,-0.0748775079846382,0.117851130664349,0.800000011920929,2.6167004108429,0.307692307692308,294.006439208984,2.04807662963867,0.15410490334034,0.0,23.0464210510254,0.326969474554062,1.959,0.514425337314606,-0.202349692583084,5.03405094146729,8.50610065460205,0.0776524692773819,8.10121250152588,0.0,51.1553993225098,1.42846834659576,-0.00718582887202501,268.844055175781,1.67441380023956,47.5956573486328,-0.00793563667684793,4.0,317.847381591797,2.04430079460144,0.106785573065281,1.0,15.6495666503906,172.0,0.327908039093018,4.60718822479248,0.376707524061203,0.329024136066437,1.37000000476837,0.0,0.336629718542099,6.0,46.53,2.0,5.671875,0.0833333358168602,58.938289642334,0.0,10.0,0.16666667163372,0.0,3.70370364189148,0.131445854902267,125.763694763184,-69.6812210083008,7.48732471466064,0.0277777779847383,0.304835230112076,487.007598876953,48.6803,117.917961120605,0.199535593390465,-12.7053442001343,4.19900417327881,0.577350258827209,0.0,46.4934387207031,0.560598909854889,2.68279314041138,0.0263114888221025,1.0,0.0138888889923692,1.0,0.399104595184326,1.54028749465942,0.248006895184517,0.875606000423431,0.107912249863148,0.562857329845428
InChI%3D1S%2FCCl3F%2Fc2-1%283%2C4%295,0.440131902694702,0.0,2.25067687034607,0.0,0.0,0.0,137.36799621582,0.795783817768097,0.0,0.0,0.0258257873356342,0.595315337181091,29.6403045654297,-0.168993905186653,0.827635288238525,292.399993896484,198.49528503418,1.16952693462372,10.4369974136353,-121.9248046875,189.3271484375,20.6753559112549,0.827726304531097,40.1453018188477,-28.5764408111572,190.608612060547,0.0,0.0,0.0,0.0,0.0,0.204216197133064,75.0364837646484,4.03999996185303,0.0851539671421051,34.9710578918457,1.0,0.0851539671421051,0.0,0.0,0.0,0.0,3.29780006408691,11.999472618103,0.204216197133064,0.5,27.5711421966553,0.399997651576996,1.12999999523163,11.4966011047363,0.795783817768097,4.0,11.4966011047363,2.0,0.0,-0.331825524568558,2.46300005912781,0.0,-0.0777724608778954,0.0,1.0,0.0,0.0,292.399993896484,0.0,0.367727279663086,0.0,1.67051756381989,0.222923904657364,2.2836,0.0,-0.173871904611588,0.0,8.39384937286377,0.0624099485576153,0.0,0.0,22.2140007019043,0.0,0.0,75.0364837646484,0.0,4.32901859283447,0.0,0.0,31.2886753082275,0.0,0.26450502872467,0.0,31.2886753082275,12.0,0.0,4.8744969367981,0.400001108646393,0.0,2.72699999809265,0.0,0.0,5.0,0.0,0.0,1.0,0.0,107.438430786133,0.0,0.0,0.0,0.0,,0.0,-217.363525390625,-44.7996215820312,4.27964496612549,0.0,0.405199259519577,153.213485717773,21.398,75.0364837646484,1.4578629732132,-10.5000267028809,1.88982236385345,0.0,0.275510191917419,59.8651161193848,0.616935908794403,2.57142853736877,0.0,0.0,0.0,0.0,0.369528234004974,0.0,1.0,0.0,10.8754844665527,0.0
InChI%3D1S%2FC10H11F3N2O%2Fc1-15%282%299%2816%2914-8-5-3-4-7%286-8%2910%2811%2C12%2913%2Fh3-6H%2C1-2H3%2C%28H%2C14%2C16%29,0.436830848455429,0.270296722650528,10.6636238098145,3.0,1.19055080413818,5.0,221.116993904114,0.849528789520264,0.14745432138443,0.0,0.262035250663757,1.25228810310364,22.0005779266357,-0.335421353578568,2.13113403320312,202.731826782227,706.29638671875,1.40005314350128,18.9083728790283,-298.494903564453,784.760131835938,5.55905771255493,7.28020191192627,31.0507774353027,-32.1212730407715,1021.42913818359,26.3179130554199,933.098510742188,21.8196353912354,0.0,3.0,0.534498989582062,0.0,489.059997558594,0.78697669506073,19.0012550354004,5.55765595463138,0.0367726869881153,4.42361111111111,1.40537643432617,731.449401855469,1.65096366405487,1.98919999599457,11.9974451065063,0.150471210479736,0.5,101.379341125488,0.619590997695923,1.89999997615814,149.267227172852,0.465501010417938,3.0,6.97473859786987,2.283522605896,35.8300018310547,-0.685386657714844,18.9342765808105,0.0,-0.0737549960613251,0.668714940547943,1.0,3.08958840370178,0.1875,369.980987548828,2.51276445388794,0.199850827455521,1.0,27.3007907867432,0.468754917383194,2.8125,1.07689714431763,-0.378765612840652,3.53277564048767,8.81563472747803,0.24727563560009,5.77497339248657,0.0,57.8689002990723,3.39971566200256,-0.0835680961608887,232.781341552734,3.26556587219238,57.3937721252441,-0.103376008570194,3.0,342.738708496094,4.3537712097168,0.11743550747633,0.0,16.0149898529053,200.0,0.73736035823822,3.56511473655701,0.443529069423676,0.559092283248901,2.04200005531311,0.0,0.601892173290253,6.0,35.83,3.0,5.55765581130981,0.0833333358168602,88.2923812866211,0.0,10.0,0.0,0.0,4.42361116409302,0.100592233240604,30.0495223999023,-129.998458862305,8.7849349975586,0.0277777779847383,0.227770626544952,641.233642578125,54.8548,65.5321884155273,0.560337424278259,-13.9892377853394,4.42716836929321,0.0,0.0134987309575081,48.1362609863281,0.76752495765686,3.35431790351868,0.0263114888221025,1.0,0.080435648560524,0.0,0.336933076381683,1.80258059501648,0.283025085926056,0.967251718044281,3.95691657066345,0.630167424678802
InChI%3D1S%2FC8H19O2PS2%2Fc1-4-7-12-11%289%2C10-6-3%2913-8-5-2%2Fh4-8H2%2C1-3H3,0.300952553749084,1.43813097476959,13.6845808029175,4.0,0.0,0.0,223.194000244141,0.922607362270355,0.740656554698944,0.0,0.269332200288773,1.56150698661804,32.4548568725586,-0.310874938964844,2.64728283882141,137.039016723633,790.868957519531,1.38050889968872,32.3120613098145,-130.46159362793,822.57568359375,0.278943717479706,9.47579097747803,39.5359992980957,-15.13512134552,928.455749511719,30.4156894683838,893.053466796875,25.4972801208496,0.0,8.0,0.730939447879791,0.766156494617462,805.049987792969,0.695856809616089,31.9730739593506,7.40816326530612,0.0234071705490351,6.12244897959184,4.15736055374146,784.805786132812,0.0,0.920199990272522,11.8900003433228,0.0773926302790642,0.5,189.61376953125,0.546417534351349,1.78999996185303,180.512939453125,0.269060522317886,0.0,6.07207870483398,0.926776707172394,86.7099990844727,-0.256146520376205,31.1249332427979,0.0,-0.0297160893678665,0.0,1.0,2.18566012382507,0.666666666666667,469.906188964844,1.45710682868958,0.193450048565865,0.0,44.0153617858887,0.286580353975296,4.4174,0.301776707172394,-0.242748066782951,2.89720273017883,11.2482538223267,0.2088283598423,0.0,1.0,60.9308013916016,1.43566012382507,-0.118126168847084,372.285095214844,2.17049503326416,96.8704986572266,-0.00190092669799924,8.0,354.416656494141,2.00888347625732,0.11410703510046,1.0,11.9218368530273,138.0,1.8405876159668,5.18894386291504,0.439176559448242,2.75828766822815,2.62700009346008,0.0,2.76215481758118,13.0,86.71,2.0,7.40816307067871,0.0,69.7972717285156,0.0,3.0,0.0,2.0,6.12244892120361,0.0,235.246078491211,-66.4472351074219,10.4726762771606,0.0,0.326492071151733,484.878234863281,64.7305,39.4179306030273,1.09599328041077,-7.7086820602417,7.33403301239014,0.5,0.16778901219368,27.056957244873,0.661527037620544,6.33054780960083,0.0,0.0,0.0,1.0,0.394914835691452,5.16705656051636,0.316086024045944,3.89250564575195,0.846768021583557,2.96262621879578
InChI%3D1S%2FC12H6F2N2O2%2Fc13-12%2814%2917-10-3-1-2-8%2811%2810%2918-12%299-6-16-5-7%289%294-15%2Fh1-3%2C5-6%2C16H,0.495833218097687,0.812174081802368,9.24170875549316,3.0,5.67623996734619,5.0,242.139993667603,0.771826505661011,0.47149869799614,0.0,0.181743144989014,1.08509290218353,23.2730026245117,-0.314658999443054,2.83655643463135,249.952301025391,981.357421875,1.32429265975952,22.9904937744141,-383.152008056641,1186.80590820312,3.25770163536072,5.32005882263184,38.5317687988281,-45.1554718017578,1728.79443359375,31.6523418426514,1542.90002441406,31.0123291015625,0.5,1.0,0.5616774559021,6.58109140396118,594.059997558594,0.860995650291443,18.9994087219238,4.83555555555556,0.0542008429765701,2.4,0.0,1354.5654296875,0.0,1.23249995708466,11.996711730957,0.228173464536667,0.5,182.647476196289,0.570179045200348,2.11999988555908,279.980407714844,0.4383225440979,2.0,17.6251449584961,1.94868838787079,,-0.671904861927032,18.4900703430176,0.0,-0.0791857540607452,0.247193872928619,1.0,6.06377601623535,0.05,440.132080078125,4.66369438171387,0.306929886341095,0.0,23.941333770752,0.61980938911438,2.87488,2.16496467590332,-0.47565495967865,4.87876176834106,10.2558288574219,0.274719446897507,12.2839937210083,0.0,62.2831001281738,3.24401473999023,-0.10408503562212,320.295135498047,5.9260950088501,49.5577964782715,0.0108337011188269,1.0,490.980560302734,8.07156562805176,0.117412596940994,2.0,30.9078922271729,246.0,1.15677285194397,3.53008604049683,0.434369087219238,1.69709599018097,0.736999988555908,0.201184466481209,1.81945860385895,2.0,58.04,2.0,4.83555555343628,0.493120849132538,142.534652709961,0.10416666418314,8.0,0.0,0.0,2.40000009536743,0.789246201515198,70.3428192138672,-218.491439819336,9.32060432434082,0.145582914352417,0.205211356282234,874.132568359375,57.1467,130.115341186523,0.55030745267868,-25.7497901916504,5.5963716506958,0.0,0.0119047621265054,76.063362121582,0.868324398994446,4.34232664108276,0.162817075848579,0.0,0.104725830256939,0.0,0.319744527339935,3.23851728439331,0.323438435792923,2.42321848869324,1.51905620098114,1.42742276191711
InChI%3D1S%2FC4H10NO3PS%2Fc1-4%286%295-9%287%2C8-2%2910-3%2Fh1-3H3%2C%28H%2C5%2C6%2C7%29,0.358372956514359,0.0,9.02114582061768,5.0,0.0,0.0,173.08899974823,0.755445003509521,0.0,0.0,0.157351940870285,0.620276629924774,24.4615612030029,-0.348336189985275,3.50116086006165,141.957489013672,367.042053222656,1.35420048236847,24.2630100250244,-159.994918823242,374.647430419922,9.95345211029053,4.89970827102661,26.8959255218506,-28.4068489074707,444.134765625,20.346492767334,382.892211914062,15.4393062591553,0.0,3.0,0.69222754240036,1.40122139453888,271.059997558594,0.780183434486389,31.9726791381836,4.0,0.0414673537015915,3.70247933884298,0.0,268.755554199219,1.19055080413818,-0.0861999988555908,11.9985370635986,0.244554981589317,0.400000005960464,147.267227172852,0.564657151699066,1.24000000953674,165.979309082031,0.307772427797318,0.0,8.82192802429199,1.33502495288849,94.0,-0.34687864780426,22.6060695648193,0.0,-0.0615877658128738,0.0,0.666666686534882,1.5242737531662,0.333333333333333,348.442779541016,0.577350258827209,0.388105988502502,1.0,22.3655319213867,0.417277187108994,2.0803,0.0,-0.369916975498199,0.0,8.37500381469727,0.349547892808914,0.0,1.0,41.1959991455078,1.94841480255127,-0.282145082950592,319.284240722656,2.64946508407593,42.0273170471191,0.11801590025425,3.0,359.853179931641,1.86913502216339,0.0687580779194832,1.0,19.1264743804932,70.0,1.01645171642303,4.41748332977295,0.520902693271637,1.08075726032257,0.314999997615814,0.0,0.594219148159027,10.0,94.0,4.0,4.0,0.0,65.4767227172852,0.0,6.0,0.25,1.0,3.70247936248779,0.0,177.326751708984,-73.7963333129883,7.10682487487793,0.0,0.309021323919296,519.848083496094,43.8683,112.798965454102,0.587174296379089,-13.102424621582,4.25034856796265,0.70710676908493,0.0612678863108158,47.5333213806152,0.678141891956329,3.18897604942322,0.0,1.0,0.0,1.0,0.268640607595444,2.13226652145386,0.317948848009109,1.02398812770844,0.0074304398149252,0.354670852422714
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%29,0.416929841041565,0.613401293754578,15.7575168609619,4.0,6.48384094238281,10.0,354.602990150452,0.775577962398529,0.331163734197617,0.0,0.33513942360878,0.920660376548767,40.4512176513672,-0.35851177573204,2.54306387901306,447.290588378906,1216.50219726562,1.28736889362335,31.2985782623291,-870.388977050781,1424.49877929688,5.4997181892395,12.2937927246094,51.6930084228516,-66.9550857543945,1982.07556152344,52.8098297119141,2007.41613769531,49.9362373352051,0.0,5.0,0.339049398899078,0.0,472.100006103516,0.659761011600494,34.9688529968262,8.13148283418554,0.0415101982653141,5.25,0.0,1684.88427734375,0.0,-0.986199975013733,11.9974088668823,0.224422037601471,0.5,155.276062011719,0.560017168521881,1.89999997615814,302.153869628906,0.660950601100922,4.0,19.0106220245361,3.05568814277649,80.6699981689453,-1.28615295886993,15.8114490509033,0.0,-0.0989379212260246,0.878584921360016,1.0,6.15186405181885,0.2,524.863342285156,5.14406204223633,0.161387354135513,0.0,44.9236068725586,0.671149611473083,3.946,2.19868588447571,-0.316678464412689,4.52188587188721,9.57289028167725,0.0776693597435951,14.4383792877197,0.0,39.0512008666992,5.11621618270874,0.0330509319901466,229.447723388672,6.55718564987183,89.4645614624023,-0.3865966796875,5.0,446.485534667969,9.29257202148438,0.0584267415106297,1.0,28.0915412902832,465.0,1.24337410926819,3.6125431060791,0.406718194484711,1.37565720081329,-3.09400010108948,0.0,1.51420867443085,3.0,95.18,2.0,8.13148307800293,0.136082768440247,302.698669433594,0.0,19.0,1.62865054607391,0.0,5.25,0.276854544878006,-217.842864990234,-589.025573730469,12.2593088150024,0.0481125228106976,0.168365985155106,1316.87451171875,76.809,151.874984741211,0.727733850479126,-45.3110694885254,6.53469562530518,0.730296730995178,0.0134987309575081,95.0466232299805,0.83555680513382,4.89344024658203,0.0817336365580559,1.0,0.116858467459679,3.0,0.320633500814438,3.17750811576843,0.214147239923477,2.01516962051392,0.972590446472168,1.30798602104187
InChI%3D1S%2FC12H11NO2%2Fc1-13-12%2814%2915-11-8-4-6-9-5-2-3-7-10%289%2911%2Fh2-8H%2C1H3%2C%28H%2C13%2C14%29,0.283342331647873,0.464180260896683,11.0552406311035,3.0,3.14734530448914,8.0,190.136995315552,0.810676217079163,0.250395506620407,,0.241744995117188,0.842664301395416,16.9089260101318,-0.325481712818146,2.96409726142883,169.08561706543,846.215026855469,1.32138526439667,17.3286457061768,-207.638687133789,968.264526367188,11.4635887145996,7.24847888946533,23.5455856323242,-25.0339088439941,1294.69812011719,23.1587371826172,1243.97448730469,18.9928302764893,0.0,2.0,0.625548720359802,0.82706218957901,519.030029296875,0.768179535865784,15.995922088623,5.36507936507936,0.0428197979927063,2.76543209876543,1.07576775550842,913.325561523438,1.01626551151276,1.73619997501373,11.8500003814697,0.189323753118515,0.5,127.551002502441,0.566929399967194,2.45000004768372,156.6337890625,0.374451279640198,0.0,8.7310676574707,0.75809121131897,41.8199996948242,-0.459829568862915,15.2612771987915,0.0,-0.0554392449557781,0.136082768440247,1.0,4.04780149459839,0.125,366.065521240234,3.36411070823669,0.26811695098877,1.0,30.0909690856934,0.27905410528183,2.7624,1.38631558418274,-0.258491635322571,8.73702907562256,9.70891571044922,0.199997544288635,11.1401453018188,,63.7247009277344,1.81439781188965,-0.0879223123192787,282.470123291016,2.83498930931091,59.2510185241699,0.00060497474623844,2.0,346.875885009766,3.97108125686646,0.0762230679392815,1.0,19.3355255126953,194.0,0.570337891578674,4.77080821990967,0.397872269153595,0.765579283237457,2.29200005531311,0.0,0.857429087162018,5.0,41.82,2.0,5.36507940292358,0.151374712586403,76.3515853881836,0.0,14.0,0.0,,2.76543211936951,0.251375645399094,113.384498596191,-93.7604370117188,8.3441276550293,0.0518340393900871,0.264996498823166,554.514526367188,60.5638,85.4902267456055,0.255252510309219,-11.3042058944702,4.62404251098633,0.5,0.0,44.3694343566895,0.699252307415009,3.08552765846252,0.0675251036882401,1.0,0.0410666055977345,0.0,0.356583535671234,2.14216327667236,0.230691328644753,1.42868208885193,3.01439046859741,0.969816863536835
InChI%3D1S%2FC6H5Cl%2Fc7-6-4-2-1-3-5-6%2Fh1-5H,0.101906009018421,0.0727392956614494,4.33075428009033,0.0,0.0,6.0,107.518997192383,1.0,0.0,,0.14755143225193,1.15243965481682e-08,14.7127532958984,-0.199085682630539,2.0351574420929,144.174957275391,338.915740966797,1.32158041000366,8.95173740386963,-55.7806816101074,351.276214599609,23.8549060821533,2.29559659957886,11.9034748077393,-13.1129503250122,386.591156005859,8.90347480773926,229.686569213867,2.95173740386963,0.0,0.0,0.488161414861679,0.920625567436218,102.01000213623,0.188867583870888,34.9688529968262,2.34375,0.0308095030486584,1.5,0.0,38.188850402832,0.0,1.77209997177124,11.8500003814697,0.0,0.25,38.7326316833496,0.444301098585129,2.00999999046326,14.9854917526245,0.511838614940643,1.0,2.44454622268677,0.288675129413605,0.0,-0.198028191924095,5.88603496551514,0.0,-0.0465525686740875,0.0,0.333333343267441,1.30671286582947,0.0,281.680511474609,0.901047587394714,0.469931423664093,,4.67190074920654,0.0253398139029741,2.34,0.0,-0.00822960771620274,6.08364343643188,8.19937992095947,-0.0041178073734045,3.04182171821594,,35.6720008850098,0.40824830532074,-0.000310150673612952,137.505554199219,0.433012694120407,9.00265502929688,-1.23409672596608e-05,0.0,53.2003173828125,0.40824830532074,2.66106003898869e-09,,8.67843627929688,45.0,0.218217894434929,5.88618183135986,0.524328827857971,0.188982233405113,1.60399997234344,0.0,0.145478591322899,0.0,0.0,0.0,2.34375,0.102062076330185,40.611270904541,0.0,6.0,0.0,,1.5,0.102062076330185,-6.66940498352051,-15.712329864502,4.5206446647644,0.0320750139653683,0.337058454751968,108.980995178223,31.452,0.0,0.188982233405113,-3.69366240501404,2.4776303768158,0.0,0.0,21.7913875579834,0.436286270618439,1.73200392723083,0.0363696478307247,,0.0,,0.352950394153595,0.985086858272552,0.187653392553329,0.560145676136017,3.14033842086792,0.31843826174736
InChI%3D1S%2FC24H40O3%2Fc1-15%284-9-22%2826%2927%2919-7-8-20-18-6-5-16-14-17%2825%2910-12-23%2816%2C2%2921%2818%2911-13-24%2819%2C20%293%2Fh15-21%2C25H%2C4-14H2%2C1-3H3%2C%28H%2C26%2C27%29,0.258957266807556,5.27171230316162,15.3570356369019,2.0,7.27739477157593,0.0,336.260991096497,0.78203946352005,4.11148309707642,0.0,0.206971615552902,1.94258284568787,29.3234062194824,-0.392544031143188,4.0574803352356,131.555603027344,2401.64306640625,1.46523809432983,30.9962768554688,-244.398147583008,2983.21728515625,7.08723735809326,9.35697269439697,49.1028366088867,-32.4400863647461,4688.267578125,54.328369140625,5092.56982421875,49.328369140625,0.0,4.0,0.78953105211258,0.705514132976532,4198.02978515625,1.46675562858582,15.9969329833984,7.35626980534178,0.0362597666680813,3.33615504566719,7.54717350006104,4363.2294921875,6.02293872833252,0.873000025749207,11.8900003433228,0.21796053647995,0.5,308.469177246094,0.559260249137878,3.76999998092651,573.060302734375,0.210468962788582,0.0,14.1666631698608,2.95213150978088,57.5299987792969,-0.390999883413315,44.686279296875,0.0,-0.0518992058932781,1.02234101295471,1.0,9.24518871307373,0.133333333333333,488.821105957031,7.76904773712158,0.264209866523743,0.0,64.0244140625,0.267301738262177,4.1724,4.49253940582275,-0.116824418306351,13.497633934021,12.5746927261353,-0.0112868472933769,25.3226547241211,0.0,102.640800476074,6.93012809753418,-0.00525162275880575,493.503784179688,11.8592329025269,153.133026123047,-0.000274349440587685,4.0,916.809387207031,17.4724674224854,0.126494646072388,0.0,22.6645069122314,603.0,6.48212814331055,3.90956783294678,0.437623023986816,11.4271841049194,8.26299953460693,0.0833333358168602,16.3264007568359,7.0,60.36,3.0,7.35626983642578,0.393634557723999,82.2300720214844,0.0833333358168602,3.0,0.409913837909698,0.0,3.33615493774414,0.976046919822693,361.948181152344,-152.763366699219,17.6223011016846,0.393634557723999,0.211255982518196,1161.20751953125,105.3153,136.23828125,2.44885730743408,-20.2769813537598,11.6528759002686,0.0,0.235702261328697,55.1045951843262,0.866847097873688,11.2231683731079,0.94347369670868,2.0,1.02234101295471,1.0,0.468354851007462,10.211859703064,0.13934063911438,8.7630443572998,0.762129008769989,7.03657674789429
InChI%3D1S%2FC19H18ClN3O4%2Fc1-25-19%2824%2923%2826-2%2917-6-4-3-5-14%2817%2913-27-18-11-12-22%2821-18%2916-9-7-15%2820%298-10-16%2Fh3-12H%2C13H2%2C1-2H3,0.368225365877151,1.08461558818817,22.572286605835,6.0,3.24218940734863,11.0,369.678991317749,0.917598187923431,0.601916432380676,0.0,0.304366320371628,2.27181506156921,38.8905944824219,-0.356752663850784,3.61605167388916,235.751754760742,1679.76818847656,1.27127027511597,34.6886711120605,-517.048828125,1934.95239257812,0.801186323165894,16.6844215393066,48.3285636901855,-29.4033241271973,2607.95239257812,50.1582832336426,2534.701171875,45.8195114135742,0.669432938098907,8.0,0.681101560592651,0.538460552692413,1899.07995605469,1.49378633499146,34.9688529968262,10.6837606837607,0.0398527197539806,5.75778546712803,2.77119731903076,2282.53393554688,2.05043816566467,1.35889995098114,11.8500003814697,0.0824018269777298,0.466666668653488,372.234741210938,0.526850938796997,2.67000007629395,816.382202148438,0.318898439407349,1.0,21.7802562713623,1.50066709518433,,-0.699405491352081,33.1565551757812,0.0,-0.0397735089063644,0.303155303001404,0.875,7.59929370880127,0.275862068965517,678.351928710938,5.8189582824707,0.160198718309402,0.0,106.450645446777,0.705131709575653,4.2389,2.50060105323792,-0.448169529438019,12.3567848205566,10.0298566818237,0.0666452944278717,16.3070964813232,0.0,109.198997497559,3.73083829879761,0.138980746269226,503.517303466797,5.7233247756958,266.08544921875,-0.152998298406601,8.0,1104.30993652344,7.30600070953369,0.100646197795868,3.0,29.4618816375732,665.0,1.32937717437744,4.53281450271606,0.286533266305923,1.67420542240143,1.91199994087219,0.117851130664349,1.77848434448242,7.0,65.82,5.0,10.6837606430054,0.318041384220123,174.283981323242,0.0645497217774391,11.0,0.0,0.0,5.75778532028198,0.441747069358826,267.765533447266,-382.238189697266,15.9787864685059,0.114182732999325,0.162616550922394,1621.35876464844,101.241,60.9171180725098,0.675431251525879,-21.736967086792,8.90849208831787,0.908560276031494,0.0,58.8652076721191,0.855323314666748,6.35760688781738,0.145061954855919,0.0,0.0734880417585373,1.0,0.457886070013046,4.47845315933228,0.167861729860306,2.99605178833008,1.84660923480988,1.93850481510162
InChI%3D1S%2FC4H8Cl3O4P%2Fc1-10-12%289%2C11-2%293%288%294%285%2C6%297%2Fh3%2C8H%2C1-2H3,0.350129157304764,0.0,8.03177928924561,4.0,0.0,0.0,249.372995376587,0.821496963500977,0.0,0.0,0.151929691433907,0.651146113872528,43.8865509033203,-0.37572768330574,3.0763521194458,209.099716186523,528.940979003906,1.4171450138092,26.7360820770264,-330.086791992188,579.542602539062,3.1582350730896,4.30428075790405,56.8170166015625,-33.9117813110352,764.9052734375,51.2801818847656,659.521057128906,41.0520553588867,0.5,4.0,0.480480462312698,0.0,229.080001831055,0.758490979671478,34.9710578918457,3.80622837370242,0.0322292670607567,2.77777777777778,0.0,464.619964599609,0.666666686534882,1.23819994926453,11.9985990524292,0.178503036499023,0.400000005960464,77.8357086181641,0.57124125957489,1.01999998092651,122.872184753418,0.519519507884979,3.0,5.22099828720093,2.31294894218445,65.5699996948242,-0.820118367671967,22.27565574646,0.0,-0.084255650639534,0.709305644035339,0.666666686534882,1.90775752067566,0.363636363636364,330.641632080078,0.61237245798111,0.383022516965866,0.0,18.0473537445068,0.704494714736938,2.1609,0.0,-0.361801147460938,0.0,10.640721321106,0.00805314723402262,0.0,1.0,47.5918006896973,4.10631465911865,-0.225631818175316,193.387023925781,5.50168991088867,34.7012710571289,0.352173954248428,4.0,305.282562255859,5.88670253753662,0.0810712203383446,2.0,12.9718523025513,86.0,2.17930173873901,3.93399167060852,0.530925095081329,2.579829454422,0.52700001001358,0.0,2.66908669471741,12.0,65.57,4.0,3.80622839927673,0.0,84.1598663330078,0.0,4.0,0.333333343267441,0.0,2.77777767181396,0.0,-15.7126998901367,-132.855545043945,8.82214546203613,0.0,0.237977474927902,635.369323730469,47.9213,71.8451080322266,2.16845107078552,-13.6490421295166,4.27369785308838,1.63299322128296,0.447214275598526,46.8836326599121,0.530198156833649,4.76484298706055,0.0,1.0,0.377528458833694,1.0,0.314978718757629,2.31156826019287,0.221727967262268,1.21872746944427,1.5331392288208,0.538121998310089
InChI%3D1S%2FC14H18N4O3%2Fc1-3-4-9-15-13%2819%2918-11-8-6-5-7-10%2811%2916-12%2818%2917-14%2820%2921-2%2Fh5-8H%2C3-4%2C9H2%2C1-2H3%2C%28H%2C15%2C19%29%28H%2C16%2C17%2C20%29,0.28095331788063,0.744679570198059,14.0981378555298,6.0,4.17979383468628,6.0,272.178994178772,0.762924253940582,0.439144015312195,0.0,0.240047827363014,1.18703460693359,24.7633590698242,-0.335649520158768,3.69942092895508,164.028900146484,1243.20520019531,1.31853401660919,24.8240356445312,-362.426940917969,1436.88830566406,3.51955103874207,9.21168231964111,34.2592124938965,-32.6580047607422,1978.05712890625,34.4853324890137,1958.98767089844,36.3665313720703,0.0,6.0,0.712081253528595,0.431734144687653,1344.06994628906,1.5733654499054,15.9969310760498,8.58501783590963,0.0490473136305809,4.48753462603878,2.31448364257812,1813.93151855469,1.78482556343079,0.604600012302399,11.8500003814697,0.237075746059418,0.454545468091965,231.116165161133,0.479849487543106,2.23000001907349,510.658325195312,0.287918776273727,0.0,15.9190082550049,1.10490465164185,,-0.63616544008255,29.0601406097412,0.94494080543518,-0.0573243647813797,0.247525274753571,0.833333313465118,5.66351318359375,0.272727272727273,434.642120361328,4.46563529968262,0.262404918670654,2.0,49.4038162231445,0.563475012779236,2.7904,2.29967975616455,-0.564393401145935,5.97891187667847,10.6611194610596,0.566846787929535,9.36579990386963,0.0,78.2163009643555,2.64256739616394,-0.520853102207184,405.676574707031,4.56873512268066,103.953590393066,0.440394252538681,6.0,896.354919433594,6.4831428527832,0.0841979682445526,1.0,27.9425220489502,360.0,0.781716525554657,4.61105537414551,0.517622590065002,1.13643515110016,3.83299994468689,0.078567422926426,1.28214597702026,7.0,92.23,7.0,8.58501815795898,0.295360922813416,93.4481658935547,0.0322748608887196,11.0,0.16666667163372,0.0,4.48753452301025,0.509192645549774,241.647674560547,-206.476608276367,12.1523876190186,0.095616765320301,0.151823908090591,1258.78186035156,81.7026,135.063354492188,0.34454944729805,-18.6054439544678,6.85977077484131,0.577350258827209,0.0,60.6005249023438,0.782184898853302,4.55622959136963,0.12275443226099,2.0,0.0646115019917488,0.0,0.321061968803406,3.08841872215271,0.127113193273544,2.01892852783203,0.365541160106659,1.29169356822968
InChI%3D1S%2FC12H13ClF3N3O4%2Fc1-2-4-17%285-3-13%2911-9%2818%2820%2921%296-8%2812%2814%2C15%2916%297-10%2811%2919%2822%2923%2Fh6-7H%2C2-5H2%2C1H3,,0.927684962749481,12.3057947158813,5.0,3.53277564048767,5.0,342.595991134644,1.0,0.411104530096054,0.0,0.222194209694862,1.70482301712036,39.3967247009277,,2.85333824157715,355.802825927734,1184.12048339844,1.38493394851685,29.7418823242188,-565.031127929688,1376.68359375,0.0,7.74763345718384,45.4100112915039,-49.103588104248,1908.01538085938,47.4729919433594,2167.85717773438,56.1204414367676,0.0,8.0,0.393496304750443,0.0,790.109985351562,0.624890089035034,,8.90909090909091,0.0177497006952763,5.5,1.78549027442932,2153.13745117188,0.777652323246002,1.56050002574921,,0.0,0.444444447755814,135.423049926758,0.45148092508316,1.57000005245209,215.057983398438,0.606503665447235,4.0,6.10861778259277,2.72697305679321,71.5199966430664,-0.963155567646027,22.7326908111572,0.0,-0.0837022736668587,0.851455628871918,0.800000011920929,5.49538612365723,0.347826086956522,586.645812988281,4.86656904220581,0.231869488954544,0.0,40.1794013977051,0.516446053981781,5.0234,2.03072142601013,-0.220529720187187,4.84461307525635,,-0.0224957801401615,8.86262512207031,0.0,43.6666984558105,4.56718683242798,0.163731664419174,230.842956542969,6.19432258605957,90.1730728149414,-0.0129569862037897,8.0,366.589141845703,9.86476612091064,0.138538226485252,0.0,10.4127864837646,309.0,1.13761103153229,,0.47922271490097,1.60648703575134,4.8289999961853,0.0,2.05003142356873,7.0,94.88,1.0,8.90909099578857,0.0555555559694767,208.730239868164,0.0,13.0,1.44224953651428,0.0,5.5,0.124002821743488,-124.959884643555,-331.47314453125,12.7255487442017,0.020833333954215,0.169446989893913,931.620300292969,82.312,0.0,0.588813781738281,-28.8064117431641,7.01411056518555,0.0,0.0134987309575081,59.5163726806641,0.818180620670319,4.92907810211182,0.0383675172924995,0.0,0.114049226045609,4.0,0.454230338335037,3.12361669540405,0.262456744909286,2.28157877922058,2.4351601600647,1.5752956867218
InChI%3D1S%2FC9H13N%2Fc1-6-4-8%283%299%2810%295-7%286%292%2Fh4-5H%2C10H2%2C1-3H3,0.0673320740461349,0.205973982810974,8.08380031585693,1.0,3.30192732810974,3.0,122.105997085571,0.949242770671844,0.0328614637255669,0.0,0.232305318117142,0.211572408676147,10.3599882125854,-0.302248537540436,2.673748254776,75.1471252441406,575.280090332031,1.51859033107758,10.1661853790283,-48.1893424987793,632.276123046875,8.63361835479736,5.19848012924194,14.3323707580566,-7.98197746276855,832.702697753906,13.498556137085,699.80517578125,6.33237028121948,0.0,0.0,0.791791439056396,4.01597547531128,439.010009765625,0.507749378681183,14.0030784606934,2.93877551020408,0.0379340387880802,1.75,2.44948983192444,288.913543701172,5.42161178588867,1.54589998722076,11.8900003433228,0.0507572144269943,0.400000005960464,103.142654418945,0.659160614013672,2.33999991416931,66.1419372558594,0.208208575844765,0.0,4.94147491455078,0.942809045314789,26.0200004577637,-0.133517205715179,13.5516910552979,0.0,-0.0221154987812042,0.333333343267441,0.666666686534882,2.10210156440735,0.0,342.602905273438,1.57683420181274,0.330753862857819,0.0,15.5649728775024,0.0189050417393446,2.194,0.111111111938953,-0.00777870789170265,0.333333343267441,8.58035278320312,-0.00169519090559334,5.65685415267944,0.0,47.3516006469727,2.15380668640137,0.000671955232974142,285.775207519531,2.17273211479187,26.5895080566406,0.0014538960531354,0.0,183.258102416992,3.37359476089478,0.0261723920702934,0.0,13.6912422180176,80.0,1.01162731647491,5.95733261108398,0.584207713603973,0.882540822029114,1.5,0.0,1.17420744895935,0.0,26.02,1.0,2.93877553939819,0.0555555559694767,27.1222763061523,0.0,7.0,0.0,0.0,1.75,0.222222223877907,210.628082275391,-17.3926105499268,6.73205089569092,0.020833333954215,0.471282511949539,231.447448730469,45.0654,18.3194122314453,0.516346037387848,-2.88087391853333,3.44337558746338,0.0,0.0,21.6732196807861,0.509430050849915,2.79305505752563,0.0745281279087067,0.0,0.131445854902267,0.0,0.27522200345993,1.88237142562866,0.19353649020195,0.982852399349213,2.38980674743652,0.630813658237457
InChI%3D1S%2FCCl2F2%2Fc2-1%283%2C4%295,0.483373016119003,0.0,2.01980471611023,0.0,0.0,0.0,120.912996292114,0.768220901489258,0.0,0.0,0.061883233487606,0.453114211559296,23.4295959472656,-0.160444676876068,0.726766169071198,272.470520019531,117.402870178223,1.60233974456787,9.06704521179199,-125.759460449219,110.674240112305,18.1401920318604,0.839924275875092,29.8908538818359,-29.1115779876709,113.677749633789,0.0,0.0,0.0,0.0,0.0,0.23177906870842,82.206771850586,4.03999996185303,0.106978215277195,34.9701538085938,1.0,0.106978215277195,0.0,0.0,0.0,0.0,3.01099991798401,11.999472618103,0.23177906870842,0.5,29.1568775177002,0.39999994635582,1.12999999523163,13.4574298858643,0.768220901489258,4.0,13.4574298858643,2.0,0.0,-0.354574292898178,3.24600005149841,0.0,-0.0820790603756905,0.0,1.0,0.0,0.0,272.470520019531,0.0,0.359820038080215,0.0,1.32031834125519,0.274052321910858,2.0143,0.0,-0.213030725717545,0.0,6.35020112991333,0.0760045647621155,0.0,0.0,17.5790004730225,0.0,0.0,82.206771850586,0.0,3.61671686172485,0.0,0.0,37.9427452087402,0.0,0.22433565557003,0.0,37.9427452087402,12.0,0.0,3.84999990463257,0.802339732646942,0.0,2.58999991416931,0.0,0.0,5.0,0.0,0.0,1.0,0.0,96.6391143798828,0.0,0.0,0.0,0.0,,0.0,-190.263748168945,-44.6040267944336,3.52371573448181,0.0,0.345452934503555,163.702209472656,16.653,82.206771850586,0.647939085960388,-10.325216293335,1.51185786724091,0.0,0.0918367356061935,67.0543212890625,0.603134989738464,1.57142853736877,0.0,0.0,0.0,0.0,0.400000005960464,0.0,1.0,0.0,9.06612110137939,0.0
InChI%3D1S%2FC17H12Cl2N2O%2Fc18-14-7-5-12%286-8-14%2917%2822%2C13-9-20-11-21-10-13%2915-3-1-2-4-16%2815%2919%2Fh1-11%2C22H,0.145695671439171,1.02913534641266,11.8656921386719,3.0,3.5395290851593,10.0,319.1059923172,0.8595409989357,0.573522448539734,0.0,0.112193405628204,1.54918766021729,38.9199523925781,-0.375481575727463,4.58627080917358,283.29736328125,1720.2841796875,1.24122893810272,28.9003086090088,-431.388916015625,2049.92797851562,3.53166508674622,5.73023414611816,43.4955825805664,-38.0903930664062,2945.77465820312,50.4159812927246,3230.16455078125,51.8389778137207,0.0,3.0,0.520678758621216,2.20997834205627,834.049987792969,0.792859673500061,34.970157623291,7.26643598615917,0.0417941547930241,3.44047080126754,0.0,2997.294921875,0.0,0.889299988746643,11.9985122680664,0.140459015965462,0.444444447755814,181.886993408203,0.399153888225555,2.77999997138977,276.967041015625,0.479321211576462,2.0,14.5998134613037,1.52712869644165,,-0.729882776737213,16.5984840393066,0.5,-0.0644465386867523,0.688258171081543,0.800000011920929,6.78583812713623,0.125,508.021942138672,5.46850252151489,0.386515229940414,0.0,42.2626075744629,0.293274015188217,4.0676,2.2491466999054,-0.160541728138924,14.0052347183228,12.9955682754517,0.104362353682518,18.0313930511475,0.0,97.0450973510742,4.19486522674561,-0.178412735462189,307.741271972656,7.2463264465332,94.8415756225586,0.157623410224915,3.0,468.610717773438,10.7125568389893,0.130560249090195,0.0,24.701961517334,333.0,1.76092565059662,6.18669652938843,0.36770486831665,2.47250819206238,0.651000022888184,0.0,3.08598327636719,2.0,46.01,3.0,7.2664361000061,0.268728733062744,167.439697265625,0.0,6.0,0.0,0.0,3.44047069549561,0.301031023263931,24.4439220428467,-254.967529296875,12.960280418396,0.0748005658388138,0.24654084444046,899.999633789062,87.0368,83.0167083740234,0.821686208248138,-22.5128955841064,7.36636352539062,0.0,0.0279508493840694,62.7923545837402,0.672070026397705,5.66793870925903,0.100394360721111,1.0,0.213764876127243,0.0,0.474370121955872,4.08555698394775,0.139135599136353,2.80778479576111,0.790854513645172,1.93493592739105
InChI%3D1S%2FC12H14ClNO2%2Fc1-12%282%298-16-14%2811%2812%2915%297-9-5-3-4-6-10%289%2913%2Fh3-6H%2C7-8H2%2C1-2H3,0.309305399656296,0.570277631282806,10.4229288101196,3.0,1.31037068367004,5.0,225.589994430542,0.918048799037933,0.344573110342026,0.0,0.260673254728317,1.42886519432068,25.6216793060303,-0.352608799934387,1.89711546897888,166.872024536133,996.79443359375,1.54867684841156,20.5017585754395,-189.444595336914,1148.994140625,2.25738501548767,7.09694814682007,31.2838649749756,-21.5523090362549,1594.14123535156,32.6190643310547,1359.8828125,19.72265625,0.0,2.0,0.632282853126526,0.116708472371101,721.039978027344,0.717810928821564,34.9688529968262,4.704,0.0287672020494938,2.65140478668054,2.32680511474609,913.11376953125,1.53261888027191,1.72500002384186,11.9885320663452,0.0819512009620667,0.5,130.211883544922,0.569812953472137,2.33999991416931,147.825485229492,0.367717176675797,1.0,5.92429780960083,1.78617906570435,,-0.417457789182663,19.2588977813721,0.0,-0.0474924072623253,0.603553414344788,1.0,4.12720775604248,0.117647058823529,416.615478515625,3.02738237380981,0.182013660669327,0.0,26.315034866333,0.305003017187119,2.5779,1.10520613193512,-0.0886966586112976,5.51854038238525,9.9193229675293,-0.0664209350943565,7.22055578231812,0.0,66.5615997314453,3.78752446174622,-0.0134287076070905,286.933349609375,4.76312971115112,55.9758186340332,0.0121469367295504,2.0,325.746459960938,5.45409536361694,0.137088656425476,1.0,13.0547103881836,214.0,1.69994032382965,5.12343740463257,0.485752314329147,1.79290997982025,1.12199997901917,0.0833333358168602,1.7035984992981,0.0,29.54,1.0,4.7039999961853,0.392258912324905,75.727424621582,0.0322748608887196,6.0,0.0,0.0,2.6514048576355,0.603056311607361,120.061317443848,-85.9709701538086,10.1212186813354,0.128325432538986,0.254872262477875,515.191040039062,59.5152,37.1898956298828,1.33302557468414,-9.78055381774902,5.56661176681519,0.333333343267441,0.176776692271233,34.6070213317871,0.647404074668884,4.99769687652588,0.176137447357178,0.0,0.190184742212296,1.0,0.493111580610275,3.02722191810608,0.20617114007473,1.79151511192322,2.97562503814697,1.13378620147705
InChI%3D1S%2FC19H20FN3O3%2Fc1-21-7-12-4-11%2821%298-22%2812%2917-6-16-13%285-15%2817%2920%2918%2824%2914%2819%2825%2926%299-23%2816%2910-2-3-10%2Fh5-6%2C9-12H%2C2-4%2C7-8H2%2C1H3%2C%28H%2C25%2C26%29,0.290363430976868,2.20120310783386,16.2329349517822,3.0,13.5745048522949,6.0,337.224991798401,0.734371244907379,1.32801043987274,0.0,0.259978085756302,1.63193392753601,30.9054145812988,-0.35058867931366,3.56307935714722,177.203704833984,1899.03576660156,1.36910653114319,33.0737266540527,-366.452941894531,2385.31518554688,3.52398204803467,11.0379219055176,49.426815032959,-37.7910346984863,3531.7734375,52.0220603942871,3513.37939453125,52.8895721435547,0.0,3.0,0.715320289134979,0.440582901239395,2054.07006835938,1.47926485538483,18.9984073638916,6.51878678134903,0.0376818627119064,2.78260869565217,1.49277532100677,3237.10498046875,1.60201346874237,-1.26279997825623,11.9961566925049,0.265628725290298,0.5,277.161682128906,0.620663285255432,2.77999997138977,573.16357421875,0.284679710865021,1.0,14.6004076004028,2.31368446350098,,-0.58871066570282,33.1095542907715,0.0,-0.0607117116451263,0.810043215751648,1.0,9.19651889801025,0.1,457.121856689453,7.54474592208862,0.219496935606003,0.0,63.1568603515625,0.658609807491302,0.948800000000001,4.29583835601807,-0.23750464618206,6.56171941757202,11.0307741165161,-0.124323338270187,23.052490234375,0.0,92.1615982055664,5.76719188690186,-0.154291987419128,445.263275146484,9.28699684143066,143.572113037109,0.286051571369171,3.0,920.793518066406,13.8408708572388,0.100532278418541,0.0,23.4557151794434,534.0,2.77030611038208,4.42621755599976,0.405891090631485,3.90453624725342,1.65400004386902,0.19245009124279,4.88445854187012,2.0,69.81,6.0,6.51878690719604,0.747084856033325,110.30345916748,0.149071201682091,10.0,0.94494080543518,0.0,2.9512140750885,1.42468857765198,268.059539794922,-228.104858398438,14.6900577545166,0.483115047216415,0.160077944397926,1287.24645996094,89.1661,165.345108032227,1.22196161746979,-23.5236721038818,9.27833366394043,0.0,0.0,61.2467498779297,0.806601583957672,8.09466457366943,0.755220532417297,1.0,0.324476182460785,2.0,0.342552125453949,6.15674209594727,0.130930811166763,4.78015518188477,1.5946638584137,3.37702131271362
InChI%3D1S%2FC17H17N2%2Fc1-18-16%2814-9-5-3-6-10-14%2913-17%2819%2818%292%2915-11-7-4-8-12-15%2Fh3-13H%2C1-2H3,0.0911364629864693,0.924260079860687,14.3170166015625,2.0,2.94168281555176,12.0,232.200994491577,0.995336294174194,0.5450399518013,0.0,0.269223928451538,1.33133089542389,19.7199764251709,-0.228770405054092,3.07403540611267,127.767425537109,1412.80847167969,1.28610038757324,22.0247287750244,-141.112319946289,1666.41394042969,0.359733730554581,9.91165065765381,30.3294811248779,-7.74256992340088,2350.83618164062,29.9971122741699,2253.35498046875,26.3294811248779,0.0,2.0,0.75624668598175,0.0,1179.02001953125,0.835234224796295,14.0040912628174,6.18549346016647,0.0400941856205463,2.88,4.42956924438477,1887.90637207031,2.74635624885559,2.61719989776611,11.8500003814697,0.0046636899933219,0.5,207.77946472168,0.478097856044769,3.10999989509583,229.481369018555,0.243753343820572,0.0,11.0159149169922,0.990399062633514,,-0.269212603569031,22.3177261352539,0.0,-0.0147711923345923,0.40432870388031,1.0,5.8915319442749,0.0952380952380952,521.722351074219,4.67290782928467,0.214712023735046,0.0,47.7570114135742,0.121351160109043,3.4368,2.04972124099731,-0.0363325290381908,14.4383573532104,11.0028762817383,-0.0586581453680992,14.3306255340576,0.0,89.7050018310547,2.97240233421326,0.0335275791585445,396.399444580078,4.86047220230103,102.638031005859,0.00127324962522835,2.0,437.802093505859,6.7983341217041,0.092989407479763,0.0,21.0160446166992,314.0,1.39080572128296,6.72762775421143,0.427497804164886,1.92098355293274,2.10599994659424,0.078567422926426,2.28311467170715,0.0,6.48,2.0,6.18549346923828,0.451980829238892,66.9714508056641,0.0333333350718021,10.0,0.0,0.0,2.88000011444092,0.532351434230804,268.632019042969,-73.9664077758789,11.3226308822632,0.164150029420853,0.207017943263054,578.914428710938,74.6884,2.44455170631409,0.534113764762878,-4.05839872360229,6.55828380584717,0.0,0.0,28.7586154937744,0.861065924167633,4.87072896957397,0.181379377841949,0.0,0.166297644376755,0.0,0.380504727363586,3.7508020401001,0.0632284507155418,2.5759642124176,6.84973573684692,1.72290027141571
InChI%3D1S%2FC10H12O5%2Fc1-2-3-15-10%2814%296-4-7%2811%299%2813%298%2812%295-6%2Fh4-5%2C11-13H%2C2-3H2%2C1H3,0.293453007936478,0.284876465797424,14.2551670074463,5.0,5.08567523956299,5.0,200.104994773865,0.622411727905273,0.115623779594898,0.0,0.376038491725922,0.388607621192932,18.8723449707031,-0.358670502901077,1.96751534938812,207.913146972656,671.811584472656,1.31982827186584,16.9925518035889,-368.003234863281,746.199829101562,7.15331315994263,11.8990440368652,23.7632961273193,-47.8038711547852,965.649047851562,26.5340423583984,932.915832519531,20.0953884124756,0.0,4.0,0.602916598320007,0.71937882900238,519.049987792969,1.06715369224548,15.998927116394,5.915,0.0474766492843628,3.5,1.3731781244278,672.465637207031,0.831968307495117,-0.797699987888336,11.8500003814697,0.377588272094727,0.444444447755814,165.294250488281,0.595689594745636,2.00999999046326,292.568420410156,0.39708337187767,0.0,13.0160903930664,1.06622350215912,86.9899978637695,-0.70283180475235,15.9924840927124,0.0,-0.0912983268499374,0.3900166451931,0.800000011920929,3.26786708831787,0.266666666666667,325.895233154297,2.48081135749817,0.138021200895309,0.0,28.8002033233643,0.463748753070831,1.3702,0.747427940368652,-0.204763993620872,1.96925938129425,8.74135208129883,0.0160555709153414,7.43653535842896,0.0,54.3664016723633,2.64976906776428,0.0289557874202728,315.687591552734,3.2784628868103,52.1532783508301,-0.219823092222214,4.0,558.762451171875,4.57675981521606,0.0272608250379562,1.0,24.8588085174561,202.0,0.530334234237671,4.66600036621094,0.419512659311295,0.55855268239975,2.06599998474121,0.0,0.594223082065582,6.0,86.99,2.0,5.91499996185303,0.0555555559694767,108.863471984863,0.0,12.0,1.43247032165527,0.0,3.5,0.198741674423218,107.774436950684,-192.686767578125,8.22705173492432,0.020833333954215,0.202075392007828,926.765686035156,52.0099,197.705490112305,0.310001134872437,-25.0301418304443,4.47955131530762,0.961124539375305,0.0,72.6626815795898,0.807293593883514,2.99902367591858,0.0383675172924995,3.0,0.0427564010024071,1.0,0.304625988006592,1.74266445636749,0.165758773684502,1.00013327598572,0.636325299739838,0.605089843273163
InChI%3D1S%2FC8H10NO5PS%2Fc1-12-15%2816%2C13-2%2914-8-5-3-7%284-6-8%299%2810%2911%2Fh3-6H%2C1-2H3,,0.536446928977966,12.1782064437866,6.0,0.333333343267441,6.0,253.130997657776,0.936536252498627,0.349500179290771,1.0,0.297468960285187,0.597023785114288,32.0105018615723,,2.69159626960754,167.743270874023,693.707824707031,1.23702800273895,31.4600963592529,-211.83479309082,775.851684570312,3.99025559425354,8.88958644866943,39.1643333435059,-22.285701751709,1011.31475830078,34.4845085144043,941.282531738281,26.6522636413574,1.5,5.0,0.669306457042694,0.518982648849487,436.079986572266,0.845234453678131,,6.07438016528926,0.0354823060333729,4.0768,1.46059346199036,714.598388671875,0.755928933620453,0.958400011062622,,0.0634637251496315,0.444444447755814,172.212142944336,0.529085576534271,1.46000003814697,217.478302001953,0.330693542957306,0.0,9.12957668304443,1.63090085983276,103.730003356934,-0.417616724967957,24.2760696411133,0.0,-0.0439346246421337,0.16666667163372,0.800000011920929,3.29462146759033,0.3125,475.055084228516,2.34263110160828,0.221017450094223,0.0,30.8414192199707,0.471293717622757,3.6647,0.919575989246368,-0.375673890113831,3.30192732810974,,0.346277505159378,5.65685415267944,1.0,33.2788009643555,3.17546796798706,-0.249108284711838,339.503601074219,3.61139726638794,57.3047180175781,0.012201658450067,5.0,428.742523193359,3.32441973686218,0.0490239486098289,3.0,17.9982891082764,220.0,1.95733618736267,,0.517291605472565,1.89544641971588,3.48000001907349,0.0,1.34018862247467,7.0,115.41,2.0,6.07438039779663,0.0833333358168602,85.0872497558594,0.0,14.0,0.5,0.0,4.07679986953735,0.107038088142872,171.760330200195,-107.452529907227,10.3642416000366,0.0277777779847383,0.246677607297897,640.577331542969,64.421,32.1917762756348,1.09271574020386,-11.3043527603149,6.71707820892334,0.825481832027435,0.111803397536278,40.283992767334,0.906171441078186,5.80359888076782,0.0237628296017647,0.0,0.0124225998297334,2.0,0.190650805830956,4.15885210037231,0.235523015260696,1.84313929080963,0.918530583381653,1.06243455410004
InChI%3D1S%2FC16H13ClF3NO4%2Fc1-9%2815%2822%2923-2%2924-11-3-5-12%286-4-11%2925-14-13%2817%297-10%288-21-14%2916%2818%2C19%2920%2Fh3-9H%2C1-2H3,0.438257038593292,0.569334506988525,23.8065338134766,5.0,5.04042720794678,8.0,362.62598991394,0.848382651805878,0.319513887166977,0.0,0.390420824289322,1.10227537155151,40.6767501831055,-0.33238160610199,2.37599158287048,337.885650634766,1248.28393554688,1.26726317405701,32.3541069030762,-749.646118164062,1423.228515625,0.997903943061829,20.3282661437988,51.8040962219238,-53.9361114501953,1912.31396484375,52.85302734375,1889.39428710938,43.4594535827637,0.608220219612122,7.0,0.551304996013641,6.59692144393921,921.090026855469,1.22314655780792,34.9688529968262,9.27392257121987,0.0483569167554379,6.2823147647377,1.75902152061462,1575.09545898438,2.70717000961304,2.28889989852905,11.9973964691162,0.151617348194122,0.466666668653488,312.628845214844,0.587796866893768,2.23000001907349,693.610412597656,0.448694974184036,4.0,27.4217834472656,2.7923846244812,,-0.995491921901703,26.2666912078857,0.0,-0.0716244131326675,0.717530488967896,0.875,5.88709020614624,0.269230769230769,638.866821289062,4.77489423751831,0.0998041853308678,0.0,73.3261337280273,0.934381783008575,4.4864,2.14702105522156,-0.534161746501923,4.55375957489014,9.36696434020996,0.020424934104085,12.6744508743286,0.0,90.2190017700195,4.80073833465576,0.105499461293221,415.155212402344,5.57482481002808,150.372329711914,-0.0931133553385735,7.0,921.079345703125,7.23939561843872,0.0463013797998428,3.0,36.4147338867188,592.0,1.1477210521698,3.5683126449585,0.398696392774582,1.19445610046387,2.96799993515015,0.0,1.2579607963562,7.0,57.65,3.0,9.27392292022705,0.151374712586403,254.441711425781,0.0,14.0,0.0,0.0,6.28231477737427,0.268025726079941,77.2695541381836,-564.51416015625,13.8894453048706,0.0464116781949997,0.149744272232056,1670.72546386719,82.871,114.174057006836,0.728827059268951,-40.616096496582,7.33368825912476,0.825481832027435,0.0134987309575081,90.350845336914,0.903247237205505,5.27263355255127,0.0607335232198238,0.0,0.0852368548512459,1.0,0.280769854784012,3.28975582122803,0.188470810651779,1.97649586200714,5.23906326293945,1.22076666355133
InChI%3D1S%2FC10H6Cl4O4%2Fc1-17-9%2815%293-5%2811%297%2813%294%2810%2816%2918-2%298%2814%296%283%2912%2Fh1-2H3,0.298185050487518,0.593032777309418,12.4579648971558,4.0,14.2036352157593,4.0,325.917991638184,0.78470492362976,0.230856388807297,0.0,0.352269738912582,0.849534332752228,51.9488906860352,-0.316024452447891,1.60435700416565,338.971893310547,1331.99060058594,1.19008886814117,27.7995014190674,-562.352600097656,1573.21215820312,3.07163977622986,10.0040740966797,44.4912033081055,-60.5313339233398,2261.37133789062,75.1672744750977,2515.92846679688,89.1520309448242,0.142857149243355,4.0,0.428935587406158,0.501171708106995,270.079986572266,0.711601853370667,34.9720077514648,6.43786982248521,0.0317510515451431,2.96296296296296,0.0,2003.64831542969,3.79042077064514,2.50939989089966,11.9985313415527,0.2152950912714,0.444444447755814,151.129516601562,0.550096690654755,1.67999994754791,250.723052978516,0.571064412593842,4.0,11.1870431900024,1.46342706680298,52.5999984741211,-0.94739282131195,13.9872417449951,0.0,-0.101976864039898,0.635957181453705,0.800000011920929,4.97691059112549,0.222222222222222,465.784423828125,3.45744776725769,0.128781631588936,0.0,25.9118671417236,0.691639840602875,3.8734,0.983907520771027,-0.367120206356049,0.0,11.3947525024414,0.249956741929054,0.0,0.0,71.3572006225586,4.19927072525024,-0.36782830953598,254.607208251953,7.08951711654663,52.0049476623535,-0.00243185204453766,4.0,422.391998291016,10.8117322921753,0.0681920647621155,2.0,18.8467597961426,228.0,2.17047929763794,4.97729873657227,0.290195912122726,3.04640102386475,2.83200001716614,0.0,4.23468828201294,4.0,52.6,4.0,6.43787002563477,0.0370370373129845,201.206634521484,0.0,12.0,0.142857149243355,0.0,2.96296286582947,0.190914839506149,-84.3647003173828,-333.800750732422,12.1685667037964,0.015625,0.189888775348663,984.744567871094,69.161,127.794662475586,0.775280058383942,-35.9301338195801,5.90078020095825,1.06904494762421,0.0,79.3780975341797,0.887545466423035,4.50094985961914,0.0864933356642723,0.0,0.323284298181534,2.0,0.349796324968338,3.74773645401001,0.179058328270912,2.35550689697266,6.29708814620972,1.4594361782074
InChI%3D1S%2FC8H11NO2%2Fc9-5-8%2811%296-1-3-7%2810%294-2-6%2Fh1-4%2C8%2C10-11H%2C5%2C9H2,0.107996515929699,0.210006877779961,8.32493495941162,2.0,1.31037068367004,5.0,142.09299659729,0.678394496440887,0.0772735103964806,0.0,0.314275920391083,0.733269810676575,12.9089260101318,-0.38659006357193,1.32825148105621,117.192115783691,525.560852050781,1.16623306274414,11.8303689956665,-148.039611816406,572.273376464844,6.35245656967163,6.26341390609741,15.494553565979,-28.3170528411865,705.799255371094,15.0480194091797,605.302551269531,9.32864665985107,0.0,2.0,0.67937171459198,3.72242140769958,374.029998779297,0.858197093009949,15.9959192276001,4.13265306122449,0.0683491080999374,2.5,0.0,343.897613525391,0.0,-0.604300022125244,11.8500003814697,0.321605503559113,0.428571432828903,90.7612915039062,0.504817426204681,2.00999999046326,114.651626586914,0.320628255605698,0.0,9.1311616897583,0.6910440325737,66.4800033569336,-0.40502455830574,11.3652772903442,0.0,-0.0774731934070587,0.117851130664349,0.75,2.18823194503784,0.181818181818182,247.958450317383,1.62847018241882,0.159550964832306,0.0,13.8861274719238,0.177816107869148,-0.3325,0.396574229001999,-0.0483549349009991,4.25141477584839,8.69619464874268,-0.0663744285702705,8.42163562774658,0.0,46.2379989624023,1.49750399589539,0.0383387245237827,248.315643310547,1.6887115240097,28.3114185333252,0.0194758679717779,2.0,313.677673339844,1.85322630405426,0.088081143796444,0.0,24.9821281433105,113.0,0.466365814208984,4.74380397796631,0.391623675823212,0.444766581058502,-0.794000029563904,0.0,0.391290724277496,4.0,68.1,2.0,4.13265323638916,0.0833333358168602,42.8346252441406,0.0,7.0,0.16666667163372,0.0,2.5,0.131445854902267,131.123519897461,-54.1096267700195,6.06563568115234,0.0277777779847383,0.305978894233704,461.71728515625,42.9557,117.549308776855,0.262047737836838,-10.3501024246216,3.40834450721741,0.0,0.0,53.2991828918457,0.902299582958221,2.3430323600769,0.0284601077437401,2.0,0.0304290316998959,0.0,0.269791930913925,1.50112199783325,0.172405213117599,0.832553684711456,0.365178495645523,0.497930467128754
InChI%3D1S%2FC15H14O2%2Fc1-2-6-12%287-3-1%2914-8-4-5-9-15%2814%2917-11-13-10-16-13%2Fh1-9%2C13H%2C10-11H2,0.105675525963306,0.582435548305511,11.9093999862671,2.0,2.70160007476807,10.0,212.162994384766,0.910150647163391,0.350567132234573,0.0,0.141830086708069,1.16177093982697,18.5489387512207,-0.391415148973465,4.52568101882935,160.57633972168,991.711364746094,1.43432605266571,20.3283672332764,-196.579528808594,1143.8251953125,11.370062828064,6.22194814682007,23.3283672332764,-23.0298309326172,1430.64184570312,24.1028366088867,1411.93298339844,21.3283672332764,0.333333343267441,4.0,0.678954303264618,0.0162191540002823,817.02001953125,0.831184148788452,15.9977884292603,5.76,0.0423591323196888,2.87970615243343,0.0,1191.47009277344,0.0,1.63339996337891,11.9966831207275,0.0898493602871895,0.444444447755814,169.851699829102,0.587122738361359,2.89000010490417,207.934539794922,0.321045696735382,0.0,10.5968418121338,0.673540234565735,,-0.393028080463409,19.1368980407715,0.0,-0.0460443198680878,0.136082768440247,0.800000011920929,4.51613330841064,0.210526315789474,455.226959228516,3.6579647064209,0.380009144544601,0.0,40.6448364257812,0.332214176654816,3.1312,1.59567737579346,-0.145065814256668,15.2205934524536,10.1901960372925,-0.0858616009354591,15.0520544052124,0.0,74.8595962524414,1.52501964569092,0.0801350101828575,339.590270996094,2.49691033363342,85.2680206298828,-0.00727491872385144,4.0,415.730560302734,3.47511506080627,0.0975507497787476,2.0,21.1866245269775,264.0,0.569417059421539,4.78121376037598,0.427259087562561,0.771231472492218,2.52900004386902,0.0,0.882834792137146,2.0,21.76,1.0,5.76000022888184,0.268728733062744,80.3149185180664,0.0,13.0,0.0,0.0,3.26326751708984,0.273001730442047,179.013916015625,-98.322509765625,9.50421237945557,0.0839090570807457,0.302229881286621,612.31005859375,67.113,44.9396476745605,0.332278817892075,-11.5187520980835,5.82170724868774,0.0,0.0,44.2164535522461,0.593897759914398,4.12853097915649,0.067183643579483,0.0,0.0410666055977345,0.0,0.419944286346436,2.63228487968445,0.0859557464718819,1.72765398025513,2.66799545288086,1.16826987266541
InChI%3D1S%2FC7H8N2O2%2Fc1-5-2-3-6%289%2810%2911%294-7%285%298%2Fh2-4H%2C8H2%2C1H3,0.255158215761185,0.19537553191185,7.16717004776001,3.0,1.65096366405487,5.0,144.088996887207,0.949845731258392,0.0402412042021751,0.0,0.250892519950867,0.0910211503505707,13.2689142227173,-0.322605133056641,2.28950643539429,160.581619262695,491.833587646484,1.13273441791534,12.439302444458,-116.661514282227,544.82275390625,7.69291973114014,4.78664255142212,17.1033935546875,-19.0913543701172,703.052307128906,16.159294128418,592.896484375,10.0207262039185,0.0,1.0,0.564565360546112,1.15751731395721,251.039993286133,0.410153090953827,15.9959201812744,3.6,0.0353012941777706,2.21453287197232,1.14471423625946,282.961791992188,1.5,-0.154499992728233,11.8500003814697,0.0501542687416077,0.5,76.7821044921875,0.512890458106995,1.78999996185303,55.7817039489746,0.435434639453888,0.0,4.8010516166687,0.971404492855072,60.1599998474121,-0.316340446472168,9.34165573120117,0.0,-0.0517682917416096,0.333333343267441,1.0,2.19468545913696,0.0909090909090909,350.28857421875,1.74405467510223,0.319443583488464,0.0,11.6031284332275,0.0742227435112,2.0086,0.336287319660187,-0.00237060966901481,1.65096366405487,8.2379035949707,-0.00794222764670849,5.85380077362061,0.0,12.6099996566772,2.12630128860474,-0.027372021228075,208.203063964844,2.02068448066711,19.7678031921387,-0.0208770800381899,1.0,151.258178710938,2.72215032577515,0.0126997334882617,0.0,13.0185766220093,99.0,0.607304692268372,3.59801554679871,0.49460580945015,0.487679213285446,1.76499998569489,0.0,0.521502315998077,2.0,71.84,1.0,3.59999990463257,0.0680413842201233,59.220043182373,0.0,10.0,0.5,0.0,2.21453285217285,0.175366476178169,47.6214408874512,-43.0229797363281,6.07311105728149,0.0240562614053488,0.415920585393906,267.919708251953,44.4134,18.4961261749268,0.33947429060936,-7.04059886932373,3.11546421051025,0.0,0.0,32.1099319458008,0.546959459781647,2.29800081253052,0.0487034358084202,0.0,0.0605351217091084,2.0,0.125238165259361,1.47363948822021,0.176108047366142,0.74143785238266,0.023870250210166,0.479971617460251
InChI%3D1S%2FC12H15ClNO4PS2%2Fc1-3-16-19%2820%2C17-4-2%2921-8-14-10-6-5-9%2813%297-11%2810%2918-12%2814%2915%2Fh5-7H%2C3-4%2C8H2%2C1-2H3,0.350211441516876,2.51648759841919,19.9273719787598,5.0,2.80396580696106,6.0,352.695997238159,0.844368517398834,1.58754360675812,1.0,0.336458146572113,1.39376890659332,50.0765380859375,-0.322591662406921,2.95150971412659,239.497161865234,1462.62158203125,1.60329926013947,44.4209365844727,-401.368408203125,1690.9580078125,1.75970757007599,15.5820932388306,62.4234161376953,-36.274227142334,2323.966796875,55.4103469848633,2239.22631835938,56.2199554443359,0.721124768257141,7.0,0.620621860027313,1.34040892124176,949.090026855469,1.04008746147156,34.9688529968262,7.51300728407908,0.0319468416273594,4.2603550295858,2.38558793067932,1893.27038574219,1.01104032993317,2.86400008201599,11.8500003814697,0.155631497502327,0.454545468091965,247.333618164062,0.628638327121735,1.78999996185303,414.501373291016,0.379378169775009,1.0,12.7316312789917,1.88998627662659,,-0.635792076587677,31.8441047668457,0.0,-0.0574605911970139,0.219821989536285,0.833333313465118,6.02696800231934,0.318181818181818,533.040344238281,4.14009380340576,0.14811335504055,0.0,71.8222579956055,0.636767864227295,4.8867,1.9922411441803,-0.528520226478577,3.45315456390381,11.9983425140381,0.441799938678741,7.79088926315308,1.0,92.7779998779297,3.61860227584839,-0.365675359964371,391.791595458984,5.91107654571533,155.850036621094,0.293337136507034,7.0,656.595520019531,6.66923236846924,0.0699424371123314,3.0,20.1676826477051,366.0,4.10390710830688,4.913902759552,0.564133405685425,5.87103366851807,3.35899996757507,0.078567422926426,5.09421539306641,10.0,120.8,4.0,7.51300716400146,0.313275456428528,151.191864013672,0.0228217728435993,10.0,0.0,1.0,4.26035499572754,0.550597846508026,152.294418334961,-253.379364013672,14.8586015701294,0.0758629590272903,0.191894248127937,1057.9638671875,90.838,98.2484130859375,2.61967253684998,-22.8995113372803,10.9201641082764,0.721124768257141,0.335410207509995,56.4419097900391,0.803568422794342,10.6649732589722,0.125403538346291,0.0,0.0512124449014664,1.0,0.410527527332306,8.13221454620361,0.20893207192421,6.14553833007812,8.20249557495117,3.69557547569275
InChI%3D1S%2FC8H8O3%2Fc1-11-8%2810%296-2-4-7%289%295-3-6%2Fh2-5%2C9H%2C1H3,0.292985409498215,0.156356409192085,9.0888900756836,3.0,1.31037068367004,5.0,144.08499622345,0.69131988286972,0.0575368292629719,0.0,0.361566573381424,0.131330370903015,13.3234071731567,-0.360448181629181,1.54627788066864,129.827178955078,464.519683837891,1.24722731113434,12.3283681869507,-141.600921630859,506.556884765625,11.4335708618164,7.41128158569336,16.1028366088867,-26.9386653900146,627.177734375,15.3246440887451,531.515747070312,9.66045951843262,0.0,2.0,0.631262958049774,1.82451915740967,251.029998779297,0.688510775566101,15.9969205856323,4.13265306122449,0.0509365685284138,2.5,0.894427180290222,294.945861816406,0.908560276031494,0.655900001525879,11.8500003814697,0.30868011713028,0.428571432828903,78.2542495727539,0.547529220581055,2.00999999046326,85.350959777832,0.368737071752548,0.0,6.31433057785034,0.6910440325737,46.5299987792969,-0.402177006006241,11.6196556091309,0.0,-0.0765115991234779,0.117851130664349,0.75,2.18823194503784,0.181818181818182,243.404083251953,1.62847018241882,0.170128360390663,0.0,12.6363010406494,0.335326611995697,1.1788,0.396574229001999,-0.215966641902924,3.30192732810974,8.27031898498535,0.0962759256362915,7.06555128097534,0.0,43.3296012878418,1.49750399589539,-0.022533169016242,222.258880615234,1.6887115240097,23.230224609375,-0.00159477663692087,2.0,242.4150390625,1.85322630405426,0.0144495498389006,1.0,17.9340553283691,113.0,0.340111911296844,4.37141132354736,0.433418482542038,0.332247048616409,0.58899998664856,0.0,0.298439592123032,4.0,46.53,2.0,4.13265323638916,0.0833333358168602,45.7103385925293,0.0,10.0,0.16666667163372,0.0,2.5,0.131445854902267,92.4317016601562,-49.8557090759277,6.07311105728149,0.0277777779847383,0.330432623624802,384.015960693359,39.4463,108.681968688965,0.199535593390465,-9.48472881317139,3.1114706993103,0.577350258827209,0.0,44.8727226257324,0.910967469215393,2.03845572471619,0.0263114888221025,1.0,0.0138888889923692,1.0,0.266279578208923,1.28840231895447,0.268591731786728,0.715364038944244,0.430204808712006,0.431162893772125
InChI%3D1S%2FC15H24NO4PS%2Fc1-6-18-21%2822%2C16-11%282%293%2920-14-10-8-7-9-13%2814%2915%2817%2919-12%284%295%2Fh7-12H%2C6H2%2C1-5H3%2C%28H%2C16%2C22%29,0.295900702476501,1.23023462295532,16.0273857116699,6.0,3.41702961921692,5.0,321.208995819092,0.951379895210266,0.597000598907471,1.0,0.139744639396667,2.3467710018158,37.2360305786133,-0.317920565605164,5.35183143615723,117.586227416992,1243.42431640625,1.49911999702454,36.5895004272461,-214.628051757812,1390.78112792969,0.0297440364956856,8.32878398895264,47.2756652832031,-12.13352394104,1835.68225097656,47.2210273742676,1875.07995605469,54.7822265625,0.825481832027435,9.0,0.808846831321716,0.0305801928043365,1654.06994628906,1.47637367248535,31.9720726013184,9.33333333333333,0.0304223448038101,6.97887970615243,4.10280513763428,1948.64868164062,5.73078727722168,1.38370001316071,11.8900003433228,0.0486201122403145,0.5,306.066711425781,0.579048931598663,2.33999991416931,558.658081054688,0.191153198480606,0.0,11.5117807388306,2.28172492980957,98.6900024414062,-0.348908513784409,39.9429664611816,0.0,-0.0197247732430696,0.164266422390938,1.0,5.66686630249023,0.409090909090909,585.233093261719,3.40310454368591,0.333917915821075,0.0,76.6795196533203,0.571277439594269,4.5402,1.39842414855957,-0.418965280056,3.81983685493469,10.7660388946533,0.287029683589935,7.22433853149414,1.0,95.885597229004,3.07492995262146,-0.253193527460098,497.555114746094,5.92168998718262,197.312454223633,0.173102453351021,9.0,908.178466796875,6.69739866256714,0.146422564983368,3.0,18.7140426635742,336.0,2.24464058876038,4.95711231231689,0.495097041130066,4.13768196105957,4.35500001907349,0.0,3.68111062049866,10.0,98.69,4.0,9.33333301544189,0.0833333358168602,72.3321533203125,0.0,14.0,0.0,0.0,6.97887992858887,0.107038088142872,379.968872070312,-132.026580810547,15.370587348938,0.0277777779847383,0.174070820212364,1122.80651855469,92.0302,29.908239364624,1.75362348556519,-7.46383190155029,9.9287166595459,0.825481832027435,0.136930644512177,30.8475666046143,0.650916397571564,8.37661075592041,0.0252291187644005,0.0,0.0290384758263826,1.0,0.424974024295807,5.10747289657593,0.162064149975777,4.45813608169556,1.91462564468384,1.91632831096649
InChI%3D1S%2FC11H18N4O2%2Fc1-7-8%282%2912-10%2814%283%294%2913-9%287%2917-11%2816%2915%285%296%2Fh1-6H3,0.346005856990814,0.418345719575882,14.8821601867676,6.0,4.61053943634033,1.0,220.146995544434,0.880579710006714,0.165921494364738,0.0,0.219785064458847,0.784867942333221,19.9888896942139,-0.291318774223328,4.77540349960327,103.098930358887,904.244812011719,1.37154626846313,19.6581287384033,-149.955017089844,1007.97808837891,0.937511682510376,9.32188892364502,28.3454780578613,-14.0042858123779,1356.84362792969,29.6509590148926,1355.66052246094,23.3493118286133,0.0,4.0,0.800138294696808,0.314169824123383,953.059997558594,1.16378271579742,15.9959239959717,6.25,0.0332668125629425,4.0,0.0,1087.04895019531,8.7578649520874,0.662400007247925,11.9934053421021,0.119420275092125,0.5,212.918869018555,0.551272213459015,2.00999999046326,309.685577392578,0.199861720204353,0.0,8.85238456726074,1.66385459899902,,-0.290694266557693,29.151725769043,0.5,-0.0271479114890099,0.63467675447464,1.0,3.46146535873413,0.235294117647059,454.248229980469,2.94857883453369,0.320881068706512,0.0,55.5802955627441,0.538541257381439,1.2198,1.06658256053925,-0.533352255821228,0.0,9.12314510345459,0.569532632827759,0.0,0.0,65.9386978149414,3.73761868476868,-0.482667744159698,412.752380371094,3.65201091766357,105.401466369629,0.33500662446022,4.0,600.3388671875,5.61052131652832,0.0527388453483582,1.0,17.1607284545898,209.0,1.23545789718628,4.56618022918701,0.481672525405884,0.925720572471619,0.416999995708466,0.0,1.13728260993958,6.0,58.56,5.0,6.25,0.0555555559694767,53.1837196350098,0.0,11.0,0.0,0.0,4.0,0.182469829916954,309.653472900391,-77.3544921875,11.1053504943848,0.0125000001862645,0.171136468648911,750.293884277344,65.544,61.6031074523926,0.811649680137634,-7.22412919998169,5.2428674697876,0.5,0.0,31.1650142669678,0.815820693969727,4.19599342346191,0.0356932729482651,0.0,0.160712629556656,1.0,0.338601529598236,2.28188681602478,0.237855464220047,1.06164133548737,0.43877375125885,0.74420577287674
InChI%3D1S%2FC24H46O6%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22%2827%2929-19-21%2826%2924-23%2828%2920%2825%2918-30-24%2Fh20-21%2C23-26%2C28H%2C2-19H2%2C1H3,0.26165434718132,1.52827513217926,24.338716506958,6.0,4.32963848114014,0.0,384.257989883423,0.789296090602875,0.962372779846191,0.0,0.284995824098587,0.940687894821167,34.6468124389648,-0.410305976867676,6.03654623031616,152.146270751953,1491.71130371094,1.48929464817047,32.6567344665527,-451.295257568359,1560.8828125,5.20346593856812,17.3614826202393,39.7595710754395,-42.9961318969727,1762.59350585938,40.8611717224121,1634.27465820312,34.5377655029297,0.25,20.0,0.803054630756378,0.346612691879272,4906.06005859375,2.38201522827148,16.0008087158203,18.56,0.0357192121446133,13.9171597633136,2.33638644218445,1468.12524414062,0.244005858898163,-6.03840017318726,11.996132850647,0.210703894495964,0.5,479.265380859375,0.479480236768723,3.44000005722046,1421.59387207031,0.196945384144783,0.0,21.3173332214355,1.08861255645752,,-0.58417809009552,55.077522277832,0.0,-0.0556562431156635,0.310875236988068,1.0,5.97578382492065,0.666666666666667,609.755126953125,3.97343325614929,0.248022362589836,0.0,126.813636779785,0.743053436279297,4.27260000000001,1.58533012866974,-0.245461076498032,28.676248550415,8.3305311203003,-0.271552234888077,9.97117710113525,0.0,92.7425003051758,2.53502583503723,0.193350970745087,620.383972167969,3.32755064964294,249.739624023438,-0.0558077432215214,20.0,1840.17883300781,3.77308320999146,0.0386498533189297,2.0,27.5941715240479,1119.0,0.792209148406982,4.39956474304199,0.499822974205017,0.89466255903244,7.50799989700317,0.096225045621395,0.784355700016022,23.0,96.22,6.0,18.5599994659424,0.248005643486977,117.53759765625,0.0555555559694767,3.0,1.18558597564697,0.0,13.9171600341797,0.302175432443619,468.237701416016,-348.639221191406,19.1037082672119,0.0817654132843018,0.13060274720192,2291.47412109375,118.2654,162.775131225586,0.434377789497375,-33.2158126831055,12.3730545043945,2.21305155754089,0.0,70.5903015136719,0.935328483581543,8.80599689483643,0.0768247172236443,3.0,0.0723477751016617,1.0,0.509991407394409,5.9690318107605,0.0881723538041115,3.95050001144409,36.4622764587402,2.46282744407654
InChI%3D1S%2FC5H7N3O2%2Fc1-4-6-3-5%287%284%292%298%289%2910%2Fh3H%2C1-2H3,0.23879100382328,0.0864295363426208,6.1987509727478,3.0,0.5,0.0,134.073997497559,0.935544013977051,0.0105409258976579,0.0,0.199986681342125,0.207541689276695,12.6289024353027,-0.293507546186447,2.27206873893738,110.616600036621,393.573913574219,1.16471445560455,12.1040439605713,-92.2054901123047,440.985931396484,2.16210627555847,3.71914076805115,16.9895553588867,-15.1885480880737,589.127807617188,14.62965965271,414.143920898438,9.60148525238037,0.0,1.0,0.661341667175293,1.59854209423065,234.050003051758,0.551267504692078,15.9959201812744,2.93877551020408,0.0381659530103207,1.55017301038062,0.666666686534882,175.712432861328,2.14913988113403,0.0841000005602837,11.993597984314,0.0644560009241104,0.400000005960464,70.5574645996094,0.470872312784195,1.46000003814697,58.8138313293457,0.338658332824707,0.0,4.07186317443848,0.897568464279175,63.6399993896484,-0.282291799783707,12.641655921936,0.0,-0.0465005114674568,0.350732952356339,0.666666686534882,2.34356737136841,0.1,305.578460693359,1.16404354572296,0.366536527872086,0.0,9.6935691833496,0.240893259644508,1.1599,0.111111111938953,-0.136895745992661,0.0,8.0243616104126,-0.0305178519338369,1.41421353816986,0.0,55.7243003845215,2.12537145614624,0.0779091194272041,216.015258789062,2.80400538444519,17.6460781097412,-0.0146015724167228,1.0,180.0615234375,2.82290863990784,0.0334812104701996,0.0,12.4662160873413,75.0,0.681834280490875,3.56071877479553,0.488535165786743,0.65086829662323,0.834999978542328,0.096225045621395,0.472391486167908,2.0,63.64,2.0,2.93877553939819,0.248005643486977,36.1309051513672,0.0288675129413605,8.0,0.5,0.0,1.55017304420471,0.318447262048721,105.398658752441,-30.1172504425049,5.73548746109009,0.0706449747085571,0.382344335317612,272.267028808594,36.767,21.0533828735352,0.306806236505508,-4.96106338500977,2.7536633014679,0.0,0.0,27.654764175415,0.815289437770844,1.97973811626434,0.0652283281087875,0.0,0.0884900167584419,2.0,0.205306932330132,1.38297247886658,0.249167785048485,0.65975022315979,0.0070728100836277,0.252809941768646
InChI%3D1S%2FC9H13BrN2O2%2Fc1-4-5%282%2912-8%2813%297%2810%296%283%2911-9%2812%2914%2Fh5H%2C4H2%2C1-3H3%2C%28H%2C11%2C14%29,0.303265899419785,0.671682357788086,8.7666711807251,3.0,4.94145393371582,0.0,248.014995574951,0.832736730575562,0.289488881826401,0.0,0.235963150858879,1.46817100048065,59.5270042419434,-0.364678919315338,1.61812794208527,129.4970703125,965.32421875,1.47876119613647,21.1477851867676,-187.401733398438,1099.42736816406,4.67817163467407,5.68037223815918,34.4887542724609,-24.1324138641357,1504.51257324219,52.6884498596191,1525.52685546875,34.456485748291,0.0,2.0,0.688816845417023,0.533742189407349,779.049987792969,0.996821522712708,78.9183349609375,4.68,0.0340575613081455,2.34319526627219,1.31037068367004,1074.53637695312,4.97323322296143,-0.300300002098083,11.9886016845703,0.1672632843256,0.428571432828903,119.286560058594,0.556572794914246,1.89999997615814,172.625579833984,0.311183154582977,1.0,5.89795303344727,1.20311808586121,52.5699996948242,-0.450328797101974,23.4725189208984,0.0,-0.0579905062913895,0.468478739261627,0.75,3.69638276100159,0.142857142857143,346.53857421875,2.23277378082275,0.184577241539955,0.0,19.9070148468018,0.38096958398819,1.9908,0.475017875432968,-0.254723221063614,0.0,11.0551624298096,0.146929457783699,1.76976454257965,0.0,56.019401550293,3.13647961616516,-0.106204174458981,286.647155761719,4.97374963760376,42.1684799194336,0.000318187871016562,2.0,414.821533203125,6.69922828674316,0.167471885681152,0.0,14.1728572845459,142.0,2.21879625320435,5.59820222854614,0.44183474779129,2.41852307319641,1.00399994850159,0.0,3.20628142356873,4.0,55.12,4.0,4.67999982833862,0.0453609228134155,53.8894577026367,0.0,3.0,0.25,0.0,2.34319519996643,0.207632824778557,157.150085449219,-77.9861450195312,10.2831439971924,0.0215165745466948,0.251945078372955,602.223266601562,57.6008,69.6056518554688,0.86154294013977,-10.0425653457642,5.80563545227051,0.0,0.0,38.3052711486816,0.786262989044189,4.720055103302,0.0946034938097,1.0,0.310364365577698,1.0,0.480353593826294,3.85517859458923,0.157146871089935,1.92071497440338,0.0901800915598869,1.31177186965942
InChI%3D1S%2FC22H19Br4NO3%2Fc1-21%282%2917%2819%2823%2922%2824%2C25%2926%2918%2821%2920%2828%2930-16%2812-27%2913-7-6-10-15%2811-13%2929-14-8-4-3-5-9-14%2Fh3-11%2C16-19H%2C1-2H3,0.270697295665741,1.77733945846558,23.9338893890381,4.0,8.14021778106689,11.0,645.861989021301,0.850875616073608,0.699114620685577,0.0,0.355546712875366,1.64174735546112,205.715759277344,-0.310035556554794,2.96802401542664,408.257965087891,2653.10034179688,1.29238557815552,56.4373474121094,-852.939147949219,3128.6650390625,2.01487588882446,19.3241176605225,206.635040283203,-53.7463645935059,4120.80810546875,207.410308837891,3906.07202148438,100.689826965332,0.200000002980232,8.0,0.431508332490921,0.337686240673065,1731.07995605469,0.901514232158661,78.92138671875,9.86805555555556,0.0235587488859892,5.50676378772112,2.15254831314087,3631.95825195312,3.86416602134705,5.22319984436035,11.9988307952881,0.14912436902523,0.466666668653488,222.541168212891,0.508968234062195,3.0,464.936584472656,0.568491637706757,4.0,12.1499195098877,3.61310958862305,59.3199996948242,-1.1877019405365,31.3809337615967,0.0,-0.0748408138751984,0.89193731546402,0.875,8.20736503601074,0.25,611.049865722656,6.45544815063477,0.124009266495705,0.0,93.952507019043,0.624286234378815,7.46098,2.50380349159241,-0.28435018658638,12.5511426925659,16.5639305114746,-0.0436582155525684,16.7375469207764,0.0,138.95979309082,6.02672100067139,0.150785148143768,309.884429931641,8.49162292480469,212.047912597656,-0.242783635854721,8.0,647.415588378906,12.0387439727783,0.0685950964689255,2.0,16.9185371398926,736.0,13.1485500335693,4.6139087677002,0.414307802915573,14.1789312362671,6.21500015258789,0.440455734729767,19.6157245635986,6.0,59.32,3.0,9.86805534362793,1.27550840377808,293.187377929688,0.407229274511337,13.0,0.0,0.0,5.88000011444092,1.82885372638702,-98.37353515625,-612.531799316406,22.5333557128906,1.22729647159576,0.148322567343712,1500.35473632812,130.392,107.092529296875,8.88493728637695,-38.5975456237793,12.4864091873169,0.534522473812103,2.35346102714539,70.6649017333984,0.820843458175659,15.6332731246948,2.62538146972656,0.0,4.09521913528442,1.0,0.369109570980072,9.6961727142334,0.127829790115356,5.17225170135498,27.2818183898926,4.03642845153809
InChI%3D1S%2FC9H10ClN5O2%2Fc10-8-2-1-7%285-12-8%296-14-4-3-11-9%2814%2913-15%2816%2917%2Fh1-2%2C5H%2C3-4%2C6H2%2C%28H%2C11%2C13%29,,0.524088442325592,10.3076791763306,6.0,0.793700516223907,2.0,245.584995269775,0.909889280796051,0.290251314640045,0.0,0.234581008553505,0.872828364372253,28.0616321563721,,2.77497673034668,245.36930847168,928.491516113281,1.35662925243378,22.748140335083,-309.481414794922,1056.43591308594,4.86157846450806,6.6598744392395,32.3524856567383,-31.3185882568359,1387.79858398438,26.6171169281006,1162.41748046875,23.5227012634277,0.0,4.0,0.533427178859711,0.549336314201355,512.080017089844,0.672805428504944,,6.25,0.0419281981885433,4.0,0.0,957.51806640625,0.0,-0.171800002455711,,0.0901107117533684,0.5,147.528762817383,0.477971255779266,1.57000005245209,186.076293945312,0.466572850942612,1.0,11.5959882736206,1.23438096046448,,-0.588482856750488,16.5680694580078,0.721124768257141,-0.0595526918768883,0.0833333358168602,1.0,4.33270406723022,0.222222222222222,478.508148193359,3.32797622680664,0.269214510917664,1.0,26.7160015106201,0.336277455091476,0.5846,1.30622267723083,-0.253738969564438,5.35114765167236,,0.141891732811928,7.33870029449463,0.0,34.1375007629395,1.95003366470337,-0.153930246829987,280.527801513672,2.80908989906311,53.1544189453125,0.237328395247459,4.0,353.826416015625,3.54708576202393,0.0846774876117706,0.0,22.049919128418,273.0,0.730402410030365,,0.473301202058792,0.86939126253128,2.48499989509583,0.117851130664349,0.892299115657806,4.0,86.34,4.0,6.25,0.25,129.039001464844,0.0500000007450581,7.0,0.5,0.0,4.0,0.297409504652023,35.1584892272949,-162.755386352539,9.59261512756348,0.0818719118833542,0.205817252397537,663.307861328125,59.2281,47.3889617919922,0.463307350873947,-16.4703540802002,5.33631658554077,0.0,0.0,53.3685073852539,0.635951399803162,3.87221574783325,0.0861476957798004,0.0,0.025000000372529,2.0,0.405356854200363,2.50796556472778,0.138632729649544,1.65632140636444,0.0295152403414249,1.06995296478271
InChI%3D1S%2FC10HCl11%2Fc11-2-1-3%2812%295%2814%294%281%2C13%2910%2820%2C21%297%282%2C16%298%285%2C17%296%282%2C15%299%283%2C18%2919%2Fh1H,0.226789236068726,10.4271688461304,6.72227001190186,0.0,0.0,0.0,510.092987060547,0.980392932891846,7.06581735610962,0.0,0.0799847394227982,1.65480923652649,105.840286254883,-0.189911141991615,2.10979866981506,556.673461914062,3737.89013671875,1.17986857891083,46.4691123962402,-919.456420898438,5521.00732421875,5.79819583892822,2.9576621055603,125.025894165039,-83.3991088867188,10761.94140625,277.422973632812,11185.0244140625,257.476348876953,0.0,0.0,0.147259771823883,0.0,256.109985351562,0.243228659033775,34.9789161682129,2.22222222222222,0.0200243052095175,0.473372781065089,0.0,5540.1494140625,0.0,5.35629987716675,11.9985313415527,0.0196070689707994,0.5,62.7554817199707,0.410101443529129,1.35000002384186,103.653099060059,0.852740228176117,11.0,8.53345680236816,4.779700756073,0.0,-1.40846920013428,5.71320676803589,0.0,-0.127754911780357,5.76606512069702,1.0,12.7873115539551,0.0,640.005859375,11.3360023498535,0.31385213136673,0.0,14.6257524490356,0.537679433822632,5.8616,6.01158380508423,0.0640422403812408,0.0,17.1881408691406,-0.113140396773815,0.0,0.0,88.0130996704102,17.9416656494141,-0.516125321388245,96.131980895996,37.7298583984375,31.6741523742676,0.098790593445301,0.0,158.780990600586,74.986930847168,0.246168226003647,0.0,13.0719757080078,218.0,21.6349868774414,9.5758123397827,0.395254999399185,46.4662895202637,5.97900009155273,0.875347077846527,95.3409118652344,0.0,0.0,0.0,2.22222232818604,3.41489005088806,363.399475097656,0.937809228897095,0.0,0.0,0.0,0.473372787237167,10.5035638809204,-460.541473388672,-600.226135253906,17.550178527832,3.85983943939209,0.097042717039585,1078.23742675781,92.452,12.7996015548706,5.49936676025391,-54.4433898925781,9.85243892669678,0.0,0.850397050380707,96.471076965332,0.686536431312561,13.0620403289795,12.4850835800171,0.0,7.32742929458618,0.0,0.374512135982513,15.9948968887329,0.136416077613831,14.6378126144409,28.6899490356445,13.1021499633789
InChI%3D1S%2FC12H16N3O3PS%2Fc1-3-16-19%2820%2C17-4-2%2918-12-13-10-15%2814-12%2911-8-6-5-7-9-11%2Fh5-10H%2C3-4H2%2C1-2H3,0.295584261417389,1.07954955101013,18.4999694824219,6.0,0.333333343267441,6.0,297.190997123718,0.950996935367584,0.621914625167847,1.0,0.273411065340042,0.803998708724976,35.1815376281738,-0.309645444154739,4.78518581390381,108.532592773438,1106.587890625,1.31518471240997,36.3778915405273,-207.123458862305,1254.04626464844,0.193447321653366,12.9107847213745,46.0511436462402,-12.0736885070801,1661.89782714844,41.8908805847168,1510.95178222656,42.8579940795898,1.5,7.0,0.815570056438446,0.238851577043533,1301.07995605469,1.55643284320831,31.9720726013184,7.85204081632653,0.0408126190304756,4.76470588235294,2.46817970275879,1443.50720214844,0.63245552778244,2.35870003700256,11.8500003814697,0.0490030348300934,0.454545468091965,282.435211181641,0.568460881710052,1.89999997615814,538.9990234375,0.184429928660393,0.0,14.1335754394531,1.46423423290253,,-0.351965844631195,35.9321403503418,0.5,-0.020516874268651,0.0833333358168602,0.833333313465118,5.5659065246582,0.333333333333333,559.638916015625,3.55050802230835,0.25865912437439,0.0,76.0080413818359,0.564009070396423,3.5942,1.62145793437958,-0.52638852596283,7.14792346954346,9.58483791351318,0.47345107793808,5.09195375442505,1.0,86.383903503418,2.63327765464783,-0.378824293613434,479.943450927734,4.59542989730835,144.179458618164,0.213353931903839,7.0,915.923461914062,4.79465436935425,0.0434594601392746,3.0,24.0172481536865,352.0,1.77220225334167,4.98002481460571,0.43568941950798,2.76216554641724,2.69199991226196,0.117851130664349,2.30330276489258,9.0,100.3,6.0,7.85204076766968,0.253436774015427,63.8688316345215,0.0456435456871986,8.0,0.0,0.0,4.76470565795898,0.244929805397987,371.410858154297,-121.887199401855,13.3237657546997,0.0735306888818741,0.161730065941811,1123.046875,79.75,28.8371124267578,1.1253889799118,-7.10507678985596,9.11863040924072,0.0,0.111803397536278,36.0909385681152,0.807441234588623,6.98641395568848,0.0750136449933052,0.0,0.0263523142784834,0.0,0.311034440994263,5.09321546554565,0.154849767684937,3.88431334495544,5.56346559524536,1.76038193702698
InChI%3D1S%2FC8Cl4N2%2Fc9-5-3%281-13%296%2810%298%2812%297%2811%294%285%292-14,0.162714838981628,0.434356480836868,6.87158155441284,2.0,9.1254653930664,4.0,265.913993835449,0.761960685253143,0.11242251843214,0.0,0.183969885110855,1.99367811148932e-09,45.5709915161133,-0.257101595401764,2.8955020904541,357.925445556641,1059.82678222656,1.37211358547211,22.1393203735352,-364.748443603516,1238.884765625,13.900426864624,3.97607922554016,35.9462699890137,-59.6728782653809,1739.90417480469,64.5110931396484,1806.13317871094,65.2825164794922,0.0,0.0,0.230020895600319,7.10807609558105,14.0600004196167,0.234405711293221,34.9720077514648,4.68,0.0321134552359581,2.02040816326531,0.0,1119.21826171875,0.0,2.55640006065369,11.9985437393188,0.238039314746857,0.333333343267441,49.7043724060059,0.478971779346466,1.67999994754791,50.6518669128418,0.769979119300842,4.0,6.9392786026001,1.04196584224701,47.5800018310547,-0.784656941890717,3.0,0.0,-0.128369942307472,0.536491930484772,0.5,4.02093982696533,0.0,354.198089599609,2.23224329948425,0.42137348651886,0.0,11.5127458572388,0.327585756778717,4.04356,0.438459068536758,-0.0217668302357197,0.25,11.1184196472168,-0.0224696286022663,5.24148273468018,0.0,59.7775993347168,3.33378648757935,-0.168950691819191,106.925415039062,5.4429349899292,18.3843269348145,0.0194336883723736,0.0,108.96369934082,7.34114503860474,2.90133805869175e-10,0.0,14.9279670715332,132.0,1.95765221118927,4.90178108215332,0.488394886255264,2.62753510475159,2.40599989891052,0.0,3.17249298095703,2.0,47.58,2.0,4.67999982833862,0.0370370373129845,166.381958007812,0.0,10.0,0.0,0.0,2.02040815353394,0.200526431202888,-251.000030517578,-169.553634643555,9.4300012588501,0.015625,0.25131094455719,473.712158203125,55.912,110.652786254883,0.691946685314178,-27.7389888763428,4.71500062942505,0.0,0.0,74.6008453369141,0.576616287231445,3.74139356613159,0.0864933356642723,0.0,0.302450954914093,0.0,0.404746919870377,3.1923041343689,0.15365169942379,1.89992594718933,6.53518104553223,0.88941341638565
InChI%3D1S%2FC9H18N2O2S%2Fc1-9%282%2C3%297%286-14-5%2911-13-8%2812%2910-4%2Fh6H2%2C1-5H3%2C%28H%2C10%2C12%29,0.303554266691208,0.160761013627052,10.1641635894775,5.0,0.333333343267441,1.0,200.177997589111,0.822009861469269,0.0836516320705414,0.0,0.166593760251999,1.04875659942627,22.3966674804688,-0.324172109365463,3.46963739395142,145.190231323242,809.082336425781,1.37653779983521,18.0557765960693,-175.162246704102,842.775024414062,8.37032127380371,5.64576959609985,21.3818340301514,-22.9899005889893,1037.52941894531,22.5236263275146,945.833984375,23.3926792144775,0.0,5.0,0.694041132926941,2.21531128883362,779.049987792969,0.837313950061798,31.9720726013184,6.47750865051903,0.0374284572899342,6.1875,1.57347917556763,783.345153808594,2.98176050186157,2.17689990997314,11.8900003433228,0.17799012362957,0.5,156.290985107422,0.55230188369751,1.89999997615814,188.554565429688,0.305958837270737,0.0,8.42850685119629,1.7990380525589,79.4800033569336,-0.36911877989769,25.1937255859375,0.333333343267441,-0.0484465360641479,0.433012694120407,1.0,2.04865097999573,0.384615384615385,390.077941894531,1.37197804450989,0.341359853744507,2.0,29.1486167907715,0.290184408426285,2.3119,0.377961158752441,-0.211660414934158,0.0,10.4886026382446,0.0710713490843773,1.0,0.0,59.0262985229492,2.35468101501465,0.0193056203424931,329.351440429688,2.44177794456482,59.8566398620605,0.00876501575112343,5.0,397.340362548828,2.54156088829041,0.103181794285774,1.0,17.7613620758057,159.0,1.29109275341034,4.60342073440552,0.420999348163605,1.64220476150513,2.37199997901917,0.0,1.80019319057465,14.0,79.48,2.0,6.47750854492188,0.0,68.898811340332,0.0,6.0,0.0,1.0,6.1875,0.0,184.161224365234,-83.1217880249023,10.1817407608032,0.0,0.268659442663193,572.502624511719,62.3448,84.4637298583984,1.36988174915314,-10.9096660614014,5.69905614852905,0.5,0.25,40.7512626647949,0.859492361545563,4.68448734283447,0.0,1.0,0.237170830368996,0.0,0.403236657381058,2.13768196105957,0.251579195261002,1.41240847110748,4.73889350891113,0.90626209974289
InChI%3D1S%2FC16H15F2N3Si%2Fc1-22%2812-21-11-19-10-20-21%2C15-6-2-13%2817%293-7-15%2916-8-4-14%2818%295-9-16%2Fh2-11H%2C12H2%2C1H3,0.153955101966858,2.79740881919861,,3.0,1.53261888027191,0.0,300.278993606567,,1.55802536010742,0.0,,,30.5519638061523,-0.239836856722832,,,1262.48315429688,,31.7079105377197,,1494.43286132812,,,44.6260566711426,,2120.81225585938,44.4106216430664,2137.22827148438,40.0688934326172,0.0,4.0,,,1059.06005859375,,27.9769287109375,7.26643598615917,,3.92561983471074,3.1865541934967,1984.61486816406,1.26491105556488,3.13540005683899,11.8500003814697,,0.5,,,2.55999994277954,,,2.0,,1.76291561126709,,,36.5841064453125,0.5,,0.488641947507858,1.0,6.34225368499756,0.166666666666667,,4.76872539520264,,0.0,,0.333167254924774,2.2549,2.15388417243958,-0.172647923231125,14.3924131393433,11.5958185195923,0.00860782526433468,14.4207906723022,0.0,14.6127996444702,3.96077990531921,0.000497816887218505,,5.99977159500122,,0.0127953626215458,4.0,,8.01576519012451,,0.0,,357.0,5.32858180999756,4.0658221244812,,7.29906415939331,4.83199977874756,0.144337564706802,8.26193523406982,3.0,30.71,3.0,7.2664361000061,0.268728733062744,,0.0298142395913601,6.0,0.0,0.0,3.92561984062195,0.301031023263931,,,13.078179359436,0.0766374096274376,,,77.7782,,2.40846300125122,,9.6303825378418,0.0,0.265165030956268,,,9.57409572601318,0.135954141616821,0.0,0.780330061912537,0.0,,8.07918643951416,,5.93760204315186,9.83073329925537,4.09958267211914
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%2C1H2,0.260149985551834,4.23353624343872,6.79562997817993,0.0,7.24288654327393,2.0,403.733989715576,0.997916162014008,2.29388308525085,0.0,0.111516676843166,1.54405128955841,79.7020263671875,-0.16848136484623,1.97593402862549,428.924926757812,2474.07348632812,1.24836981296539,35.613899230957,-514.721984863281,3269.501953125,7.50432395935059,3.27564477920532,79.8440246582031,-62.8149490356445,5767.56982421875,159.398941040039,5729.45654296875,124.881561279297,0.0,0.0,0.210530176758766,0.216468155384064,370.079986572266,0.252642154693604,34.9759330749512,3.17896274653031,0.014607104472816,0.998959417273673,0.0,3299.20776367188,0.0,4.24259996414185,11.9985313415527,0.00208381307311356,0.333333343267441,62.1449508666992,0.460998296737671,1.67999994754791,74.5756912231445,0.789469838142395,8.0,4.31177043914795,2.80291223526001,0.0,-0.947386026382446,9.9192419052124,0.0,-0.115615822374821,2.54480147361755,0.5,7.34281063079834,0.0,542.175415039062,5.83734703063965,0.290765374898911,0.0,14.5811643600464,0.342368513345718,5.6828,2.28477692604065,-0.0140093760564923,0.0,15.8327598571777,-0.11138341575861,3.14734530448914,0.0,78.1775970458984,9.36445236206055,-0.0686454325914383,114.382637023926,16.4300899505615,31.3706016540527,-0.0426623672246933,0.0,137.262390136719,27.4662532806396,0.227212384343147,0.0,7.93615007400513,192.0,10.2446041107178,7.26024341583252,0.433319211006165,17.654426574707,4.35500001907349,0.161900758743286,29.7396392822266,0.0,0.0,0.0,3.17896270751953,0.829890787601471,233.038146972656,0.151484087109566,2.0,0.0,0.0,0.998959422111511,2.45943522453308,-314.542266845703,-279.65234375,14.5876550674438,0.810432255268097,0.13970097899437,651.984375,81.216,1.13215148448944,2.99182367324829,-34.1278381347656,8.35483455657959,0.0,0.324377715587616,70.7510986328125,0.662005066871643,9.29447555541992,2.47151970863342,0.0,2.90385413169861,0.0,0.354052275419235,9.79196166992188,0.191200703382492,7.46047782897949,17.9996547698975,5.9508228302002
InChI%3D1S%2FC9H4Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-4H,0.356705754995346,0.98825889825821,10.5200395584106,4.0,4.24264049530029,4.0,292.5299949646,0.788431525230408,0.641666293144226,0.0,0.334406942129135,0.354898929595947,47.1749382019043,-0.274255514144897,1.96782827377319,284.026062011719,1365.7646484375,1.24387335777283,27.6350154876709,-337.975891113281,1611.15539550781,7.62540006637573,8.1973123550415,75.3890151977539,-38.0807571411133,2272.47412109375,42.1041107177734,1974.83276367188,39.1493873596191,0.0,2.0,0.37979856133461,0.0,201.070007324219,0.451940089464188,34.9710578918457,4.3491124260355,0.0325892977416515,2.48828125,0.0,1635.98510742188,0.0,3.94350004196167,11.9985370635986,0.211568489670753,0.428571432828903,79.6533660888672,0.498465210199356,1.67999994754791,94.7832641601562,0.620201408863068,3.0,6.83479976654053,2.35380864143372,62.6800003051758,-0.738006711006165,11.8088283538818,0.0,-0.0831534266471863,0.36982524394989,0.75,4.68657207489014,0.117647058823529,361.068328857422,3.92355966567993,0.187055215239525,0.0,19.7385005950928,0.436678647994995,3.1964,1.42892241477966,-0.261816471815109,3.96540641784668,13.2208757400513,0.110318750143051,6.87156677246094,0.0,69.4048004150391,3.06982517242432,0.0260087978094816,173.931686401367,5.29395484924316,35.9833793640137,-0.228164657950401,2.0,206.969451904297,8.15641498565674,0.0337355136871338,0.0,14.9245204925537,183.0,1.9916273355484,5.88453102111816,0.471969157457352,2.9832911491394,2.41400003433228,0.0641500279307365,3.666170835495,5.0,62.68,3.0,4.34911251068115,0.347716152667999,130.071929931641,0.0279508493840694,11.0,0.25,1.0,2.48828125,0.615596115589142,-110.094360351562,-154.778671264648,10.6995363235474,0.117107070982456,0.229636758565903,544.9453125,62.6032,96.8894271850586,3.46349477767944,-17.4393768310547,6.04374742507935,0.0,0.892755091190338,53.0052757263184,0.865123093128204,7.10094261169434,0.171335071325302,0.0,0.103087343275547,2.0,0.273438930511475,3.29388976097107,0.277622014284134,2.54415130615234,15.5511922836304,1.84061539173126
InChI%3D1S%2FC6H10O%2Fc7-6-4-2-1-3-5-6%2Fh1-5H2,0.132702961564064,0.0721687823534012,4.19667434692383,1.0,0.0,1.0,88.0649976730347,0.854649543762207,0.0,0.0,0.0750189051032066,0.61220908164978,7.77446889877319,-0.299189269542694,1.76580059528351,67.9686584472656,282.326141357422,1.32023632526398,7.33209180831909,-30.1997909545898,292.196197509766,32.2339935302734,1.81866466999054,8.66418361663818,-15.3562068939209,321.069000244141,5.66418409347534,188.0625,1.33209192752838,0.0,0.0,0.793635666370392,9.42571640014648,247.009994506836,0.352627694606781,15.9949159622192,2.34375,0.033381711691618,1.5,0.0,27.6939754486084,0.0,-1.05820000171661,11.8999996185303,0.145350441336632,0.25,86.0932846069336,0.538384258747101,2.00999999046326,38.2529106140137,0.206364348530769,0.0,3.62123489379883,0.288675129413605,17.0699996948242,-0.0916916728019714,11.8900699615479,0.0,-0.0466240383684635,0.0,0.333333343267441,1.30671286582947,0.0,281.489440917969,0.901047587394714,0.42076188325882,0.0,5.40584135055542,0.119860500097275,1.5196,0.0,-0.0240863692015409,6.08364343643188,6.78235864639282,-0.0319590643048286,3.04182171821594,0.0,23.17919921875,0.40824830532074,-0.00359773938544095,261.393768310547,0.433012694120407,11.5685634613037,-0.000287080794805661,0.0,116.142311096191,0.40824830532074,0.145879581570625,0.0,10.9946813583374,45.0,0.144337564706802,4.1998724937439,0.443770498037338,0.153093114495277,0.9200000166893,0.0,0.144337564706802,0.0,17.07,1.0,2.34375,0.102062076330185,22.3863220214844,0.0,2.0,0.0,0.0,1.5,0.102062076330185,193.425109863281,-9.94667625427246,4.44378232955933,0.0883883461356163,0.673323392868042,146.342102050781,28.092,47.8729705810547,0.102062076330185,-5.05775737762451,2.91123104095459,0.0,0.0,26.350887298584,0.316327929496765,2.09933519363403,0.0360843911767006,0.0,0.0,1.0,0.33808159828186,1.4112309217453,0.298523545265198,0.946114242076874,1.11978721618652,0.632392168045044
InChI%3D1S%2FC17H12ClFN2O%2Fc18-16-4-2-1-3-15%2816%2917%2822%2C13-9-20-11-21-10-13%2912-5-7-14%2819%298-6-12%2Fh1-11%2C22H,0.145745158195496,0.89597338438034,11.8592071533203,3.0,3.5395290851593,10.0,302.650992393494,0.723540902137756,0.503219425678253,0.0,0.120270818471909,1.43303894996643,32.7092437744141,-0.375482827425003,4.57134389877319,228.537033081055,1600.22729492188,1.18565225601196,27.5303554534912,-359.974700927734,1915.55603027344,3.57032990455627,5.85482454299927,40.7556800842285,-36.7837715148926,2764.69384765625,47.6760749816895,3048.32055664062,50.4690246582031,0.0,3.0,0.550311148166656,3.2047221660614,834.049987792969,0.866809546947479,34.9693794250488,7.26643598615917,0.0471509620547295,3.44047080126754,0.0,2821.05224609375,0.0,0.430400013923645,11.9985122680664,0.276459127664566,0.444444447755814,142.133758544922,0.417304158210754,2.77999997138977,223.878601074219,0.449688881635666,2.0,12.1780986785889,1.52712869644165,,-0.708316743373871,17.3814830780029,0.5,-0.0723788663744926,0.688258171081543,0.800000011920929,6.78583812713623,0.125,367.711761474609,5.46850252151489,0.385467916727066,0.0,41.7055244445801,0.331310391426086,3.5533,2.2491466999054,-0.172481164336205,14.0052347183228,12.8676309585571,0.098351038992405,18.0313930511475,0.0,92.4567031860352,4.19486522674561,-0.173962950706482,279.674438476562,7.2463264465332,91.9191818237305,0.163497358560562,3.0,440.522521972656,10.7125568389893,0.120837666094303,0.0,23.9626598358154,333.0,1.61544716358185,4.13981103897095,0.393860220909119,2.35777282714844,0.189999997615814,0.0,2.92925190925598,2.0,46.01,3.0,7.2664361000061,0.268728733062744,116.145141601562,0.0,6.0,0.0,0.0,3.44047069549561,0.301031023263931,51.1373901367188,-182.943267822266,12.2043514251709,0.0748005658388138,0.238341644406319,800.497253417969,81.9848,140.499694824219,0.695698022842407,-18.6939334869385,6.98839902877808,0.0,0.0279508493840694,60.7464294433594,0.682415127754211,5.23150253295898,0.0793963372707367,1.0,0.213764876127243,0.0,0.374487906694412,3.83358073234558,0.134508371353149,2.68179655075073,0.185244157910347,1.79920256137848
InChI%3D1S%2FC15H16Cl3N3O2%2Fc1-2-4-20%2815%2822%2921-5-3-19-10-21%296-7-23-14-12%2817%298-11%2816%299-13%2814%2918%2Fh3%2C5%2C8-10H%2C2%2C4%2C6-7H2%2C1H3,0.282627373933792,0.88371878862381,14.7678136825562,4.0,3.51675915718079,6.0,360.542991638184,0.907871842384338,0.386247873306274,0.0,0.18997560441494,2.38445925712585,48.767162322998,-0.34013107419014,3.72005081176758,290.785369873047,1555.30151367188,1.33811473846436,32.1809692382812,-529.908569335938,1755.85192871094,1.43479239940643,8.66330337524414,47.1983489990234,-39.1951446533203,2299.2158203125,53.1175231933594,2208.0,67.4676971435547,0.0,8.0,0.542585492134094,0.258424788713455,1258.07995605469,0.988772928714752,34.9708557128906,9.474609375,0.0293694324791431,5.5,1.98316872119904,1933.97277832031,0.705183923244476,0.0899000018835068,11.9943437576294,0.0921281576156616,0.5,219.277160644531,0.436720579862595,2.23000001907349,399.596588134766,0.457414507865906,3.0,11.8691816329956,1.42194581031799,,-0.833562791347504,28.4317264556885,0.0,-0.0616551972925663,0.38490018248558,1.0,6.36976718902588,0.333333333333333,577.14794921875,3.77246165275574,0.251902610063553,0.0,61.7555313110352,0.550151169300079,4.6024,1.39521718025208,-0.374109864234924,8.35640335083008,10.311279296875,0.164148956537247,10.7220325469971,0.0,95.2766036987305,3.31335735321045,-0.0434444472193718,344.929870605469,5.36084032058716,153.369522094727,-0.139303356409073,8.0,628.578002929688,6.31974506378174,0.161463260650635,1.0,18.6705951690674,455.0,1.40104818344116,5.41909551620483,0.392898112535477,2.21787714958191,3.51600003242493,0.144337564706802,2.13566446304321,9.0,47.36,4.0,9.474609375,0.138888895511627,184.856674194336,0.0527046285569668,7.0,0.0,0.0,5.5,0.337396234273911,54.1444969177246,-336.870941162109,14.9575386047363,0.0471856482326984,0.186596125364304,1158.48657226562,91.852,58.5672721862793,0.81125545501709,-24.9169502258301,8.38922882080078,0.200000002980232,0.0,57.8657417297363,0.705152750015259,6.21524238586426,0.101916909217834,0.0,0.103894390165806,1.0,0.508496046066284,3.99408674240112,0.155044466257095,3.08331823348999,0.00808200985193253,1.4424055814743
InChI%3D1S%2FC22H17N3O5%2Fc1-27-13-17%2822%2826%2928-2%2916-8-4-6-10-19%2816%2930-21-11-20%2824-14-25-21%2929-18-9-5-3-7-15%2818%2912-23%2Fh3-11%2C13-14H%2C1-2H3,0.321696668863297,0.768447875976562,17.8759651184082,8.0,7.73351860046387,11.0,386.257990837097,0.800353705883026,0.406992077827454,0.0,0.160274907946587,3.41231346130371,34.9523086547852,-0.422546237707138,4.6849045753479,268.947326660156,1742.06787109375,1.1768434047699,35.8197555541992,-694.800476074219,2007.32958984375,1.58691763877869,9.77874660491943,47.7287712097168,-45.6267929077148,2689.95288085938,52.6426734924316,2845.96215820312,54.3018379211426,1.0626585483551,8.0,0.646650910377502,0.0,1531.07995605469,1.67056262493134,15.9989500045776,12.8888888888889,0.0453195422887802,6.99768595041322,2.92087054252625,2675.41528320312,2.72532725334167,0.870299994945526,11.9528999328613,0.199646309018135,0.5,374.624786376953,0.437649637460709,3.0,967.808349609375,0.353349059820175,0.0,26.2550048828125,1.41611611843109,103.559997558594,-0.91284453868866,30.506519317627,0.5,-0.0599455051124096,0.303155303001404,1.0,8.46829319000244,0.25,609.179443359375,6.86257982254028,0.262078434228897,0.0,95.167007446289,0.930115342140198,4.09318,2.97925233840942,-0.572204411029816,12.8536071777344,10.6110820770264,0.297173351049423,22.1577701568604,0.0,116.773002624512,3.66347503662109,-0.53482460975647,492.190460205078,6.07922649383545,269.369567871094,0.445042312145233,8.0,1271.52844238281,8.35843467712402,0.190888360142708,4.0,34.4944190979004,698.0,1.00851500034332,4.3566837310791,0.425535440444946,1.31220436096191,1.44400000572205,0.0,1.41808581352234,8.0,103.56,6.0,12.8888893127441,0.25,204.705993652344,0.0,28.0,0.0,0.0,6.99768590927124,0.34274035692215,223.243133544922,-528.838928222656,16.233736038208,0.0722222253680229,0.137586772441864,1966.32885742188,106.781,151.958358764648,0.481433391571045,-34.7282752990723,8.73488807678223,0.918299555778503,0.0,80.121208190918,0.687534928321838,5.7615385055542,0.0640665143728256,0.0,0.0668821558356285,1.0,0.31365829706192,3.87170839309692,0.114425502717495,2.53530478477478,0.757422089576721,1.62496542930603
InChI%3D1S%2FC15H17Cl2N3O%2Fc1-15%282%2C3%2914%2821%2913%2820-9-18-8-19-20%296-10-4-5-11%2816%297-12%2810%2917%2Fh4-9%2C14%2C21H%2C1-3H3,0.0965669378638268,0.964818298816681,12.6051206588745,3.0,3.87917613983154,7.0,309.090992927551,0.902953863143921,0.519043564796448,0.0,0.171684876084328,1.64329063892365,38.2799415588379,-0.386296063661575,3.87464499473572,207.079727172852,1607.62927246094,1.34948897361755,27.4264812469482,-348.376068115234,1857.56323242188,2.88990545272827,7.08718490600586,42.0220375061035,-29.691068649292,2571.75561523438,42.4714469909668,2449.53588867188,45.2812843322754,0.0,4.0,0.634990572929382,1.77015471458435,1429.06005859375,1.0682624578476,34.969856262207,7.05078125,0.0374528355896473,4.48753462603878,3.14304852485657,2300.33618164062,3.50282764434814,2.19510006904602,11.9943437576294,0.0970461145043373,0.444444447755814,204.378036499023,0.404609173536301,2.45000004768372,343.830963134766,0.36500945687294,2.0,12.0545682907104,2.52648544311523,,-0.614065706729889,25.7773475646973,0.5,-0.052335012704134,0.753933906555176,0.800000011920929,5.26042699813843,0.181818181818182,512.270141601562,3.72408008575439,0.307386577129364,0.0,45.4738006591797,0.286580473184586,3.99,1.60076749324799,-0.148392304778099,4.30137777328491,11.6152286529541,-0.0119691276922822,11.1031303405762,0.0,91.869499206543,4.34382247924805,0.024682080373168,360.247314453125,5.48592615127563,103.204216003418,-0.00077779171988368,4.0,606.05419921875,7.53024482727051,0.130366921424866,0.0,21.2480068206787,318.0,2.17145109176636,6.35039091110229,0.480154454708099,2.46755790710449,2.9449999332428,0.144337564706802,2.84357643127441,8.0,50.94,4.0,7.05078125,0.151374712586403,117.48193359375,0.0559016987681389,10.0,0.0,0.0,4.48753452301025,0.291233360767365,153.167587280273,-197.643173217773,13.9631786346436,0.0520071126520634,0.229582443833351,954.430297851562,86.1128,55.056884765625,2.02014660835266,-16.8445472717285,7.60892820358276,0.0,0.288675129413605,50.9390754699707,0.829162299633026,7.01827144622803,0.100718222558498,1.0,0.291222631931305,0.0,0.464725285768509,3.90527963638306,0.125223264098167,2.54655718803406,4.81846380233765,1.54092633724213
InChI%3D1S%2FC6H3Cl3N2O2%2Fc7-1-3%2810%292%288%295%289%2911-4%281%296%2812%2913%2Fh%28H2%2C10%2C11%29%28H%2C12%2C13%29,0.380461096763611,0.287960469722748,7.2192964553833,3.0,8.09800910949707,4.0,238.436994552612,0.68131810426712,0.0782040655612946,0.0,0.2366783618927,0.0459597669541836,38.4071731567383,-0.327703267335892,2.48870301246643,292.901245117188,843.92041015625,1.18236434459686,20.017951965332,-427.783630371094,970.124877929688,8.07134914398193,4.68463373184204,33.4705390930176,-52.4366455078125,1338.45849609375,50.5102043151855,1299.90417480469,40.6804885864258,0.0,1.0,0.302711874246597,1.52864897251129,100.069999694824,0.442112118005753,34.9708557128906,4.02216066481994,0.0493879318237305,2.08333333333333,0.0,763.328063964844,0.0,0.310000002384186,11.9886980056763,0.318681925535202,0.333333343267441,53.4130477905273,0.538777351379395,1.35000002384186,78.010009765625,0.69728809595108,3.0,8.7144250869751,1.28246867656708,,-1.01839256286621,6.15762090682983,0.0,-0.124832011759281,0.572955191135406,0.5,3.12483382225037,0.0769230769230769,286.192901611328,2.13841938972473,0.344729274511337,0.0,11.9883470535278,0.413994669914246,0.9875,0.431824386119843,-0.145025447010994,0.0,10.2513656616211,-0.121415629982948,0.0,0.0,52.5013008117676,3.29137468338013,0.113941840827465,127.156455993652,4.43351984024048,19.7434730529785,-0.100691109895706,1.0,185.712600708008,6.28542757034302,0.0063662389293313,0.0,20.7457809448242,119.0,1.38045263290405,4.4381947517395,0.394538551568985,1.5317987203598,-1.02900004386902,0.0,1.82233166694641,2.0,79.04,4.0,4.02216053009033,0.0453609228134155,123.035423278809,0.0,10.0,0.5,0.0,2.08333325386047,0.207632824778557,-165.74479675293,-179.693817138672,8.28170585632324,0.0139754246920347,0.223513722419739,613.496215820312,48.6964,133.864791870117,0.58396053314209,-22.0264167785645,4.11445999145508,0.0,0.0,73.1824264526367,0.556543111801147,3.21195435523987,0.0625963509082794,1.0,0.19560481607914,1.0,0.249048456549644,2.40994381904602,0.213192000985146,1.26207494735718,0.096100002527237,0.694724321365356
InChI%3D1S%2FC9H8Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-2%2C5-6H%2C3-4H2,0.356682658195496,1.46552443504333,8.4715747833252,4.0,4.24264049530029,2.0,292.5299949646,0.822773337364197,0.995282053947449,0.0,0.199546992778778,1.49439382553101,47.1749382019043,-0.27961865067482,1.89935302734375,232.206665039062,1417.59130859375,1.34790503978729,27.6350154876709,-280.755645751953,1673.32006835938,6.87109088897705,5.0778284072876,75.3890151977539,-34.1228981018066,2364.078125,42.1041107177734,2060.90991210938,39.1493873596191,0.0,2.0,0.488546073436737,0.0,385.070007324219,0.590689599514008,34.9710578918457,4.3491124260355,0.026368111371994,2.48828125,0.0,1696.76635742188,0.0,3.23449993133545,11.9985370635986,0.177226677536964,0.428571432828903,100.702865600586,0.377504646778107,1.67999994754791,121.757476806641,0.511453926563263,3.0,5.43519735336304,2.35380864143372,62.6800003051758,-0.61838698387146,16.1816558837891,0.0,-0.0751584395766258,0.36982524394989,0.75,4.68657207489014,0.117647058823529,373.549652099609,3.92355966567993,0.224203065037727,0.0,20.0712451934814,0.43500217795372,2.8514,1.42892241477966,-0.228622242808342,3.96540641784668,13.2399339675903,0.0984530672430992,6.87156677246094,0.0,68.1818008422852,3.06982517242432,-0.0228299684822559,221.806198120117,5.29395484924316,42.9556312561035,-0.199142158031464,2.0,268.180694580078,8.15641498565674,0.176400944590569,0.0,11.9714612960815,183.0,2.3341372013092,5.94171857833862,0.513789713382721,3.6075336933136,2.26799988746643,0.0641500279307365,4.68471479415894,5.0,62.68,3.0,4.34911251068115,0.347716152667999,105.424812316895,0.0372678004205227,5.0,0.25,1.0,2.48828125,0.615596115589142,-10.4004716873169,-127.466674804688,11.1137495040894,0.184332758188248,0.230439200997353,548.936340332031,62.8682,80.4631881713867,3.56898164749146,-15.4922342300415,6.59340715408325,0.0,0.892755091190338,46.0943565368652,0.860360383987427,7.77732419967651,0.278502225875854,0.0,0.149249538779259,2.0,0.456610709428787,4.03246784210205,0.273214757442474,3.24216198921204,10.4619903564453,2.48183035850525
InChI%3D1S%2FC21H28O2%2Fc1-13%282%2917-11-15%287-9-19%2817%2922%2921%285%2C6%2916-8-10-20%2823%2918%2812-16%2914%283%294%2Fh7-14%2C22-23H%2C1-6H3,0.0779000371694565,1.36320388317108,14.19899559021,2.0,8.03254318237305,8.0,284.228992462158,0.856501340866089,0.610835075378418,0.0,0.129489183425903,2.52573394775391,24.5489387512207,-0.361108601093292,4.48877429962158,156.781936645508,1735.5224609375,1.57780683040619,24.6641845703125,-231.781677246094,2033.29406738281,5.73691701889038,7.18448686599731,37.328369140625,-22.8248138427734,2923.74340820312,41.9925537109375,3093.99829101562,37.9925537109375,0.0,4.0,0.753093600273132,3.13851380348206,2198.02001953125,1.1133508682251,15.995924949646,7.48611111111111,0.0368167571723461,4.15879017013232,7.90068483352661,2675.8642578125,11.8939819335938,2.95819997787476,11.8900003433228,0.14349864423275,0.5,303.652160644531,0.525369942188263,3.54999995231628,448.910186767578,0.246906384825706,0.0,14.8447513580322,2.60959553718567,40.4599990844727,-0.365018934011459,30.6097965240479,0.0,-0.0359454192221165,1.08662402629852,1.0,6.25698852539062,0.166666666666667,543.865783691406,4.58818483352661,0.316133230924606,0.0,61.733097076416,0.110232055187225,5.6705,1.85453188419342,-0.0408682525157928,4.71541213989258,12.1269454956055,-0.00921308621764183,15.7778415679932,0.0,102.402496337891,5.83533191680908,-0.00650922022759914,478.203430175781,8.01158237457275,157.385864257812,0.015094724483788,4.0,706.961486816406,10.1660957336426,0.177881181240082,0.0,23.3780994415283,372.0,3.18396806716919,5.4884991645813,0.505721926689148,3.48615097999573,5.3899998664856,0.0,3.88032364845276,3.0,40.46,0.0,7.48611116409302,0.136082768440247,99.5542297363281,0.0,7.0,0.100000001490116,0.0,4.15879011154175,0.282691568136215,321.421478271484,-147.177978515625,15.0132293701172,0.0481125228106976,0.243584915995598,938.7431640625,96.5196,91.1195373535156,1.78978300094604,-14.4934225082397,8.31003284454346,0.0,0.125,46.2029151916504,0.706227779388428,7.48159074783325,0.073350615799427,2.0,0.543033123016357,0.0,0.546714901924133,4.74245452880859,0.147323623299599,2.97808885574341,8.75094699859619,1.95373404026031
InChI%3D1S%2FC24H17N5O7%2Fc1-36-21-10-9-17%2829%2834%2935%2913-20%2821%2926-27-22-18-8-3-2-5-14%2818%2911-19%2823%2822%2930%2924%2831%2925-15-6-4-7-16%2812-15%2928%2832%2933%2Fh2-13%2C30H%2C1H3%2C%28H%2C25%2C31%29,,1.21420633792877,27.3435192108154,10.0,14.1615562438965,19.0,470.291989326477,0.904416024684906,0.70404839515686,0.0,0.308862000703812,1.48328483104706,43.2212219238281,,5.48522901535034,432.3544921875,2217.7119140625,1.16124868392944,43.8993301391602,-1100.04162597656,2629.61938476562,2.20468425750732,20.3750057220459,62.2516403198242,-56.3744049072266,3707.36401367188,70.2455520629883,3996.28662109375,67.7951889038086,0.0,7.0,0.502608954906464,0.721335530281067,1876.11999511719,1.2787903547287,,13.3752066115702,0.034732460975647,7.15856633514731,1.49184441566467,3615.015625,1.7211811542511,-0.686900019645691,,0.0955839529633522,0.5,379.764434814453,0.555785775184631,2.77999997138977,966.236450195312,0.497391045093536,0.0,26.243371963501,2.54052472114563,155.050003051758,-1.26551425457001,25.6525192260742,0.965489387512207,-0.0648544728755951,0.793623507022858,1.0,10.7105731964111,0.179487179487179,786.158813476562,8.7222671508789,0.200604364275932,3.0,150.119659423828,0.542315006256104,7.4685,4.63225984573364,-0.156027793884277,11.7611560821533,,-0.0739272758364677,28.1874618530273,0.0,24.1284008026123,6.22369956970215,-0.0905019268393517,436.890167236328,9.09249496459961,343.237426757812,-0.0288224350661039,7.0,1111.58166503906,12.8051338195801,0.0542463026940823,1.0,30.1910076141357,943.0,1.63616645336151,,0.399891346693039,2.03839635848999,8.08500003814697,0.0,2.28320217132568,3.0,178.41,4.0,13.3752069473267,0.280068963766098,375.821838378906,0.0,35.0,1.85661208629608,0.0,7.15856647491455,0.517360031604767,4.53565788269043,-956.205261230469,18.5999393463135,0.097654014825821,0.140498638153076,2211.62329101562,135.6946,83.0858383178711,0.811091959476471,-49.0031509399414,10.2956247329712,0.686807036399841,0.0,86.565414428711,0.863641321659088,7.36811017990112,0.132100954651833,2.0,0.12332459539175,4.0,0.205571517348289,5.14262294769287,0.0862621292471886,3.42178750038147,0.471831619739532,2.27375292778015
InChI%3D1S%2FC14H17Cl2N3O%2Fc1-2-3-6-14%2820%2C8-19-10-17-9-18-19%2912-5-4-11%2815%297-13%2812%2916%2Fh4-5%2C7%2C9-10%2C20H%2C2-3%2C6%2C8H2%2C1H3,0.12790310382843,1.2023104429245,13.183313369751,3.0,1.65096366405487,5.0,297.079993247986,0.933682918548584,0.63822990655899,0.0,0.144227162003517,1.34960997104645,37.2799415588379,-0.383199334144592,4.90407609939575,183.433364868164,1466.45727539062,1.36301517486572,26.4264812469482,-309.681243896484,1690.47534179688,2.32024598121643,6.92962694168091,39.1879425048828,-25.9100475311279,2329.2109375,39.9731712341309,2287.609375,51.3306350708008,0.0,6.0,0.686663091182709,0.71075838804245,1384.06005859375,1.15925848484039,34.970157623291,7.31985731272295,0.0403564758598804,4.25,2.09707522392273,2197.52783203125,0.482744693756104,0.125900000333786,11.9985179901123,0.0663170740008354,0.444444447755814,235.329956054688,0.478223830461502,2.33999991416931,397.295623779297,0.313336908817291,2.0,13.8307828903198,1.64893853664398,,-0.528990864753723,25.7773475646973,0.5,-0.0442589819431305,0.308925569057465,0.800000011920929,5.59413719177246,0.285714285714286,546.595642089844,3.60843563079834,0.371991187334061,0.0,49.9543037414551,0.297450453042984,3.6629,1.48720228672028,-0.144292622804642,9.83856391906738,11.8421955108643,-0.0125471195206046,8.78538227081299,0.0,82.8873977661133,3.22963523864746,0.0031556102912873,401.985565185547,5.72910070419312,109.001976013184,0.00793385040014982,6.0,678.65185546875,7.15706396102905,0.102372594177723,0.0,23.6254463195801,291.0,1.6217337846756,5.39932775497437,0.422804892063141,2.57488942146301,2.53800010681152,0.144337564706802,2.90368175506592,7.0,50.94,4.0,7.31985712051392,0.170103460550308,107.385360717773,0.0559016987681389,6.0,0.0,0.0,4.25,0.22113448381424,218.552200317383,-181.293258666992,13.136905670166,0.0635847300291061,0.226943075656891,988.333068847656,79.9058,38.8232688903809,0.931535124778748,-15.1682319641113,7.6764702796936,0.0,0.0559016987681389,49.5354919433594,0.823738873004913,6.04389476776123,0.086346834897995,1.0,0.128973498940468,0.0,0.461986482143402,4.1069598197937,0.125015407800674,3.06139326095581,0.0158508103340864,1.8343311548233
InChI%3D1S%2FC10H13ClO%2Fc1-10%282%2C3%297-4-5-9%2812%298%2811%296-7%2Fh4-6%2C12H%2C1-3H3,0.146868407726288,0.353064090013504,8.01139736175537,1.0,1.65096366405487,5.0,171.561995506287,0.872890949249268,0.15523587167263,0.0,0.24446576833725,0.82426518201828,20.4872226715088,-0.358396351337433,1.90531659126282,141.499038696289,761.038146972656,1.25955617427826,14.2838296890259,-116.521812438965,853.201232910156,14.9713554382324,5.28181600570679,22.5676593780518,-22.4836597442627,1161.56921386719,23.4996452331543,979.30615234375,14.2355670928955,0.0,1.0,0.627585351467133,3.67568922042847,493.019989013672,0.516804814338684,34.9693794250488,3.39506172839506,0.0291951075196266,2.49307479224377,2.72568082809448,595.306640625,2.63161587715149,2.56960010528564,11.9985313415527,0.127109050750732,0.5,90.599594116211,0.483654141426086,2.33999991416931,74.6070709228516,0.372414648532867,1.0,4.21466970443726,1.98176753520966,20.2299995422363,-0.306676506996155,14.6316909790039,0.0,-0.0591752789914608,0.599679350852966,1.0,2.33410310745239,0.0833333333333333,331.655120849609,1.8916779756546,0.237825751304626,0.0,15.9876337051392,0.0887349471449852,3.3431,0.416503101587296,-0.0199520103633404,1.65096366405487,9.93495178222656,-0.045547753572464,5.85380077362061,0.0,55.1842002868652,2.9506402015686,0.0203751716762781,238.451202392578,2.99169087409973,32.2940483093262,0.00658525573089719,1.0,196.360107421875,3.91468596458435,0.102886565029621,0.0,11.0926885604858,110.0,1.60304808616638,5.27966690063477,0.503506600856781,1.46831023693085,3.08400011062622,0.0,1.72230970859528,4.0,20.23,0.0,3.3950617313385,0.0680413842201233,53.7625923156738,0.0,7.0,0.0,0.0,2.49307489395142,0.170103460550308,96.952163696289,-44.2724876403809,8.31315803527832,0.0240562614053488,0.435182571411133,312.881927490234,51.8168,48.2951164245605,1.56154644489288,-8.5426721572876,4.27858734130859,0.0,0.25,33.5763473510742,0.741685152053833,4.32339096069336,0.0500636547803879,1.0,0.292257726192474,0.0,0.272395461797714,2.11644005775452,0.26457804441452,1.15395152568817,6.60284423828125,0.84147435426712
InChI%3D1S%2FC12H14O4%2Fc1-3-15-11%2813%299-7-5-6-8-10%289%2912%2814%2916-4-2%2Fh5-8H%2C3-4H2%2C1-2H3,0.295095503330231,0.347360581159592,12.7901792526245,4.0,3.96540641784668,4.0,208.127994537354,0.838490664958954,0.168736919760704,,0.220590472221375,0.934901773929596,19.0978755950928,-0.313052445650101,3.83002877235413,184.614974975586,771.171447753906,1.28084707260132,17.9925518035889,-266.657196044922,855.117126464844,1.13824474811554,8.02524852752686,23.5414905548096,-27.8053359985352,1091.85131835938,25.3209190368652,1121.61254882812,26.6492881774902,0.200000002980232,6.0,0.654773056507111,0.0768148377537727,660.039978027344,0.945751786231995,15.9979267120361,7.35,0.028183825314045,4.0768,2.58189058303833,968.364685058594,1.83659911155701,1.53540003299713,11.8900003433228,0.161509335041046,0.444444447755814,187.247177124023,0.487955808639526,2.33999991416931,270.459136962891,0.345226943492889,0.0,8.0598030090332,0.743570029735565,52.5999984741211,-0.498644530773163,21.0528984069824,0.0,-0.0519955158233643,0.248005643486977,0.800000011920929,3.94007611274719,0.375,448.394714355469,2.69946551322937,0.299450755119324,0.0,41.8204536437988,0.545748293399811,2.04,0.939217805862427,-0.363224506378174,4.75757694244385,9.432354927063,0.191436752676964,9.16719913482666,,61.0800018310547,1.94548285007477,-0.029384208843112,350.149108886719,3.19577264785767,83.3466415405273,-0.327122509479523,6.0,505.754119873047,4.3730788230896,0.0730952844023705,,15.0716981887817,210.0,0.505391359329224,4.7785701751709,0.416696012020111,0.676681220531464,1.79200005531311,0.0,0.716039001941681,5.0,52.6,4.0,7.34999990463257,0.0833333358168602,98.7254638671875,0.0,12.0,0.200000002980232,,4.07679986953735,0.096225045621395,165.534133911133,-142.598693847656,9.35660743713379,0.0277777779847383,0.216043516993523,772.411315917969,58.355,86.3693923950195,0.227670907974243,-14.8692951202393,5.13541078567505,1.26491105556488,0.0,42.8770332336426,0.728590309619904,2.98652410507202,0.0277777779847383,,0.0448895953595638,,0.376195251941681,1.91775572299957,0.203545659780502,1.25680637359619,2.35745310783386,0.739975929260254
InChI%3D1S%2FC8H5Cl3O3%2Fc9-4-1-6%2811%297%282-5%284%2910%2914-3-8%2812%2913%2Fh1-2H%2C3H2%2C%28H%2C12%2C13%29,0.285535275936127,0.406637728214264,7.81698703765869,2.0,3.87917613983154,6.0,250.44399356842,0.688068091869354,0.13314488530159,0.0,0.259133398532867,0.493804395198822,39.4616661071777,-0.333389431238174,2.01666378974915,303.74658203125,836.866333007812,1.37364995479584,21.1835803985596,-401.199127197266,937.42529296875,3.22467660903931,5.3065185546875,33.1453514099121,-53.0747299194336,1227.66320800781,42.568286895752,1117.76635742188,32.4479637145996,0.0,3.0,0.282679319381714,3.05193471908569,179.059997558594,0.373372763395309,34.9710578918457,5.18559556786704,0.0344909615814686,3.59183673469388,0.0,712.489624023438,0.0,1.46700000762939,11.9985437393188,0.311931908130646,0.5,50.6862411499023,0.555264055728912,1.67999994754791,66.9481658935547,0.717320680618286,3.0,6.18445348739624,1.28202176094055,46.5299987792969,-0.94746232032776,9.60003471374512,0.0,-0.125340014696121,0.284517794847488,1.0,2.90312910079956,0.214285714285714,291.359680175781,2.36031723022461,0.257984787225723,0.0,14.317684173584,0.462374329566956,1.7755,0.611921787261963,-0.165841609239578,0.908560276031494,9.85549354553223,-0.205116018652916,7.42111539840698,0.0,57.8325004577637,2.33358860015869,0.18231463432312,119.699424743652,2.55570721626282,27.4190998077393,-0.00785452965646982,3.0,158.103210449219,3.85326457023621,0.0631706789135933,1.0,14.6050586700439,168.0,1.16525530815125,3.7121114730835,0.438517242670059,1.13314759731293,2.16899991035461,0.0,1.51129293441772,5.0,49.36,2.0,5.18559551239014,0.0555555559694767,128.620269775391,0.0,7.0,0.5,0.0,3.59183669090271,0.205950379371643,-184.047149658203,-169.886169433594,9.02719783782959,0.020833333954215,0.252183794975281,559.302368164062,52.6605,132.086318969727,0.614465534687042,-22.4742813110352,4.62962436676025,0.666666686534882,0.0,67.6797866821289,0.782510221004486,3.60075283050537,0.0793735086917877,1.0,0.145718693733215,1.0,0.379868626594543,2.34347581863403,0.216135889291763,1.34579718112946,2.15208911895752,0.911625981330872
InChI%3D1S%2FC5H13ClN%2Fc1-7%282%2C3%295-4-6%2Fh4-5H2%2C1-3H3,0.104480937123299,0.0,8.25307655334473,0.0,0.0,0.0,109.5149974823,0.992421746253967,0.0,0.0,0.292301028966904,0.864034354686737,15.0727415084839,-0.349392712116241,1.42150628566742,96.7329788208008,346.570983886719,1.54944539070129,8.6164779663086,-57.8262825012207,337.362945556641,1.65246880054474,5.96753597259521,10.1179227828979,-14.0229969024658,381.983642578125,6.44227266311646,188.636016845703,8.85521221160889,0.0,2.0,0.740729689598083,0.0574454292654991,319.019989013672,0.442802906036377,34.9693794250488,2.34375,0.0278198234736919,6.0,2.44948983192444,102.967315673828,0.0,-0.369500011205673,11.9985771179199,0.00757827935740352,0.5,103.110595703125,0.591772377490997,1.78999996185303,61.6387786865234,0.259270310401917,1.0,3.87255811691284,1.56066012382507,0.0,-0.154989928007126,17.2716903686523,0.0,-0.0375853888690472,0.0,1.0,0.75,0.333333333333333,370.269592285156,0.0,0.172239571809769,0.0,14.8672761917114,0.164992839097977,0.9314,0.0,-0.106648869812489,1.0,8.78575325012207,-0.0220172274857759,0.0,0.0,32.1301002502441,0.75,0.0825010687112808,276.364044189453,1.0,30.4498615264893,-0.0363313965499401,2.0,165.208450317383,0.25,0.10469239205122,0.0,10.3794937133789,38.0,1.06066012382507,5.4026575088501,0.556155681610107,1.55622899532318,0.637000024318695,0.0,0.400891870260239,7.0,0.0,0.0,2.34375,0.0,36.0907859802246,0.0,0.0,0.0,0.0,6.0,0.0,179.631057739258,-21.5748138427734,6.25521373748779,0.0,0.584441304206848,223.034729003906,33.6194,2.82743334770203,2.20710682868958,-5.23193836212158,3.92310404777527,0.0,0.5,24.4024906158447,0.66730785369873,4.54182052612305,0.0,0.0,0.0,0.0,0.401517361402512,1.46155202388763,0.10148011893034,1.20267558097839,0.136530250310898,0.0
InChI%3D1S%2FC9H9ClO3%2Fc1-6%289%2811%2912%2913-8-4-2-3-7%2810%295-8%2Fh2-6H%2C1H3%2C%28H%2C11%2C12%29,0.359264522790909,0.28332856297493,9.05056571960449,2.0,2.40685200691223,6.0,191.548995018005,0.759451448917389,0.0945765152573586,0.0,0.276045292615891,1.0636088848114,23.0361614227295,-0.33412167429924,1.6389467716217,218.933364868164,634.539489746094,1.42160534858704,16.2801055908203,-266.375061035156,691.6591796875,1.72605586051941,6.34801006317139,23.6704959869385,-34.2573738098145,857.682006835938,21.7807807922363,733.721923828125,16.8799991607666,0.0,3.0,0.481345683336258,0.491895735263824,328.040008544922,0.585650742053986,34.9688529968262,5.0242214532872,0.0345264449715614,3.7037037037037,0.854574024677277,524.53466796875,1.70914804935455,0.825600028038025,11.9886016845703,0.240548580884933,0.428571432828903,85.767951965332,0.618890106678009,2.00999999046326,104.353408813477,0.51865428686142,1.0,6.15204954147339,1.0618349313736,46.5299987792969,-0.631043910980225,13.1328630447388,0.0,-0.0811558961868286,0.235702261328697,0.75,2.57175087928772,0.230769230769231,320.578186035156,1.87254202365875,0.181087762117386,0.0,18.8990497589111,0.38379779458046,0.857199999999999,0.553838074207306,-0.153553768992424,3.53277564048767,8.65615940093994,-0.150664940476418,6.28519821166992,0.0,53.0596008300781,1.92735350131989,0.123567394912243,203.184722900391,1.82243645191193,39.0154571533203,0.0386367365717888,3.0,247.213775634766,2.34208154678345,0.117518499493599,1.0,14.5742378234863,144.0,0.550152063369751,3.92936563491821,0.439611256122589,0.541674971580505,1.54100000858307,0.0,0.525110840797424,6.0,49.36,2.0,5.02422142028809,0.0833333358168602,92.4157409667969,0.0,7.0,0.5,0.0,3.70370364189148,0.142258897423744,-15.7486400604248,-112.441734313965,7.78435516357422,0.0277777779847383,0.273010402917862,513.588806152344,47.2355,101.539909362793,0.427579373121262,-14.4606580734253,4.12189674377441,0.666666686534882,0.0,48.8316116333008,0.735978245735168,2.99212765693665,0.0428372696042061,1.0,0.0215165745466948,1.0,0.36310401558876,1.6918066740036,0.236988395452499,0.975118100643158,0.681615352630615,0.564120888710022
InChI%3D1S%2FC12H15NO3%2Fc1-12%282%297-8-5-4-6-9%2810%288%2916-12%2915-11%2814%2913-3%2Fh4-6H%2C7H2%2C1-3H3%2C%28H%2C13%2C14%29,0.283414870500565,0.60541707277298,9.99067115783691,4.0,3.14734530448914,5.0,206.135994911194,0.775376260280609,0.323538035154343,,0.155559614300728,1.41740894317627,18.6833953857422,-0.357960015535355,3.17084527015686,131.252883911133,902.191467285156,1.56163215637207,18.9928302764893,-183.823028564453,1052.16345214844,1.47134637832642,5.40241718292236,29.2060451507568,-23.9965782165527,1517.44091796875,25.2652988433838,1305.22058105469,21.6570148468018,0.333333343267441,2.0,0.712164282798767,0.90988177061081,784.039978027344,0.997404396533966,15.9983062744141,4.704,0.0419087782502174,2.83111111111111,2.70229744911194,1047.15185546875,3.10280632972717,1.31060004234314,11.996711730957,0.224623754620552,0.5,148.08415222168,0.656403005123138,2.33999991416931,207.395660400391,0.287835687398911,0.0,8.71431732177734,1.96519804000854,51.0499992370605,-0.403121292591095,21.5501041412354,0.0,-0.0526241548359394,0.136082768440247,1.0,4.44936418533325,0.117647058823529,353.571044921875,3.6977527141571,0.317380607128143,1.0,29.2820472717285,0.422109037637711,2.3227,1.52478992938995,-0.309886932373047,3.14734530448914,9.2446813583374,0.124199606478214,6.85405731201172,,63.7770004272461,2.73729491233826,0.0409429334104061,324.746429443359,4.53355503082275,63.5532569885254,-0.165384143590927,2.0,454.815704345703,6.39498090744019,0.141873240470886,,19.1103744506836,208.0,1.08976674079895,4.74211311340332,0.425356298685074,1.63325119018555,2.06800007820129,0.0833333358168602,1.84952402114868,5.0,51.05,2.0,4.7039999961853,0.341746121644974,59.8512229919434,0.0360843911767006,11.0,0.0,,2.83111119270325,0.58547580242157,193.493560791016,-83.8231735229492,9.65008163452148,0.135100573301315,0.240300014615059,638.638732910156,61.4688,102.428276062012,1.09919619560242,-10.9424228668213,5.16204738616943,0.63245552778244,0.144337564706802,43.1069526672363,0.624947071075439,4.39117097854614,0.190714806318283,,0.0328614637255669,,0.479872852563858,2.44751119613647,0.202323764562607,1.81172013282776,1.71767234802246,1.22671377658844
InChI%3D1S%2FC16H17NO%2Fc1-17%282%2916%2818%2915%2813-9-5-3-6-10-13%2914-11-7-4-8-12-14%2Fh3-12%2C15H%2C1-2H3,0.214124411344528,0.662008166313171,12.2269201278687,2.0,4.24264049530029,10.0,222.181994438171,0.945699512958527,0.376480937004089,0.0,0.0921530053019524,1.83177411556244,19.1344566345215,-0.279361307621002,4.81717586517334,200.030288696289,1192.95935058594,1.40282487869263,19.8306484222412,-241.233200073242,1365.228515625,5.01873254776001,5.57797002792358,26.0517425537109,-16.7224960327148,1817.49609375,27.660737991333,1875.41162109375,27.9931087493896,0.0,4.0,0.633173584938049,0.535841584205627,990.02001953125,0.763596832752228,15.9949188232422,6.9632,0.034949254244566,3.75,3.47665739059448,1727.71813964844,2.55577230453491,1.84070003032684,11.8500003814697,0.0543005056679249,0.5,188.275192260742,0.423344761133194,3.0,227.056747436523,0.366826415061951,0.0,10.3922176361084,0.970227897167206,20.3099994659424,-0.442386567592621,21.522518157959,0.0,-0.030666621401906,0.367711216211319,1.0,4.72607946395874,0.210526315789474,515.689514160156,3.88240218162537,0.393981158733368,0.0,45.91162109375,0.207722350955009,2.9067,1.43432748317719,-0.12873138487339,13.9952611923218,11.5166311264038,0.0487277060747147,14.2708406448364,0.0,81.9279022216797,2.47874140739441,-0.024456487968564,345.269287109375,3.66945195198059,107.358428955078,0.00293182791210711,4.0,416.389007568359,5.67989349365234,0.14981484413147,0.0,19.0578136444092,231.0,1.02157700061798,5.60958337783813,0.407899677753448,1.30304384231567,2.65599989891052,0.0,1.68163049221039,6.0,20.31,2.0,6.96320009231567,0.20412415266037,109.07642364502,0.0,6.0,0.0,0.0,3.75,0.117851130664349,145.238998413086,-131.544357299805,10.7063150405884,0.0641500279307365,0.231572359800339,657.622192382812,73.421,29.6100425720215,0.540930271148682,-9.11876964569092,6.00955057144165,0.0,0.0,35.7803077697754,0.681207716464996,4.48704481124878,0.0370370373129845,0.0,0.113993309438229,1.0,0.571580469608307,2.95353531837463,0.17748561501503,2.02678084373474,3.38817644119263,1.42042076587677
InChI%3D1S%2FC9H13N%2Fc1-8%2810%297-9-5-3-2-4-6-9%2Fh2-6%2C8H%2C7%2C10H2%2C1H3,0.0901185944676399,0.214650183916092,7.96642971038818,0.0,0.5,5.0,122.105997085571,0.956146478652954,0.097739204764366,0.0,0.29673632979393,0.710642039775848,10.3599882125854,-0.327222406864166,1.44840562343597,81.2176666259766,518.048767089844,1.40159749984741,10.1661853790283,-59.8702926635742,547.326354980469,6.88931226730347,5.80738162994385,12.3323707580566,-8.89732933044434,637.277465820312,9.16618537902832,488.340484619141,7.33237028121948,0.0,2.0,0.770531535148621,3.74023604393005,439.010009765625,0.56800389289856,14.0030784606934,4.0,0.0423152893781662,3.11111111111111,1.46086823940277,331.228759765625,1.15470051765442,0.521200001239777,11.8500003814697,0.0438534989953041,0.5,96.5262603759766,0.537752628326416,2.33999991416931,71.1551513671875,0.229468435049057,0.0,5.30093383789062,0.61237245798111,26.0200004577637,-0.169154614210129,13.5516910552979,0.0,-0.0251380819827318,0.0,1.0,2.08950853347778,0.2,338.416839599609,1.45456779003143,0.181813657283783,0.0,13.5677127838135,0.0299612805247307,0.8595,0.319035589694977,-0.00714539038017392,7.73231601715088,8.71650695800781,-0.0102679599076509,5.63817358016968,0.0,48.119800567627,0.642228543758392,0.0014676081482321,272.720611572266,1.04188847541809,27.5116672515869,0.000889695598743856,2.0,201.038314819336,1.09341299533844,0.0892045870423317,0.0,14.9770002365112,92.0,0.321975260972977,5.5550389289856,0.469967782497406,0.439826399087906,1.56599998474121,0.0,0.377862244844437,4.0,27.64,1.0,4.0,0.102062076330185,28.7460403442383,0.0,6.0,0.0,0.0,3.11111116409302,0.0721687823534012,191.502944946289,-21.1903877258301,6.24855852127075,0.0320750139653683,0.443858057260513,260.908599853516,44.6301,15.5214309692383,0.353553384542465,-3.14910531044006,3.58316898345947,0.0,0.0,23.8743305206299,0.765105187892914,2.66700649261475,0.0226804614067078,0.0,0.0,0.0,0.393877029418945,1.40050220489502,0.160715565085411,0.985878348350525,0.271649450063705,0.564235091209412
InChI%3D1S%2FC31H42O2%2Fc1-24%2814-9-10-15-25%282%2918-12-19-28%285%2930%2832%2933-8%2916-11-17-26%283%2921-22-29-27%284%2920-13-23-31%2829%2C6%297%2Fh9-12%2C14-19%2C21-22H%2C13%2C20%2C23H2%2C1-8H3,0.288710474967957,1.41013729572296,21.4402275085449,2.0,3.01175236701965,12.0,404.338989257812,0.911042511463165,0.529545068740845,0.0,0.129345059394836,3.47473502159119,34.5489387512207,-0.315497189760208,7.12116670608521,236.249969482422,2321.62646484375,1.35441744327545,33.9962768554688,-471.144805908203,2520.07885742188,3.06707215309143,10.8443250656128,44.4386520385742,-27.6246452331543,3157.11083984375,45.6604614257812,3101.64038085938,38.6641845703125,0.0,10.0,0.723082184791565,0.95574027299881,4569.02001953125,1.44201683998108,15.9959306716919,16.6316928069227,0.0290008224546909,13.0375735626981,16.7392387390137,2660.9443359375,8.3827018737793,7.00880002975464,11.8900003433228,0.0889574885368347,0.5,526.295227050781,0.423373430967331,4.65000009536743,1049.57165527344,0.276917785406113,0.0,21.1082439422607,2.74146008491516,26.2999992370605,-0.552247166633606,48.7886924743652,0.0,-0.0323799252510071,0.534517824649811,1.0,6.88434457778931,0.303030303030303,777.247863769531,4.19538545608521,0.332140445709229,0.0,139.649566650391,0.286501944065094,8.696,1.74521541595459,-0.205071851611137,19.1707859039307,11.4060335159302,0.116259053349495,18.6885356903076,0.0,151.312805175781,4.92043304443359,-0.0611844472587109,616.891174316406,6.3897385597229,429.423614501953,0.00548312906175852,10.0,1230.24389648438,6.55721378326416,0.162066146731377,1.0,24.7417945861816,1141.0,2.71184825897217,4.48968553543091,0.389300644397736,3.53364133834839,9.92399978637695,0.0,3.44261074066162,24.0,26.3,2.0,16.6316928863525,0.0589255653321743,201.554565429688,0.0,21.0,0.0,0.0,13.0375738143921,0.218443363904953,380.641204833984,-401.953002929688,21.8660202026367,0.0441941730678082,0.158144548535347,1701.388671875,143.936,75.8932952880859,1.89205646514893,-23.5677223205566,11.7496709823608,0.5,0.176776692271233,52.3664398193359,0.676844000816345,9.44122123718262,0.158098042011261,0.0,0.249318152666092,1.0,0.541743397712708,5.81564903259277,0.144716680049896,3.73140048980713,49.1232757568359,1.98293280601501
InChI%3D1S%2FC7H5NO3S%2Fc9-7-5-3-1-2-4-6%285%2912%2810%2C11%298-7%2Fh1-4H%2C%28H%2C8%2C9%29,0.285629063844681,0.430215120315552,6.61931705474854,4.0,2.38110160827637,5.0,178.14799785614,0.805465161800385,0.219275966286659,0.0,0.157788142561913,0.182308554649353,20.8111476898193,-0.343721181154251,2.83796977996826,209.633483886719,851.110656738281,1.26548099517822,22.3943252563477,-227.79817199707,1011.07263183594,11.7994890213013,3.59903860092163,28.7728691101074,-37.7556037902832,1511.94177246094,26.8850765228271,1207.29064941406,17.5436458587646,0.0,0.0,0.4298095703125,0.369884043931961,192.050003051758,0.467052459716797,31.9720706939697,2.75,0.0483357645571232,1.33136094674556,0.0,650.422912597656,0.0,-0.391999989748001,11.8500003814697,0.194534838199615,0.400000005960464,58.0975074768066,0.59532105922699,1.67999994754791,63.1316413879395,0.5701904296875,0.0,6.53356218338013,1.54011297225952,71.620002746582,-0.619597315788269,13.262035369873,0.0,-0.102692969143391,0.428855359554291,0.666666686534882,3.94350004196167,0.0,296.133453369141,2.81080460548401,0.428740590810776,1.0,11.3874855041504,0.272041648626328,1.2099,0.844240128993988,-0.165845021605492,3.96540641784668,11.0832548141479,0.149628207087517,5.55315780639648,0.0,45.9813995361328,2.80213809013367,-0.182315424084663,158.021713256836,4.93283939361572,19.8688945770264,0.0627093464136124,0.0,171.714263916016,6.51542568206787,0.0275418981909752,0.0,17.7708950042725,105.0,1.03281950950623,5.6937141418457,0.55251282453537,1.45228886604309,-0.0860000029206276,0.0680413842201233,1.43801152706146,0.0,75.11,4.0,2.75,0.383682519197464,77.0728378295898,0.048472922295332,12.0,0.94494080543518,0.0,1.33136093616486,0.684640526771545,-51.6117630004883,-83.7511825561523,6.38743495941162,0.145005211234093,0.3162781894207,399.512451171875,40.029,71.5217437744141,0.542526960372925,-13.8810434341431,4.05389451980591,0.0,0.0323152802884579,55.526496887207,0.659144639968872,3.26986527442932,0.182958841323853,1.0,0.11712346971035,2.0,0.117647103965282,2.35721158981323,0.262807488441467,1.71350407600403,0.153663992881775,0.994844377040863
InChI%3D1S%2FC8H6Cl2O3%2Fc1-13-7-5%2810%293-2-4%289%296%287%298%2811%2912%2Fh2-3H%2C1H3%2C%28H%2C11%2C12%29,0.314170777797699,0.244910433888435,7.19337558746338,2.0,6.08364343643188,5.0,214.99099445343,0.742674887180328,0.100036710500717,0.0,0.14687617123127,0.473651200532913,30.7489147186279,-0.346962630748749,2.91321849822998,232.980102539062,765.266784667969,1.30219960212708,18.2318420410156,-292.912872314453,872.808410644531,2.67050671577454,3.80650591850281,27.9097862243652,-42.1856842041016,1178.14831542969,35.0153160095215,1164.56408691406,37.8123054504395,0.0,2.0,0.443747580051422,0.443143755197525,205.050003051758,0.557899057865143,34.9698524475098,4.48148148148148,0.0362736769020557,2.26843100189036,0.447213590145111,794.781677246094,1.61098504066467,1.20679998397827,11.9962921142578,0.257325112819672,0.400000005960464,77.844841003418,0.50636613368988,1.78999996185303,97.8699798583984,0.556252419948578,2.0,6.36334419250488,1.05193173885345,46.5299987792969,-0.699345111846924,10.2732419967651,0.0,-0.100720569491386,0.331264495849609,0.666666686534882,3.55964088439941,0.153846153846154,311.061065673828,2.40202164649963,0.404986292123795,0.0,14.2719888687134,0.414149522781372,1.3655,0.480059146881104,-0.179846987128258,1.0,9.91376113891602,0.0126771638169885,4.74510288238525,0.0,53.0308990478516,2.37329196929932,-0.167819365859032,185.85871887207,4.11451005935669,26.7177696228027,0.161904260516167,2.0,233.669799804688,5.51226091384888,0.0658454746007919,1.0,15.1928234100342,107.0,0.953509449958801,4.54649305343628,0.503972232341766,1.27276432514191,1.74300003051758,0.0,1.48338282108307,2.0,49.36,2.0,4.48148155212402,0.0555555559694767,97.5811080932617,0.0,10.0,0.5,0.0,2.26843094825745,0.182469829916954,-47.1213874816895,-122.683288574219,8.18619728088379,0.020833333954215,0.274989813566208,526.582702636719,48.031,107.777755737305,0.486501425504684,-17.669002532959,4.08468055725098,0.5,0.0,57.3785095214844,0.77512526512146,3.05700969696045,0.0661673992872238,1.0,0.0984921529889107,1.0,0.291861206293106,2.08938550949097,0.234850436449051,1.39634561538696,1.4563661813736,0.856650769710541
InChI%3D1S%2FC17H27NO3S%2Fc1-3-6-14%2818-21-4-2%2917-15%2819%299-13%2810-16%2817%2920%2912-7-5-8-22-11-12%2Fh12-13%2C18H%2C3-11H2%2C1-2H3,0.168947696685791,1.98993325233459,17.0114765167236,5.0,7.13593721389771,3.0,298.257994651794,0.87284255027771,1.34679663181305,0.0,0.282655417919159,1.95862054824829,30.8111476898193,-0.297542214393616,2.97118258476257,146.246429443359,1601.94946289062,1.5616409778595,28.0554981231689,-225.934707641602,1829.66186523438,2.15802073478699,12.0816736221313,35.8306770324707,-31.4097785949707,2444.97412109375,39.6610488891602,2567.93286132812,42.7083549499512,0.0,6.0,0.754053950309753,0.327732145786285,2038.05004882812,1.1649307012558,31.9725723266602,9.33333333333333,0.0265322737395763,4.99671268902038,3.05166077613831,2340.74169921875,2.15865564346313,-0.866299986839294,11.9985370635986,0.127157434821129,0.5,266.620330810547,0.577709317207336,2.77999997138977,411.899169921875,0.245946049690247,0.0,9.38134956359863,1.08251559734344,,-0.37995970249176,34.9685897827148,0.0,-0.0528225637972355,0.296023726463318,1.0,6.21246337890625,0.260869565217391,519.016723632812,4.68354272842407,0.17465752363205,0.0,65.3796920776367,0.385847330093384,3.2731,2.0134174823761,-0.0798235014081001,8.3165111541748,10.9640026092529,-0.050405390560627,16.4871616363525,0.0,86.5752029418945,2.68069767951965,-0.134456500411034,448.381652832031,4.97807788848877,152.699493408203,-0.0170368682593107,6.0,692.700500488281,6.81432247161865,0.115135245025158,1.0,15.7768354415894,403.0,1.58955371379852,4.9214653968811,0.503627300262451,2.61138033866882,3.97699999809265,0.0,3.32676243782043,8.0,80.7,2.0,9.33333301544189,0.157617628574371,86.9622344970703,0.0,8.0,0.25,1.0,4.99671268463135,0.234186708927155,302.135223388672,-134.347122192383,14.4681510925293,0.212861090898514,0.192325428128242,918.63525390625,89.4827,75.6113891601562,0.628559231758118,-18.6771373748779,9.57429885864258,0.400000005960464,0.0,47.1866149902344,0.747515738010406,7.28036165237427,0.170400381088257,0.0,0.141514807939529,2.0,0.480304330587387,5.69771766662598,0.108553983271122,4.63077735900879,0.750475704669952,3.5913724899292
InChI%3D1S%2FC4H4N2O2%2Fc7-3-1-2-4%288%296-5-3%2Fh1-2H%2C%28H%2C5%2C7%29%28H%2C6%2C8%29,0.187503814697266,0.0298142395913601,4.79052114486694,4.0,0.333333343267441,2.0,108.055997848511,0.512513279914856,0.0,0.0,0.280135333538055,7.09182579328171e-09,10.2689142227173,-0.344446092844009,1.4043550491333,168.543472290039,256.398010253906,1.31542420387268,9.35654258728027,-159.280990600586,272.112457275391,12.8647203445435,3.38616585731506,12.4358568191528,-36.7469749450684,321.285400390625,9.10348606109619,212.157257080078,2.66418385505676,0.0,0.0,0.462079167366028,9.5008897781372,88.0400009155273,0.436685115098953,15.9959192276001,2.52,0.0726942121982574,1.8,0.0,53.5209732055664,0.0,0.0912000015377998,11.9989995956421,0.487486749887466,0.400000005960464,45.3631858825684,0.506674468517303,1.46000003814697,42.8702049255371,0.537920832633972,0.0,7.13652801513672,0.577350258827209,,-0.508358836174011,5.69282817840576,1.0,-0.117281094193459,0.0,0.666666686534882,1.4267463684082,0.0,160.582672119141,1.30473780632019,0.293152868747711,0.0,4.75537919998169,0.198094815015793,-0.1122,0.0,-0.0912953838706017,1.0,6.34719038009644,-0.0210751444101334,2.82842707633972,0.0,27.1212005615234,0.81649661064148,0.0631899237632751,144.780456542969,0.760079681873322,9.54590034484863,-0.0779722630977631,0.0,136.82389831543,1.13807117938995,1.48038714620213e-09,0.0,22.7768363952637,58.0,0.118306443095207,4.37246894836426,0.534305214881897,0.088967464864254,0.88400000333786,0.0,0.0860826075077057,0.0,66.24,2.0,2.51999998092651,0.0833333358168602,52.8087043762207,0.0,8.0,0.200000002980232,0.0,1.79999995231628,0.16666667163372,-23.7630157470703,-49.9065475463867,3.94355487823486,0.0166666675359011,0.363418102264404,296.104888916016,25.3616,152.741271972656,0.115470051765442,-11.5137071609497,2.00511074066162,0.0,0.0,59.523811340332,0.529770731925964,1.24973106384277,0.01490711979568,2.0,0.0,0.0,0.274444580078125,0.6363884806633,0.232274770736694,0.31819424033165,0.00831743981689215,0.185819894075394
InChI%3D1S%2FC14H19NO%2Fc1-5-16-11-6-7-13-12%288-11%2910%282%299-14%283%2C4%2915-13%2Fh6-9%2C15H%2C5H2%2C1-4H3,,0.802255868911743,14.3892202377319,2.0,3.30192732810974,6.0,198.159995079041,0.963168561458588,0.429923564195633,0.0,0.330481976270676,0.7037712931633,17.1344566345215,,2.54853844642639,115.769309997559,1111.56408691406,1.12657070159912,17.9965553283691,-105.20401763916,1295.2197265625,4.13829708099365,11.1369104385376,26.8272018432617,-9.08004856109619,1856.58715820312,25.1627388000488,1763.73461914062,21.9965553283691,0.0,2.0,0.776711523532867,0.538218200206757,985.02001953125,0.705827653408051,,4.704,0.0291043408215046,2.83111111111111,5.01582050323486,1356.21643066406,4.5214262008667,1.28649997711182,,0.0368314422667027,0.444444447755814,208.792129516602,0.506153404712677,2.77999997138977,189.737426757812,0.22328844666481,0.0,7.8236985206604,1.94968259334564,,-0.202910795807838,22.9137268066406,0.0,-0.0175130181014538,0.164266422390938,0.800000011920929,4.79595565795898,0.117647058823529,499.378082275391,3.64696288108826,0.177114427089691,1.0,38.0142707824707,0.221784844994545,3.8307,1.68680465221405,-0.0921007469296455,3.24283146858215,,-0.0378637462854385,9.20227718353271,0.0,43.2781982421875,2.73131132125854,0.0082508884370327,402.704925537109,4.94963073730469,72.3785171508789,-0.0330193378031254,2.0,365.953430175781,6.79439353942871,0.0489096194505692,1.0,15.0898504257202,223.0,1.29027354717255,,0.358752816915512,2.10364699363708,3.07800006866455,0.0,2.38561940193176,3.0,21.26,1.0,4.7039999961853,0.116153903305531,60.0234031677246,0.0,11.0,0.0,0.0,2.83111119270325,0.347887694835663,286.935607910156,-54.5455741882324,10.4247560501099,0.0420984588563442,0.380395710468292,471.157470703125,65.5829,19.096155166626,1.18406677246094,-4.70777130126953,5.76529026031494,0.0,0.144337564706802,24.1698989868164,0.804174184799194,4.81444072723389,0.108837112784386,0.0,0.0625,0.0,0.26166445016861,2.76106548309326,0.0838930830359459,2.21726036071777,1.65508222579956,1.34949052333832
InChI%3D1S%2FC12H9ClF3N3O%2Fc1-17-9-6-18-19%2811%2820%2910%289%2913%298-4-2-3-7%285-8%2912%2814%2C15%2916%2Fh2-6%2C17H%2C1H3,0.436829030513763,0.754760503768921,13.2143411636353,3.0,3.92513632774353,5.0,294.598992347717,0.848232746124268,0.464842200279236,0.0,0.296089828014374,0.776375293731689,34.0733184814453,-0.313314467668533,2.81634283065796,335.917633056641,1183.64111328125,1.41083264350891,26.2200984954834,-615.738342285156,1387.61462402344,1.46955287456512,9.62162303924561,43.5361862182617,-52.5496788024902,1940.05639648438,48.9999122619629,1992.6435546875,40.5771141052246,0.0,3.0,0.479292154312134,0.0,776.080017089844,0.878544330596924,34.9688529968262,6.40582726326743,0.0399186946451664,3.62130177514793,0.783501863479614,1578.6201171875,1.22089838981628,1.03419995307922,11.9974241256714,0.151767283678055,0.5,199.470062255859,0.585913896560669,1.89999997615814,365.62939453125,0.520707845687866,4.0,16.6132164001465,2.36467933654785,,-0.954459428787231,21.1786918640137,0.333333343267441,-0.0814575552940369,0.786957681179047,1.0,5.39546060562134,0.142857142857143,547.209594726562,4.07628583908081,0.213127762079239,0.0,36.7543182373047,0.594916343688965,2.9464,2.02689647674561,-0.272082686424255,3.92513632774353,10.2286138534546,-0.108447074890137,8.69380855560303,0.0,72.2846984863281,4.44852209091187,0.0903846770524979,309.199676513672,6.05244159698486,71.006706237793,-0.00165700307115912,3.0,566.76416015625,7.99207496643066,0.0587524808943272,0.0,25.7522411346436,317.0,1.52401638031006,3.6351203918457,0.50235903263092,1.81097424030304,1.35099995136261,0.0,1.92012345790863,3.0,46.92,4.0,6.40582704544067,0.138888895511627,216.706283569336,0.0,10.0,0.0,0.0,3.62130188941956,0.272249013185501,-26.7179698944092,-397.223449707031,11.2944574356079,0.0541300922632217,0.170876055955887,1182.50244140625,69.3927,97.9076995849609,0.707448959350586,-33.900707244873,6.34039735794067,0.0,0.0134987309575081,78.3019180297852,0.694987177848816,4.85109949111938,0.0933028012514114,0.0,0.168842926621437,1.0,0.322559714317322,3.57219219207764,0.227331206202507,2.26736545562744,1.06956958770752,1.37162125110626
InChI%3D1S%2FC15H17Cl2N3O2%2Fc1-2-3-12-7-21-15%2822-12%2C8-20-10-18-9-19-20%2913-5-4-11%2816%296-14%2813%2917%2Fh4-6%2C9-10%2C12H%2C2-3%2C7-8H2%2C1H3,0.212457984685898,1.43963015079498,15.478063583374,4.0,2.18224716186523,5.0,325.089992523193,0.945452988147736,0.828609704971313,0.0,0.185008227825165,1.47196698188782,40.0544090270996,-0.341871798038483,5.02864980697632,182.873168945312,1584.39526367188,1.29090845584869,30.4227561950684,-353.505950927734,1869.89819335938,0.905698299407959,8.97744655609131,46.2907791137695,-25.5746173858643,2677.78686523438,45.3567276000977,2576.9951171875,59.1927146911621,0.5,5.0,0.688163638114929,0.0,1563.06994628906,1.33026599884033,34.970157623291,7.26643598615917,0.0391855947673321,3.75308641975309,1.84706079959869,2571.51806640625,0.689297556877136,0.288500010967255,11.9985160827637,0.0545470081269741,0.5,236.667282104492,0.460256487131119,2.33999991416931,457.493560791016,0.311836361885071,2.0,13.4763698577881,1.66026616096497,,-0.602800369262695,29.6093463897705,0.5,-0.043609980493784,0.260110020637512,1.0,6.96333885192871,0.208333333333333,554.450988769531,4.74748420715332,0.324888825416565,0.0,65.7609405517578,0.54921168088913,3.6534,2.51125693321228,-0.318835407495499,8.59684944152832,11.5690422058105,-0.0384028926491737,11.1509618759155,0.0,87.2169036865234,3.5301513671875,0.102309867739677,403.566375732422,6.55422782897949,147.690124511719,-0.000936301541514695,5.0,780.12060546875,8.4313440322876,0.0951002091169357,2.0,22.9799823760986,354.0,1.63130581378937,5.31248760223389,0.384029179811478,2.62685322761536,1.83299994468689,0.246399641036987,2.93938231468201,3.0,49.17,5.0,7.2664361000061,0.373366594314575,107.24405670166,0.0899223908782005,6.0,0.0,0.0,3.75308632850647,0.523883938789368,220.693206787109,-207.309875488281,14.0835390090942,0.128707602620125,0.176680400967598,1133.62658691406,83.895,31.9885234832764,0.899398744106293,-14.9979667663574,8.34843254089355,0.0,0.0294627826660872,48.5545997619629,0.714452743530273,6.50120544433594,0.173508182168007,0.0,0.100940354168415,0.0,0.446622848510742,4.4887170791626,0.109845764935017,3.46676063537598,0.0832322463393211,2.03283381462097
InChI%3D1S%2FC17H16Cl2O3%2Fc1-11%282%2922-16%2820%2917%2821%2C12-3-7-14%2818%298-4-12%2913-5-9-15%2819%2910-6-13%2Fh3-11%2C21H%2C1-2H3,0.303271055221558,0.989488005638123,13.222806930542,3.0,3.91424512863159,10.0,323.089991569519,0.898008167743683,0.515265464782715,0.0,0.1146190315485,1.618283867836,39.7489128112793,-0.371005326509476,5.17614030838013,279.055786132812,1536.28918457031,1.22569036483765,28.2318420410156,-458.666717529297,1787.08056640625,3.34849119186401,6.42838287353516,43.906063079834,-33.9743385314941,2507.5107421875,48.3447151184082,2666.365234375,43.8848533630371,0.0,5.0,0.533559560775757,0.0,1059.05004882812,0.876978814601898,34.969856262207,7.71349862258953,0.0321253873407841,4.30839002267574,2.46885371208191,2432.45239257812,2.92173647880554,2.36890006065369,11.8500003814697,0.101991854608059,0.5,190.973297119141,0.423790752887726,2.77999997138977,313.890960693359,0.466440439224243,2.0,11.4984178543091,2.07462286949158,46.5299987792969,-0.766659200191498,21.2053127288818,0.0,-0.056787945330143,0.733301997184753,1.0,5.86328792572021,0.217391304347826,537.248413085938,4.49943161010742,0.391455501317978,0.0,52.0536231994629,0.423472315073013,4.1809,1.9277560710907,-0.185796201229095,8.69190216064453,11.9218816757202,-0.103609539568424,15.5898456573486,0.0,95.258399963379,4.58840990066528,0.134018659591675,319.2109375,6.98256731033325,119.123542785645,0.0234984494745731,5.0,524.667236328125,9.56938934326172,0.122385799884796,1.0,19.2195491790771,337.0,1.61715066432953,5.47857570648193,0.383621096611023,1.91883623600006,2.28099989891052,0.0,2.21772146224976,8.0,46.53,3.0,7.71349859237671,0.16666667163372,166.949798583984,0.0,6.0,0.333333343267441,0.0,4.30839014053345,0.25,40.1551513671875,-274.405029296875,13.7276496887207,0.0555555559694767,0.225677773356438,983.333984375,87.1308,61.0183372497559,1.05220520496368,-20.3257160186768,7.54888582229614,0.81649661064148,0.0279508493840694,53.1938896179199,0.707413196563721,6.05113124847412,0.0907718539237976,1.0,0.145252838730812,1.0,0.418278574943542,3.66609668731689,0.1844652146101,2.33588099479675,5.61168718338013,1.64509081840515
InChI%3D1S%2FC14H20ClNO2%2Fc1-4-11-7-6-8-12%285-2%2914%2811%2916%2810-18-3%2913%2817%299-15%2Fh6-8H%2C4-5%2C9-10H2%2C1-3H3,0.229815870523453,0.801738023757935,10.3749160766602,3.0,3.30192732810974,4.0,249.611993789673,0.9130859375,0.354189842939377,,0.0955581441521645,2.10049724578857,27.6216793060303,-0.367807745933533,3.49423670768738,150.479797363281,1180.94067382812,1.30557477474213,21.446569442749,-212.503952026367,1337.33093261719,3.54500365257263,4.78018236160278,26.8893165588379,-25.3488616943359,1782.46008300781,35.5335540771484,2004.66821289062,36.8369598388672,0.0,7.0,0.700035214424133,0.0,1138.0400390625,0.98857295513153,34.9693794250488,8.22684310018904,0.0306766927242279,3.99583766909469,5.12322807312012,1867.35388183594,3.27953839302063,1.04059994220734,11.9985179901123,0.0869140326976776,0.428571432828903,176.171569824219,0.525842249393463,2.55999994277954,248.785247802734,0.299964755773544,1.0,7.72012710571289,0.816229462623596,29.5400009155273,-0.423603028059006,27.1381397247314,0.0,-0.0505301393568516,0.252697080373764,0.75,4.55618572235107,0.388888888888889,458.057098388672,3.67804598808289,0.33679661154747,0.0,34.0834846496582,0.433464467525482,2.9871,1.09092390537262,-0.272866606712341,6.41050004959106,11.3913192749023,0.0924912318587303,11.7720756530762,,77.7130966186523,2.43504238128662,-0.09268007427454,351.178436279297,4.17402601242065,79.5431900024414,0.0607315376400948,7.0,495.925750732422,6.2009449005127,0.202459201216698,,15.3892164230347,199.0,1.07702970504761,4.81318712234497,0.483302116394043,1.65428960323334,2.22199988365173,0.0,2.10011291503906,8.0,29.54,3.0,8.22684288024902,0.0680413842201233,75.4894256591797,0.0,9.0,0.0,,3.99583768844604,0.135508760809898,200.698654174805,-106.604354858398,11.9580812454224,0.0240562614053488,0.260415077209473,708.4296875,75.28,43.6011428833008,0.403632521629333,-12.7164649963379,6.6851634979248,0.25,0.0,40.7380752563477,0.773344218730927,4.27240991592407,0.0447789765894413,,0.088229551911354,,0.29643040895462,3.13706588745117,0.162676706910133,2.1685688495636,1.08284831047058,1.4793416261673
InChI%3D1S%2FC13H11Cl2NO2%2Fc1-12-6-13%2812%2C2%2911%2818%2916%2810%2812%2917%299-4-7%2814%293-8%2815%295-9%2Fh3-5H%2C6H2%2C1-2H3,0.297366708517075,1.05126416683197,11.9154348373413,3.0,3.78929138183594,6.0,273.053993225098,0.85963237285614,0.541323840618134,0.0,0.308350443840027,1.03277790546417,35.3344345092773,-0.355410128831863,2.01200580596924,274.012451171875,1334.72875976562,1.53878211975098,25.0662136077881,-313.032989501953,1662.33947753906,8.56387519836426,8.87065029144287,41.242805480957,-39.724967956543,2409.38549804688,42.958797454834,2202.01806640625,43.4339790344238,0.0,1.0,0.468022853136063,0.145820081233978,655.049987792969,0.534671306610107,34.9698524475098,3.76470588235294,0.0184658691287041,1.47635524798155,1.84957933425903,1665.06970214844,2.58640933036804,1.93630003929138,11.9885129928589,0.140367612242699,0.428571432828903,124.171432495117,0.565605700016022,2.33999991416931,141.853973388672,0.531977117061615,2.0,4.89919137954712,2.44306230545044,,-0.607733011245728,16.7612762451172,0.0,-0.0771234109997749,1.09219539165497,0.75,6.22451829910278,0.05,442.782135009766,4.30947589874268,0.168857097625732,0.0,29.0871677398682,0.344547629356384,3.3479,1.57623195648193,-0.163417145609856,1.79389321804047,10.6609010696411,0.133929923176765,8.43566703796387,0.0,72.9450988769531,5.82714796066284,-0.233697444200516,241.070663452148,9.2583703994751,59.435417175293,0.173172414302826,1.0,275.400177001953,13.1276941299438,0.0866756439208984,0.0,9.5114574432373,226.0,3.17748928070068,5.56362962722778,0.53417956829071,3.86199474334717,1.30099999904633,0.487938940525055,4.3005895614624,0.0,37.38,3.0,3.76470589637756,1.03428184986115,141.139175415039,0.425698399543762,11.0,0.25,0.0,1.59933364391327,2.47626256942749,-32.9417762756348,-161.238006591797,11.4706544876099,0.481943398714066,0.244082674384117,588.433166503906,66.5862,72.3009872436523,1.73357236385345,-20.4616603851318,6.40211963653564,0.0,0.176776692271233,49.2364234924316,0.818414568901062,6.28722429275513,0.951298296451569,0.0,0.511588871479034,2.0,0.438996851444244,4.51534080505371,0.193198636174202,3.02415728569031,3.74925780296326,1.74781429767609
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,0.260443121194839,3.05369520187378,6.4887375831604,0.0,5.08567523956299,4.0,368.280990600586,1.0,1.55455756187439,0.0,0.090523049235344,1.56363677978516,70.9892730712891,-0.16647632420063,1.97901463508606,377.4130859375,2293.88208007812,1.21293008327484,32.6621627807617,-434.118286132812,3031.349609375,9.07792949676514,2.94608640670776,73.9405517578125,-53.3482933044434,5338.248046875,144.78271484375,5204.19580078125,118.978088378906,0.0,0.0,0.207333296537399,0.0,304.070007324219,0.238484501838684,34.9749450683594,2.93877551020408,0.0126268286257982,0.900890548692904,0.0,2816.2841796875,0.0,4.0327000617981,11.9985313415527,0.0,0.5,47.0025787353516,0.438950747251511,1.78999996185303,54.0645790100098,0.792666733264923,7.0,2.86250948905945,2.61046195030212,0.0,-0.911762535572052,8.40603542327881,0.0,-0.11204544454813,2.42120456695557,1.0,7.15872097015381,0.0,476.130859375,5.42301988601685,0.304992228746414,0.0,13.5314168930054,0.302197933197021,5.2415,2.03003001213074,-0.00938520021736622,1.0,15.644510269165,-0.0841009095311165,4.47979211807251,0.0,75.8010025024414,8.76909351348877,-0.153267174959183,98.7177734375,15.9072532653809,29.1366996765137,0.0142642995342612,0.0,113.549827575684,26.2001781463623,0.24097703397274,0.0,6.01202249526978,166.0,9.21094512939453,7.45921230316162,0.439946472644806,16.0753898620605,3.54999995231628,0.179558381438255,26.106128692627,0.0,0.0,0.0,2.93877553939819,0.786638617515564,179.698013305664,0.137066692113876,2.0,0.0,0.0,0.900890529155731,2.36799788475037,-278.6953125,-206.69709777832,13.3240051269531,0.685173511505127,0.143333062529564,547.668090820312,76.098,0.0,2.70293641090393,-25.4007682800293,7.55035066604614,0.0,0.324377715587616,59.3603172302246,0.558619022369385,8.28638744354248,2.18948459625244,0.0,2.69271945953369,0.0,0.33403292298317,8.60579872131348,0.199757322669029,6.59653854370117,16.2626686096191,4.82770586013794
InChI%3D1S%2FC9H8Cl2O3%2Fc1-5%289%2812%2913%2914-8-3-2-6%2810%294-7%288%2911%2Fh2-5H%2C1H3%2C%28H%2C12%2C13%29,0.359272480010986,0.359954923391342,8.96114444732666,2.0,3.87917613983154,6.0,227.001994132996,0.779246151447296,0.132234662771225,0.0,0.28691291809082,0.886568069458008,31.7489147186279,-0.334051907062531,1.65943741798401,258.545593261719,776.630920410156,1.23557090759277,19.2318420410156,-331.278259277344,861.397155761719,0.565120100975037,6.41513919830322,29.5739707946777,-42.0757446289062,1109.24572753906,31.6162414550781,1002.97418212891,27.5642414093018,0.0,3.0,0.388594806194305,0.332624971866608,302.049987792969,0.497912287712097,34.9698524475098,5.18559556786704,0.024080790579319,3.59183673469388,0.646330416202545,695.629150390625,1.85053586959839,1.19430005550385,11.9886016845703,0.220753863453865,0.5,69.4885101318359,0.556477844715118,1.89999997615814,89.0366592407227,0.611405193805695,2.0,4.3061261177063,1.26007962226868,46.5299987792969,-0.783402502536774,12.4596557617188,0.0,-0.0995001643896103,0.353553384542465,1.0,2.827956199646,0.214285714285714,329.520660400391,2.205730676651,0.18518140912056,0.0,17.8041839599609,0.414854943752289,1.5106,0.5791956782341,-0.15866807103157,1.65096366405487,9.60191631317139,-0.177628308534622,6.58555555343628,0.0,57.7757987976074,2.51532387733459,0.185659170150757,164.32551574707,2.44182443618774,36.2033081054688,-0.0368339642882347,3.0,210.552719116211,3.46788930892944,0.0989346876740456,1.0,10.1830701828003,168.0,0.849579513072968,3.97564196586609,0.399171143770218,0.92309421300888,2.11800003051758,0.0,1.03878808021545,6.0,49.36,2.0,5.18559551239014,0.0680413842201233,109.331451416016,0.0,7.0,0.5,0.0,3.59183669090271,0.184195280075073,-94.2200622558594,-140.088012695312,8.84089851379395,0.0240562614053488,0.257707685232162,541.830993652344,52.2455,93.3504257202148,0.582126975059509,-17.7926158905029,4.60551023483276,0.666666686534882,0.0,52.2588119506836,0.953249633312225,3.51669716835022,0.0643754005432129,1.0,0.0600924119353294,1.0,0.279921889305115,2.07590556144714,0.225037544965744,1.26468169689178,1.42635250091553,0.750403881072998
InChI%3D1S%2FC2H6N4S2%2Fc3-1%287%295-6-2%284%298%2Fh%28H3%2C3%2C5%2C7%29%28H3%2C4%2C6%2C8%29,0.184833839535713,0.0,5.85551834106445,6.0,0.333333343267441,0.0,144.184001922607,0.833070695400238,0.0,0.0,0.213199496269226,0.80840939283371,21.6954574584961,-0.283420979976654,1.43074464797974,203.569442749023,463.039764404297,1.69790041446686,11.3642997741699,-241.210983276367,444.935516357422,7.2235221862793,3.61636400222778,17.5062026977539,-35.0911560058594,444.795806884766,9.94690418243408,293.127532958984,7.67194080352783,0.0,3.0,0.431073606014252,5.27668619155884,113.059997558594,0.510782420635223,31.973424911499,3.9375,0.0648527890443802,7.2,0.0,228.941986083984,0.0,1.1055999994278,11.9986572265625,0.166929304599762,0.400000005960464,55.1905174255371,0.597913086414337,1.01999998092651,65.3956604003906,0.568926393985748,0.0,8.30312728881836,0.81649661064148,149.360000610352,-0.674125194549561,11.1192417144775,1.0,-0.098071128129959,0.0,0.666666686534882,0.666666686534882,0.428571428571429,298.083801269531,0.666666686534882,0.244341254234314,0.0,9.25422382354736,0.127752795815468,-0.1902,0.0,-0.081574983894825,0.0,8.92097949981689,-0.00648657139390707,0.0,0.0,34.782600402832,0.577350258827209,0.0625286996364594,154.243881225586,0.333333343267441,19.2925281524658,-0.0573898293077946,3.0,182.764755249023,0.666666686534882,0.138059422373772,0.0,23.2051906585693,56.0,0.167705103754997,5.98243761062622,0.564125061035156,0.0838525518774986,1.44000005722046,0.0,0.154426276683807,8.0,149.36,4.0,3.9375,0.0,72.8398590087891,0.0,6.0,0.0,0.0,7.19999980926514,0.0,-49.3255577087402,-86.3085021972656,5.68328142166138,0.0,0.23834852874279,423.975738525391,39.6968,59.7295303344727,0.335410207509995,-12.5560836791992,2.59164071083069,0.0,0.0,58.2963485717773,0.445820510387421,1.84164083003998,0.0,0.0,0.0,0.0,0.53586220741272,0.522910177707672,0.159442588686943,0.230205103754997,1.22235131263733,0.211977556347847
InChI%3D1S%2FC48H81NO17%2Fc1-15-35-32%2823-60-45-42%2859-14%2941%2858-13%2938%2854%2928%285%2961-45%2920-25%282%2916-17-33%2851%2926%283%2921-31%2818-19-50%2939%2827%284%2934%2852%2922-36%2853%2962-35%2966-48%2810%2944%2856%2937%2849%2811%2912%2940%2829%286%2964-48%2965-47%289%2924-46%288%2C57%2943%2855%2930%287%2963-47%2Fh16-17%2C19-20%2C26-32%2C34-35%2C37-45%2C52%2C54-57H%2C15%2C18%2C21-24H2%2C1-14H3,0.264355838298798,4.0680136680603,,17.0,0.0,4.0,862.517977714539,,2.3083975315094,0.0,,,79.5259628295898,-0.392454624176025,,,4781.43408203125,,78.1329498291016,,5630.22021484375,,,120.710205078125,,8122.3515625,148.128128051758,9444.3603515625,161.290588378906,4.57831048965454,13.0,,,18210.1796875,,16.0111293792725,25.0956734847771,,14.5880490700435,16.1263046264648,10029.58203125,35.9142837524414,-2.47729992866516,11.8900003433228,,0.479999989271164,,,4.76000022888184,,,0.0,,7.14507865905762,,,110.647766113281,0.0,,2.01844692230225,0.923076927661896,19.3440189361572,0.188405797101449,,14.743631362915,,0.0,,2.41405749320984,1.1966,6.86442995071411,-1.02771043777466,7.85652256011963,12.1156044006348,-0.511655390262604,33.2530250549316,0.0,239.149795532227,15.0467081069946,0.242509827017784,,24.0956211090088,,0.259362131357193,13.0,,35.5588073730469,,9.0,,2593.0,7.03544282913208,4.04265022277832,,10.2175445556641,1.62100005149841,0.0,12.8930768966675,3.0,239.87,18.0,25.0956726074219,0.126311302185059,,0.0,6.0,2.57018876075745,0.0,14.5880489349365,0.620830178260803,,,41.5266075134277,0.0729258581995964,,,240.8297,,3.93277454376221,,23.4467678070068,7.85780143737793,0.19832518696785,,,19.9492092132568,0.257648050785065,5.0,0.69092470407486,3.0,,14.0400400161743,,10.3356018066406,6.1370153427124,6.7848014831543
InChI%3D1S%2FC13H17NO4%2Fc1-3-7-17-12%2815%2910-5-6-11%2814-9-10%2913%2816%2918-8-4-2%2Fh5-6%2C9H%2C3-4%2C7-8H2%2C1-2H3,0.311906933784485,0.382964849472046,21.3013439178467,5.0,2.40685200691223,3.0,234.145994186401,0.760939240455627,0.19477005302906,0.0,0.394232273101807,1.02443432807922,21.4578647613525,-0.312348306179047,1.97955894470215,183.572525024414,817.49853515625,1.33395159244537,20.3249225616455,-303.644195556641,884.193603515625,1.79815065860748,18.2973518371582,26.0400447845459,-36.8500938415527,1082.75354003906,27.7602214813232,1072.11938476562,23.9298534393311,0.142857149243355,8.0,0.690121591091156,1.24488031864166,919.049987792969,1.14151835441589,15.9979295730591,8.99173553719008,0.0327628515660763,5.68047337278106,2.83364534378052,891.766784667969,1.29867160320282,-1.18079996109009,11.8900003433228,0.239060774445534,0.461538463830948,242.191192626953,0.605973243713379,2.33999991416931,400.604309082031,0.309878408908844,0.0,11.4977912902832,0.804737865924835,,-0.512564599514008,25.6525192260742,0.0,-0.0622045584022999,0.235702261328697,0.857142865657806,3.80665445327759,0.444444444444444,450.781768798828,2.85095953941345,0.0929311737418175,0.0,56.9930458068848,0.642045915126801,2.2152,1.27131330966949,-0.395910680294037,4.98904466629028,8.5560359954834,0.0619498901069164,9.0792064666748,0.0,64.8467025756836,2.04044008255005,0.0142170591279864,408.829254150391,2.58874797821045,115.400100708008,0.10186567902565,8.0,676.237487792969,3.03473854064941,0.0480924732983112,2.0,19.4087715148926,336.0,0.430390179157257,4.57796335220337,0.3956618309021,0.451420277357101,1.22899997234344,0.0,0.458333313465118,6.0,65.49,5.0,8.99173545837402,0.0833333358168602,108.748695373535,0.0,12.0,0.142857149243355,0.0,5.68047332763672,0.096225045621395,225.256729125977,-179.879364013672,10.6406850814819,0.0215165745466948,0.188477098941803,979.881652832031,65.384,141.620025634766,0.231216385960579,-21.8300609588623,5.98922491073608,1.06904494762421,0.0,56.2588653564453,0.761473953723907,3.70395278930664,0.0215165745466948,0.0,0.0246471762657166,2.0,0.332316488027573,2.08288264274597,0.188497796654701,1.1821516752243,1.39428865909576,0.748760044574738
InChI%3D1S%2FC8H10N6%2Fc9-3-5-6%2810%2913-8%2814-7%285%2911%2912-4-1-2-4%2Fh4H%2C1-2H2%2C%28H5%2C10%2C11%2C12%2C13%2C14%29,0.19209398329258,0.368951231241226,9.48985481262207,4.0,4.38093566894531,0.0,180.129997253418,0.705164909362793,0.188490182161331,0.0,0.264864891767502,1.09032297134399,16.1599273681641,-0.382705956697464,1.88487422466278,152.955642700195,766.474060058594,1.29072284698486,16.4956665039062,-252.32795715332,889.276672363281,3.21237993240356,6.51465749740601,20.9632377624512,-37.2046318054199,1091.3017578125,21.6589641571045,1053.43530273438,21.0708179473877,0.0,1.0,0.66524475812912,2.75049519538879,547.059997558594,1.09744143486023,14.0251932144165,4.24489795918367,0.0569386817514896,2.17283950617284,0.0,800.268310546875,0.0,-1.90100002288818,11.9780206680298,0.294835090637207,0.5,138.885757446289,0.571066617965698,1.67999994754791,229.117156982422,0.334755212068558,0.0,11.8873119354248,1.0157356262207,,-0.552239239215851,15.7584838867188,1.5,-0.0814252123236656,0.19245009124279,1.0,3.76251220703125,0.0666666666666667,322.202423095703,2.16770505905151,0.198619931936264,1.0,21.4375133514404,0.36295560002327,-0.66072,0.850607395172119,-0.150970920920372,0.819827675819397,9.22929763793945,0.119083762168884,4.89979791641235,0.0,43.7458000183105,1.94976723194122,-0.367018163204193,303.962219238281,3.41397762298584,44.3157806396484,0.246673852205276,1.0,501.440582275391,3.68028807640076,0.114893533289433,0.0,26.016300201416,178.0,0.62560361623764,4.48631525039673,0.451235264539719,0.734743475914001,-0.363000005483627,0.0,0.678908050060272,2.0,117.6,6.0,4.24489784240723,0.222222223877907,69.8881607055664,0.0,6.0,0.0,0.0,2.53439998626709,0.344829142093658,151.006576538086,-115.293151855469,7.6180419921875,0.0853830575942993,0.190349236130714,753.7685546875,48.7105,134.715423583984,0.436728298664093,-16.9994602203369,4.55460119247437,0.0,0.0,63.2209320068359,0.836702227592468,3.52444648742676,0.0930871739983559,0.0,0.0448895953595638,0.0,0.268420904874802,1.93553447723389,0.114171490073204,1.18822312355042,3.61380100250244,0.659703195095062
InChI%3D1S%2FC42H71NO9%2Fc1-10-27-12-11-13-35%2852-38-17-16-34%2843%285%296%2925%284%2949-38%2924%283%2939%2845%2933-21-31-29%2832%2833%2922-37%2844%2951-27%2915-14-26-19-28%2820-30%2826%2931%2950-36-18-23%282%2940%2846-7%2942%2848-9%2941%2836%2947-8%2Fh23-36%2C38%2C40-42H%2C10-22H2%2C1-9H3,0.278878808021545,6.41000366210938,38.6038131713867,9.0,34.8324012756348,1.0,662.459982872009,0.916762709617615,4.71031808853149,0.0,0.207310363650322,2.18411731719971,59.330207824707,-0.378592997789383,12.8811311721802,169.714172363281,4053.92041015625,1.39353346824646,62.8120269775391,-704.337707519531,4873.24755859375,1.53302812576294,23.5385646820068,92.1873321533203,-34.1785888671875,7144.12158203125,109.175727844238,7900.41064453125,117.448631286621,2.69164729118347,9.0,0.856145024299622,0.0475895963609219,13732.099609375,3.5531222820282,16.0034332275391,18.5077660037741,0.0312185529619455,9.10374554102259,12.9379262924194,8123.552734375,21.8418560028076,-2.57340002059937,11.9966011047363,0.083237312734127,0.5,1191.60876464844,0.544269144535065,4.98000001907349,4945.34423828125,0.14385499060154,0.0,43.4509391784668,3.81543040275574,,-0.597018420696259,94.9256973266602,0.0,-0.028970830142498,1.08385252952576,1.0,17.3329181671143,0.157894736842105,1081.55871582031,13.3954973220825,0.33367508649826,0.0,382.748199462891,1.50054204463959,5.0378,7.71327543258667,-0.788875102996826,13.6295986175537,11.9017601013184,-0.119252011179924,47.6883773803711,0.0,182.957992553711,9.6259937286377,0.304907441139221,1010.04449462891,16.4267921447754,1083.58361816406,-0.143466517329216,9.0,4191.82666015625,22.7113475799561,0.0565777607262135,7.0,36.8303604125977,1859.0,6.30499792098999,5.06748485565186,0.449946880340576,10.1143884658813,5.63000011444092,0.174792468547821,12.975754737854,2.0,103.19,10.0,18.5077667236328,0.562429130077362,200.221771240234,0.174792468547821,3.0,0.16666667163372,0.0,9.10374546051025,1.15940546989441,840.330322265625,-830.948547363281,33.7061424255371,0.498836576938629,0.0910835489630699,4896.16455078125,198.8427,98.1999435424805,2.58977150917053,-40.3224868774414,20.9154663085938,1.70726346969604,0.0,71.0089492797852,0.838832795619965,17.816722869873,0.919857561588287,0.0,0.661710023880005,2.0,0.399317443370819,14.7712125778198,0.0630519837141037,12.1254825592041,6.62238740921021,8.87255191802979
InChI%3D1S%2FC22H23NO3%2Fc1-21%282%2919%2822%2821%2C3%294%2920%2824%2926-18%2814-23%2915-9-8-12-17%2813-15%2925-16-10-6-5-7-11-16%2Fh5-13%2C18-19H%2C1-4H3,0.267379373311996,0.737823605537415,16.48752784729,4.0,4.77054214477539,11.0,326.245991706848,0.832240760326385,0.480643481016159,0.0,0.193207740783691,1.4370139837265,28.6833953857422,-0.310023665428162,5.30731391906738,224.752914428711,1603.03796386719,1.39825856685638,29.8266448974609,-406.093292236328,1894.60546875,2.65700101852417,9.74320030212402,42.5973892211914,-32.9964332580566,2511.3779296875,42.3726615905762,2329.46630859375,40.4799346923828,0.200000002980232,6.0,0.636654138565063,0.362848550081253,1951.0400390625,1.15033423900604,15.9969329833984,8.16326530612245,0.0305496603250504,4.07756232686981,4.30509662628174,2065.29345703125,4.86576175689697,3.03369998931885,11.8900003433228,0.167759254574776,0.461538463830948,243.598083496094,0.556739568710327,3.44000005722046,440.143524169922,0.363345831632614,0.0,11.6889810562134,2.71531772613525,59.3199996948242,-0.656508982181549,30.5937614440918,0.0,-0.0533435456454754,1.13627588748932,0.857142865657806,7.50839185714722,0.214285714285714,514.794738769531,5.05591869354248,0.321898698806763,0.0,73.338020324707,0.502260327339172,5.26898000000001,2.33349704742432,-0.24014288187027,12.5511426925659,9.82939720153809,-0.0226655192673206,15.3599691390991,0.0,107.650100708008,5.98103332519531,0.0870278626680374,393.811798095703,7.97088813781738,164.133850097656,-0.17551426589489,6.0,711.55615234375,8.71452522277832,0.0871576368808746,2.0,18.8969421386719,567.0,4.26772594451904,4.56293106079102,0.444693297147751,3.899409532547,3.62800002098083,0.910683631896973,2.8157069683075,6.0,59.32,3.0,8.16326522827148,1.1217850446701,139.024230957031,0.866025388240814,13.0,0.0,0.0,4.37950420379639,1.34208381175995,169.058883666992,-251.194976806641,15.5228118896484,0.601240515708923,0.171502381563187,1117.6494140625,98.456,103.769958496094,2.06621527671814,-20.4104290008545,8.70123195648193,0.534522473812103,0.288675129413605,51.8933753967285,0.530386328697205,7.81001901626587,0.560620844364166,0.0,1.00335776805878,1.0,0.396825730800629,5.60309886932373,0.147920623421669,3.1741464138031,9.20333576202393,1.51287472248077
InChI%3D1S%2FC7H3Cl2N%2Fc8-6-2-1-3-7%289%295%286%294-10%2Fh1-3H,0.156628549098969,0.216540738940239,5.4770712852478,1.0,2.38110160827637,5.0,168.989995956421,0.853146493434906,0.0380355231463909,0.0,0.189338356256485,7.03111524558153e-09,25.7854957580566,-0.256140053272247,2.26868796348572,228.825881958008,588.423583984375,1.23383247852325,14.0696601867676,-147.241943359375,652.109436035156,23.4209976196289,3.20838332176208,20.9731349945068,-33.639835357666,824.450744628906,25.0427951812744,703.993286132812,24.8331432342529,0.0,0.0,0.428951770067215,13.4508275985718,79.0299987792969,0.276016384363174,34.9701538085938,3.40828402366864,0.0431510992348194,1.75,0.0,316.796356201172,0.0,1.97990000247955,11.9985513687134,0.146853491663933,0.400000005960464,68.8768310546875,0.440796583890915,1.89999997615814,44.3199806213379,0.571048259735107,2.0,6.92877674102783,0.607487261295319,23.7900009155273,-0.367450803518295,4.77962112426758,0.0,-0.0839501544833183,0.19245009124279,0.666666686534882,2.55553245544434,0.0,341.866058349609,1.23876953125,0.414215534925461,0.0,7.2788200378418,0.156838670372963,2.86508,0.19245009124279,-0.0218074358999729,2.94168281555176,9.6363868713379,-0.0151198050007224,6.4474196434021,0.0,45.36669921875,1.53953051567078,-0.108632676303387,171.886123657227,2.45907616615295,12.7558908462524,0.0678894370794296,0.0,110.603080749512,2.35705637931824,1.28373633945245e-09,0.0,17.2911624908447,74.0,0.75816535949707,4.62959051132202,0.432381629943848,0.971701979637146,1.61099994182587,0.0,0.813612163066864,2.0,23.79,1.0,3.40828394889832,0.0680413842201233,91.6932830810547,0.0,8.0,0.0,0.0,1.75,0.184195280075073,-56.9397621154785,-59.0016174316406,6.44705104827881,0.0240562614053488,0.398005217313766,257.845031738281,41.177,58.8459587097168,0.389826834201813,-13.4798860549927,3.35151720046997,0.0,0.0,50.9309959411621,0.664060056209564,2.52286243438721,0.0665826052427292,0.0,0.0818317085504532,0.0,0.360654205083847,1.7045065164566,0.243153855204582,1.08658933639526,3.92000389099121,0.433317959308624
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%2C3H2,0.260111182928085,4.16053533554077,6.80662393569946,0.0,7.38313722610474,4.0,356.849990844727,0.984544396400452,2.56172347068787,0.0,0.0998027771711349,1.74530816078186,64.2765197753906,-0.166057482361794,1.88668119907379,326.071197509766,2413.42651367188,1.32334041595459,32.7104225158691,-352.419311523438,3243.2490234375,7.02970314025879,3.17463445663452,74.0370788574219,-44.4202842712402,5806.5712890625,139.927490234375,5480.29931640625,113.313598632812,0.0,0.0,0.376462489366531,1.7153844833374,535.059997558594,0.406882464885712,34.9739570617676,2.86127547666009,0.0187482293695211,0.855424370683894,0.0,3404.0166015625,0.0,3.06080007553101,11.9985237121582,0.0154555793851614,0.333333343267441,102.948844909668,0.491667807102203,2.11999988555908,111.267601013184,0.623537480831146,6.0,5.12696075439453,2.68646693229675,0.0,-0.673922300338745,11.2656564712524,0.0,-0.0849437564611435,2.41360354423523,0.5,8.21460342407227,0.0,514.855285644531,6.56834268569946,0.27718311548233,0.0,14.8230781555176,0.254131346940994,5.2702,3.16466569900513,-0.00357348960824311,1.88988161087036,15.5414514541626,-0.103815689682961,7.7707200050354,0.0,78.0286026000977,9.02845096588135,-0.12751305103302,196.866394042969,16.5834712982178,32.0832672119141,0.0828616917133331,0.0,212.774139404297,27.8911323547363,0.256413191556931,0.0,9.80415439605713,198.0,9.48432064056396,8.47373390197754,0.429523855447769,16.9049129486084,4.1560001373291,0.279751896858215,28.0790271759033,0.0,0.0,0.0,2.86127543449402,0.970098853111267,170.514892578125,0.230051502585411,2.0,0.0,0.0,0.855424344539642,2.74808025360107,-129.204803466797,-184.293304443359,13.4745693206787,0.845332324504852,0.142608597874641,565.193481445312,78.054,8.08230304718018,2.75688409805298,-23.2290363311768,8.04552745819092,0.0,0.324377715587616,54.224437713623,0.616876184940338,8.9014196395874,2.54049110412598,0.0,2.70829272270203,0.0,0.40214878320694,9.41585636138916,0.212239563465118,7.61427307128906,9.36849689483643,5.89081382751465
InChI%3D1S%2FC10H6N2OS2%2Fc1-5-2-3-6-7%284-5%2912-9-8%2811-6%2914-10%2813%2915-9%2Fh2-4H%2C1H3,0.29090541601181,1.21293890476227,11.4218416213989,3.0,5.77347040176392,5.0,228.256999015808,0.766198873519897,0.850699126720428,0.0,0.378634184598923,0.0747686699032784,28.7499504089355,-0.272828996181488,1.77352595329285,237.499526977539,1284.7685546875,1.03336274623871,24.6759738922119,-235.083877563477,1541.76293945312,14.1248893737793,9.57354736328125,44.8041610717773,-26.8402614593506,2214.49047851562,31.5877819061279,1876.92956542969,24.2846279144287,0.0,0.0,0.429785698652267,1.92088937759399,319.049987792969,0.42541429400444,31.9733581542969,3.7856,0.0274115204811096,1.85123966942149,1.31037068367004,1328.30102539062,1.62648916244507,2.60170006752014,11.998556137085,0.233801156282425,0.5,74.5592041015625,0.48335674405098,2.00999999046326,73.8008499145508,0.570214331150055,0.0,4.75534915924072,1.24401688575745,,-0.56441456079483,14.7172422409058,0.333333343267441,-0.0644409731030464,0.16666667163372,1.0,5.03026342391968,0.0,319.12890625,4.19219064712524,0.155274957418442,0.0,17.8273410797119,0.312437683343887,2.5746,2.11367774009705,-0.164254426956177,1.65096366405487,11.5028448104858,-0.00729036005213857,7.05972480773926,0.0,66.8199996948242,2.43835973739624,-0.105811543762684,179.009719848633,3.9429612159729,30.5186748504639,0.178751662373543,0.0,177.188980102539,5.56265640258789,0.00654611364006996,0.0,11.4171514511108,203.0,1.4838535785675,6.19046831130981,0.454768389463425,2.09020113945007,0.592999994754791,0.096225045621395,2.26133227348328,0.0,99.33,3.0,3.78559994697571,0.355904757976532,98.9207458496094,0.1875,10.0,0.0,2.0,1.8512396812439,0.584163963794708,-58.4898109436035,-97.9146118164062,9.48421573638916,0.280807912349701,0.275543302297592,412.272857666016,63.805,97.3803405761719,0.875813603401184,-11.1792163848877,6.03607511520386,0.0,0.0,38.2574119567871,0.883607804775238,5.46184968948364,0.280443072319031,0.0,0.0916666686534882,1.0,0.09523756057024,4.03639268875122,0.261026412248611,3.20356154441833,6.76884269714355,2.00973010063171
InChI%3D1S%2FCHBr2Cl%2Fc2-1%283%294%2Fh1H,0.259139686822891,0.0,2.18151497840881,0.0,0.0,0.0,207.271997451782,0.997613489627838,0.0,0.0,0.0482944510877132,0.523763537406921,98.2289352416992,-0.129896730184555,0.790106236934662,211.349075317383,284.861633300781,1.37104856967926,16.2570877075195,-67.3128356933594,242.417053222656,26.8186893463135,0.867645025253296,83.5319900512695,-22.2799205780029,168.016525268555,0.0,0.0,0.0,0.0,0.0,0.108986109495163,0.399753630161285,4.03000020980835,0.0347111262381077,78.91943359375,1.33333333333333,0.010512113571167,0.0,0.0,0.0,0.0,2.02480006217957,11.9998188018799,0.00238648476079106,0.5,6.13201093673706,0.552301347255707,1.24000000953674,1.95299196243286,0.891013860702515,3.0,0.591455161571503,0.577350258827209,0.0,-0.283780157566071,4.09320688247681,0.0,-0.093928575515747,0.0,1.0,0.0,0.0,236.634582519531,0.0,0.362182378768921,0.0,1.55380153656006,0.113729648292065,2.2986,0.0,-0.084744393825531,0.0,10.7978801727295,0.0278795715421438,0.0,0.0,26.9811992645264,0.0,0.0,25.8515777587891,0.0,4.09437274932861,0.0,0.0,8.23350143432617,0.0,0.240091681480408,0.0,2.49348020553589,9.0,0.0,7.10049629211426,0.400000005960464,0.0,2.75,0.0,0.0,3.0,0.0,0.0,1.33333337306976,0.0,50.132137298584,0.0,0.0,0.0,0.0,,0.0,-185.497497558594,-15.9666481018066,5.6391658782959,0.0,0.406662255525589,75.5463333129883,27.495,0.56607574224472,2.5250928401947,-5.28481149673462,2.92244052886963,0.0,0.0,24.7733993530273,0.515992939472198,4.79835081100464,0.0,0.0,0.0,0.0,0.418747276067734,0.0,0.706184029579163,0.0,4.09981489181519,0.0
InChI%3D1S%2FC8H14ClN5%2Fc1-4-10-7-12-6%289%2913-8%2814-7%2911-5%282%293%2Fh5H%2C4H2%2C1-3H3%2C%28H2%2C10%2C11%2C12%2C13%2C14%29,0.209974110126495,0.463609933853149,12.3230400085449,3.0,2.38110160827637,0.0,201.575996398926,0.921948313713074,0.144208952784538,0.0,0.227323979139328,0.799967169761658,23.5126934051514,-0.262828797101974,3.68029594421387,141.335342407227,820.031860351562,1.26200640201569,17.6135902404785,-205.220794677734,895.083557128906,2.13500928878784,7.84277629852295,25.9030170440674,-19.9296340942383,1123.84509277344,21.7315120697021,1023.17156982422,25.4038944244385,0.0,2.0,0.711216747760773,0.0,718.059997558594,1.03269612789154,34.9693794250488,5.77777777777778,0.0350060872733593,4.38781163434903,0.819827675819397,886.213745117188,3.46729731559753,0.658900022506714,11.9985437393188,0.0780516937375069,0.5,170.356842041016,0.554278910160065,1.67999994754791,247.360382080078,0.288783252239227,1.0,8.3849630355835,1.10517168045044,,-0.419317096471786,22.5313129425049,4.0612621307373,-0.0407211966812611,0.0,1.0,3.40121817588806,0.142857142857143,451.216918945312,2.16166663169861,0.29865163564682,2.0,38.0818176269531,0.360783010721207,0.6209,0.670489072799683,-0.337742358446121,0.0,9.27312564849854,0.359437346458435,1.07456994056702,0.0,54.185001373291,1.30262875556946,-0.39618182182312,348.081359863281,2.45553708076477,73.4949035644531,0.28693875670433,2.0,505.418731689453,2.7310836315155,0.0649163872003555,0.0,17.1325626373291,166.0,0.485017627477646,5.2450704574585,0.397557854652405,0.697168111801147,2.18400001525879,0.0,0.655602872371674,4.0,69.19,5.0,5.77777767181396,0.0680413842201233,69.1718826293945,0.0,7.0,0.0,0.0,4.3878116607666,0.164266422390938,206.746017456055,-100.438484191895,9.39012813568115,0.0180421955883503,0.18077327311039,710.639526367188,54.7514,38.1998023986816,0.533665716648102,-9.75389575958252,5.11545133590698,0.0,0.0,37.0621948242188,0.866917252540588,3.60706901550293,0.0365953594446182,0.0,0.0,0.0,0.310169696807861,1.68543088436127,0.120288386940956,1.23819923400879,0.434149205684662,0.682373344898224
InChI%3D1S%2FC16H15Cl3O2%2Fc1-20-13-7-3-11%284-8-13%2915%2816%2817%2C18%2919%2912-5-9-14%2821-2%2910-6-12%2Fh3-10%2C15H%2C1-2H3,0.306629747152328,0.958912312984467,16.6347599029541,2.0,3.34162521362305,10.0,330.532991409302,0.934092164039612,0.684352219104767,0.0,0.303836405277252,1.5361875295639,45.687198638916,-0.34965580701828,2.81465840339661,250.048858642578,1633.5625,1.32164323329926,29.1835803985596,-365.197937011719,1902.03674316406,4.54822778701782,12.2839136123657,61.3218421936035,-32.2090644836426,2643.697265625,45.0387916564941,2704.96557617188,56.085033416748,0.100000001490116,5.0,0.557921350002289,0.0,949.049987792969,0.814847707748413,34.9710578918457,7.51300728407908,0.0321188494563103,4.48753462603878,2.95115184783936,2513.65771484375,1.8851683139801,3.07229995727539,11.998514175415,0.065907821059227,0.5,178.494018554688,0.49442982673645,2.67000007629395,260.691650390625,0.442078649997711,3.0,10.2756824493408,2.20383214950562,18.4599990844727,-0.645658671855927,21.490104675293,0.0,-0.056944627314806,0.38490018248558,1.0,5.71030807495117,0.227272727272727,528.341918945312,4.30807209014893,0.1692034304142,0.0,57.7692565917969,0.43133157491684,5.2059,2.21941924095154,-0.241818204522133,8.69190216064453,13.2532892227173,-0.00276222778484225,15.6241292953491,0.0,97.2703018188477,3.37696051597595,0.0342177674174309,315.571899414062,5.78261709213257,127.517730712891,0.0553606562316418,5.0,460.894775390625,7.50969409942627,0.092348039150238,2.0,18.1670875549316,376.0,2.23351287841797,4.81477165222168,0.401062667369843,3.58294439315796,3.38199996948242,0.0,4.0894718170166,5.0,18.46,0.0,7.51300716400146,0.16666667163372,141.432830810547,0.0,7.0,0.0,0.0,4.48753452301025,0.214076176285744,65.5230407714844,-206.563537597656,13.9143295288086,0.0555555559694767,0.238722547888756,826.092712402344,88.121,37.2788352966309,2.2430944442749,-18.2181148529053,7.43434476852417,0.0,0.420848786830902,50.3761520385742,0.67983466386795,6.88988399505615,0.054755475372076,0.0,0.326477825641632,0.0,0.426150768995285,3.88025116920471,0.190260201692581,2.91906452178955,9.43902683258057,1.80698800086975
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%2C1H2,0.260110318660736,5.05574607849121,7.34609842300415,1.0,12.9486093521118,2.0,372.848990440369,0.932620227336884,3.38407611846924,0.0,0.161463379859924,1.61285448074341,66.0509872436523,-0.368371039628983,1.70304334163666,334.081726074219,2440.63012695312,1.40765142440796,35.3746070861816,-422.332183837891,3334.74438476562,9.57530784606934,4.03020048141479,76.7012634277344,-53.9075622558594,5913.23291015625,143.923767089844,5680.6748046875,115.977783203125,0.0,0.0,0.315058141946793,0.0,619.070007324219,0.398283362388611,34.9739608764648,2.68698347107438,0.0166416149586439,0.757396449704142,0.0,3583.46484375,0.0,2.33809995651245,11.9985237121582,0.0673797652125359,0.333333343267441,74.9529495239258,0.552885591983795,2.00999999046326,94.7523880004883,0.68494188785553,6.0,3.95907282829285,2.89746475219727,12.5299997329712,-0.865874886512756,13.1816558837891,0.0,-0.110522493720055,2.50705695152283,0.5,8.91876316070557,0.0,454.887329101562,7.42002296447754,0.231829643249512,0.0,16.1104946136475,0.419459044933319,4.4814,4.07086277008057,-0.074646882712841,0.0,15.5097017288208,-0.100369319319725,4.0,0.0,76.1249008178711,9.5228672027588,-0.0783612951636314,153.670211791992,17.3216762542725,34.5265884399414,0.0778457894921303,0.0,194.263473510742,29.225736618042,0.219552531838417,1.0,8.11697959899902,228.0,9.88798713684082,6.51899480819702,0.396700859069824,17.6573753356934,3.00500011444092,0.319035589694977,29.6060199737549,0.0,12.53,1.0,2.68698358535767,1.53473019599915,162.949005126953,0.275412440299988,2.0,0.0,0.0,0.79778391122818,3.69101715087891,-180.411499023438,-205.99333190918,13.8828172683716,1.21997487545013,0.291356205940247,616.595642089844,77.575,32.8646087646484,2.91401886940002,-26.2935180664062,8.51693153381348,0.0,0.324377715587616,62.0245399475098,0.68558406829834,9.5818338394165,3.18710446357727,0.0,2.77244281768799,0.0,0.458064943552017,10.0797109603882,0.181461408734322,8.34370040893555,5.46671152114868,6.72481441497803
InChI%3D1S%2FC5H13ClN%2Fc1-7%282%2C3%295-4-6%2Fh4-5H2%2C1-3H3%2Fq%2B1,0.104480937123299,0.0,8.25307655334473,0.0,0.0,0.0,109.5149974823,0.992421746253967,0.0,0.0,0.292301028966904,0.864034354686737,15.0727415084839,-0.349392712116241,1.42150628566742,96.7329788208008,346.570983886719,1.54944539070129,8.6164779663086,-57.8262825012207,337.362945556641,1.65246880054474,5.96753597259521,10.1179227828979,-14.0229969024658,381.983642578125,6.44227266311646,188.636016845703,8.85521221160889,0.0,2.0,0.740729689598083,0.0574454292654991,319.019989013672,0.442802906036377,34.9693794250488,2.34375,0.0278198234736919,6.0,2.44948983192444,102.967315673828,0.0,-0.369500011205673,11.9985771179199,0.00757827935740352,0.5,103.110595703125,0.591772377490997,1.78999996185303,61.6387786865234,0.259270310401917,1.0,3.87255811691284,1.56066012382507,0.0,-0.154989928007126,17.2716903686523,0.0,-0.0375853888690472,0.0,1.0,0.75,0.333333333333333,370.269592285156,0.0,0.172239571809769,0.0,14.8672761917114,0.164992839097977,0.9314,0.0,-0.106648869812489,1.0,8.78575325012207,-0.0220172274857759,0.0,0.0,32.1301002502441,0.75,0.0825010687112808,276.364044189453,1.0,30.4498615264893,-0.0363313965499401,2.0,165.208450317383,0.25,0.10469239205122,0.0,10.3794937133789,38.0,1.06066012382507,5.4026575088501,0.556155681610107,1.55622899532318,0.637000024318695,0.0,0.400891870260239,7.0,0.0,0.0,2.34375,0.0,36.0907859802246,0.0,0.0,0.0,0.0,6.0,0.0,179.631057739258,-21.5748138427734,6.25521373748779,0.0,0.584441304206848,223.034729003906,33.6194,2.82743334770203,2.20710682868958,-5.23193836212158,3.92310404777527,0.0,0.5,24.4024906158447,0.66730785369873,4.54182052612305,0.0,0.0,0.0,0.0,0.401517361402512,1.46155202388763,0.10148011893034,1.20267558097839,0.136530250310898,0.0
InChI%3D1S%2FC9H17NOS%2Fc1-2-12-9%2811%2910-7-5-3-4-6-8-10%2Fh2-8H2%2C1H3,0.261169403791428,0.983522832393646,10.1334362030029,3.0,0.0,0.0,170.171998023987,0.933968782424927,0.418756365776062,0.0,0.284543126821518,1.29722189903259,19.2622108459473,-0.267496585845947,1.61386930942535,91.8806533813477,784.076599121094,1.46687352657318,16.1702175140381,-74.7688751220703,831.910400390625,7.44989252090454,7.22234535217285,21.2254848480225,-10.4641132354736,961.127075195312,20.8344020843506,1049.89172363281,14.5020313262939,0.0,3.0,0.79591453075409,1.14035248756409,709.030029296875,0.647684097290039,31.9720706939697,5.61224489795918,0.0259666759520769,3.515625,1.51917147636414,608.254516601562,0.333333343267441,-0.301899999380112,11.8999996185303,0.066031239926815,0.428571432828903,161.320861816406,0.519072651863098,2.11999988555908,131.276596069336,0.204085454344749,0.0,5.26308584213257,0.402368932962418,,-0.166076749563217,23.8025188446045,0.0,-0.0232429038733244,0.117851130664349,0.75,2.5710232257843,0.25,420.479064941406,1.70877695083618,0.159261807799339,0.0,23.1184520721436,0.208221346139908,2.6734,0.485702246427536,-0.177005678415298,8.68816184997559,9.94882488250732,0.144118443131447,2.55709981918335,0.0,46.2974014282227,1.02022004127502,-0.0687424167990685,358.326141357422,1.37377345561981,48.3722038269043,-0.00669821258634329,3.0,291.591766357422,1.54044008255005,0.128014013171196,0.0,11.6903743743896,130.0,0.577858865261078,5.82492971420288,0.457913011312485,0.825392305850983,1.94799995422363,0.0,0.962945997714996,5.0,45.61,2.0,5.61224508285522,0.0,41.3652954101562,0.0,3.0,0.0,1.0,3.515625,0.0,266.445465087891,-33.6614570617676,8.529953956604,0.0,0.328635334968567,366.360626220703,51.3492,29.7277126312256,0.223606795072556,-4.71101474761963,5.74569129943848,0.0,0.0,22.1544876098633,0.731394648551941,4.31544828414917,0.0,0.0,0.0559016987681389,1.0,0.489887863397598,2.9258987903595,0.320891827344894,2.08011984825134,0.0911436080932617,1.43685436248779
InChI%3D1S%2FC18H24N2O4%2Fc1-6-18%283%2C7-2%2914-11-15%2824-20-14%2919-17%2821%2916-12%2822-4%299-8-10-13%2816%2923-5%2Fh8-11H%2C6-7H2%2C1-5H3%2C%28H%2C19%2C21%29,0.238312542438507,0.915609657764435,21.7214984893799,5.0,5.9316611289978,5.0,308.207992553711,0.866361618041992,0.490573167800903,0.0,0.328302681446075,1.35882675647736,27.8178520202637,-0.348780900239944,3.61387062072754,141.75032043457,1505.16125488281,1.34832990169525,28.0445728302002,-296.7138671875,1739.03552246094,1.38164818286896,16.74880027771,39.2625007629395,-27.2174110412598,2417.63452148438,44.0101127624512,2426.97827148438,46.190746307373,0.57235711812973,8.0,0.793153762817383,1.94690537452698,2257.06005859375,1.66024112701416,16.0007915496826,9.08734693877551,0.0421967357397079,4.60117700316885,5.77135133743286,2149.87646484375,5.83828783035278,-0.318899989128113,11.9989995956421,0.13363841176033,0.454545468091965,372.486358642578,0.65992283821106,2.77999997138977,779.693908691406,0.206846207380295,0.0,19.816722869873,1.83119428157806,,-0.43297353386879,37.3157958984375,0.333333343267441,-0.0397164411842823,0.46597146987915,0.833333313465118,6.72612142562866,0.32,593.711791992188,4.59790468215942,0.166372984647751,0.0,88.1973419189453,0.602609217166901,4.0218,1.93724417686462,-0.282973170280457,3.34538722038269,10.7492237091064,0.0534510537981987,9.95123195648193,0.0,93.6939010620117,4.75842714309692,-0.342015713453293,543.54296875,7.37516307830811,192.165908813477,0.544021427631378,8.0,1137.75219726562,8.31999588012695,0.0625567734241486,3.0,28.9171409606934,437.0,2.90659403800964,5.07008409500122,0.34039369225502,3.50545406341553,3.57299995422363,0.117851130664349,2.65460801124573,6.0,73.59,2.0,9.08734703063965,0.210300281643867,97.1405487060547,0.0481125228106976,11.0,0.0,0.0,4.60117721557617,0.367546856403351,401.792663574219,-203.336013793945,15.1410646438599,0.0721687823534012,0.166146785020828,1434.46606445312,91.9362,91.5815048217773,1.21936345100403,-18.6519088745117,8.41655445098877,0.75,0.144337564706802,56.1345520019531,0.778353750705719,6.38476419448853,0.113803200423717,0.0,0.237589150667191,1.0,0.348013341426849,5.20592308044434,0.113800436258316,3.02591371536255,0.101697206497192,1.62491834163666
InChI%3D1S%2FC17H26ClNO3S%2Fc1-4-14%2819-22-8-6-7-18%2917-15%2820%2910-13%2811-16%2817%2921%299-12%283%2923-5-2%2Fh6-7%2C12-13%2C19H%2C4-5%2C8-11H2%2C1-3H3,0.249142155051231,1.45473980903625,23.5998821258545,5.0,6.38240623474121,4.0,333.710993766785,0.888692080974579,0.847343504428864,0.0,0.382157683372498,1.31105542182922,39.5239028930664,-0.374810844659805,2.39703130722046,214.854019165039,1591.19213867188,1.42771589756012,30.0072345733643,-354.871734619141,1750.13720703125,5.75883483886719,19.8917942047119,38.4522018432617,-39.0130844116211,2210.35717773438,39.2750930786133,2331.06860351562,45.6403388977051,0.0,9.0,0.673505425453186,0.402310818433762,1895.06005859375,1.11242067813873,34.9688529968262,11.5362663495838,0.026133494451642,7.18367346938776,4.23978900909424,2223.56665039062,3.93523001670837,0.223800003528595,11.9884510040283,0.111307933926582,0.466666668653488,291.659515380859,0.503726363182068,2.67000007629395,481.730438232422,0.326494574546814,1.0,11.3170309066772,1.24198162555695,80.6999969482422,-0.539267063140869,34.2953834533691,0.0,-0.0592847168445587,0.212690398097038,0.875,5.82631206512451,0.391304347826087,584.8154296875,3.69288873672485,0.101569630205631,0.0,76.9031448364258,0.419388145208359,4.0041,1.58150470256805,-0.0960025191307068,5.75488233566284,10.8421058654785,-0.0349220894277096,13.1906394958496,0.0,95.9421997070312,2.55430054664612,-0.184261217713356,443.209045410156,4.82684516906738,163.01579284668,0.00995975360274315,9.0,732.04296875,5.99905204772949,0.0555534772574902,1.0,17.1974868774414,489.0,1.61959934234619,5.35697031021118,0.514097154140472,2.58987092971802,4.64900016784668,0.0,2.71071481704712,9.0,80.7,2.0,11.5362663269043,0.0555555559694767,141.387496948242,0.0,8.0,0.25,1.0,7.18367338180542,0.182469829916954,228.355041503906,-233.527984619141,15.6354246139526,0.0360843911767006,0.177692741155624,1086.91467285156,96.3467,73.2476425170898,0.999350070953369,-25.6730690002441,9.55563259124756,0.400000005960464,0.0,56.2105712890625,0.963180243968964,7.57154893875122,0.0730204954743385,0.0,0.0581814795732498,2.0,0.409892380237579,5.01460123062134,0.101528771221638,3.84466648101807,0.0500864386558533,2.14187836647034
InChI%3D1S%2FC19H26O4S%2Fc1-5-14-21-24%2820%2923-18-9-7-6-8-17%2818%2922-16-12-10-15%2811-13-16%2919%282%2C3%294%2Fh1%2C10-13%2C17-18H%2C6-9%2C14H2%2C2-4H3,0.306163907051086,1.12639367580414,23.9747714996338,4.0,2.10257887840271,5.0,324.271993637085,0.923485934734344,0.688834369182587,0.0,0.356654435396194,1.35818517208099,33.2256278991699,-0.339600950479507,3.22405123710632,292.549224853516,1590.98645019531,1.41315269470215,33.9975662231445,-524.296142578125,1787.86242675781,0.582677781581879,19.3925361633301,41.987621307373,-31.1463108062744,2380.26635742188,42.4368362426758,2302.57055664062,40.8866729736328,0.965489387512207,7.0,0.630757212638855,5.23680830001831,2049.05004882812,1.13042020797729,31.9720726013184,9.62975778546713,0.0387486331164837,6.68244575936884,6.1673264503479,2025.26916503906,2.88597559928894,1.23039996623993,11.8900003433228,0.0765140652656555,0.5,395.946075439453,0.555459022521973,3.0,709.600219726562,0.369242817163467,0.0,24.3237323760986,2.33649563789368,63.9700012207031,-0.661743581295013,38.5493812561035,0.0,-0.0393115095794201,0.516346037387848,1.0,5.7846508026123,0.28,731.673278808594,4.62201595306396,0.134476825594902,0.0,93.2400436401367,0.485722661018372,4.7849,2.08542537689209,-0.362083852291107,10.4750785827637,10.2475137710571,0.186341911554337,12.3311290740967,0.0,92.5934982299805,3.5387556552887,-0.0424199961125851,499.745788574219,4.65104818344116,202.131988525391,-0.119259305298328,7.0,895.626281738281,5.66813182830811,0.056650597602129,3.0,30.7003479003906,519.0,1.88816690444946,4.47524547576904,0.412180304527283,2.16108584403992,2.72300004959106,0.0,2.16405510902405,7.0,63.97,3.0,9.62975788116455,0.16666667163372,231.785308837891,0.0,7.0,0.0,0.0,6.68244552612305,0.218443363904953,207.196533203125,-415.397216796875,15.0770893096924,0.111111111938953,0.18944451212883,1419.92236328125,95.9615,60.621711730957,1.65282416343689,-24.6770668029785,8.88961791992188,1.10520946979523,0.25,61.8466606140137,0.849436104297638,7.49029874801636,0.0932705029845238,0.0,0.277777791023254,1.0,0.445513367652893,4.49201726913452,0.170791789889336,3.08753371238708,1.51388418674469,2.13424253463745
InChI%3D1S%2FC14H16ClO5PS%2Fc1-4-17-21%2822%2C18-5-2%2920-10-6-7-11-9%283%2913%2815%2914%2816%2919-12%2811%298-10%2Fh6-8H%2C4-5H2%2C1-3H3,0.316287159919739,1.23035418987274,18.836275100708,5.0,7.13593721389771,6.0,346.642994880676,0.849986135959625,0.727717161178589,1.0,0.339643836021423,1.47999370098114,45.3632659912109,-0.30944961309433,2.54735684394836,195.345260620117,1349.99365234375,1.48516499996185,40.1349906921387,-341.955871582031,1568.03271484375,0.0602172613143921,14.8089246749878,55.0638046264648,-31.035737991333,2202.57666015625,61.4093551635742,2285.8232421875,52.1640510559082,1.85314404964447,6.0,0.675767719745636,1.5903205871582,1059.07995605469,1.18294525146484,34.9688529968262,7.71349862258953,0.031064510345459,4.30839002267574,3.3372859954834,1905.16931152344,3.42695283889771,3.01180005073547,11.8500003814697,0.150013849139214,0.454545468091965,245.296188354492,0.607985138893127,2.11999988555908,429.395965576172,0.324232250452042,1.0,11.2760715484619,2.05425262451172,,-0.56757515668869,32.8733139038086,0.0,-0.0515128299593925,0.393802672624588,0.833333313465118,6.36672449111938,0.260869565217391,512.104431152344,4.37340593338013,0.135236755013466,0.0,63.4108047485352,0.690035998821259,5.0817,2.07237887382507,-0.507993102073669,2.67153358459473,10.135853767395,0.295601844787598,8.54165935516357,1.0,92.9802017211914,4.31266307830811,-0.150184988975525,407.140319824219,7.00342512130737,138.077789306641,0.0664825364947319,6.0,712.707458496094,8.79353618621826,0.0785714611411095,4.0,18.7159194946289,385.0,2.48740100860596,4.92759943008423,0.485297828912735,3.54669260978699,3.89599990844727,0.0,3.33801746368408,9.0,99.8,3.0,7.71349859237671,0.113402299582958,117.69270324707,0.0,16.0,0.0,0.0,4.30839014053345,0.335741549730301,211.795059204102,-206.023483276367,14.8877849578857,0.0368140190839767,0.176204532384872,1054.66333007812,90.622,90.3811798095703,1.42041003704071,-18.6985855102539,9.64937591552734,0.759835660457611,0.111803397536278,49.7516555786133,0.895379424095154,7.67352199554443,0.0788334086537361,0.0,0.147585853934288,1.0,0.391882002353668,5.73694658279419,0.180602863430977,4.12018251419067,9.07093906402588,1.95054578781128
InChI%3D1S%2FC18H16ClNO5%2Fc1-3-22-17%2821%2911%282%2923-13-5-7-14%288-6-13%2924-18-20-15-9-4-12%2819%2910-16%2815%2925-18%2Fh4-11H%2C3H2%2C1-2H3,1.11049997806549,0.694022119045258,26.6588573455811,5.0,6.3105092048645,10.0,345.652991294861,0.859252512454987,0.396189570426941,0.0,0.390541046857834,1.03488481044769,36.9450874328613,0.889999985694885,2.85584950447083,333.523254394531,1380.96459960938,1.41044330596924,32.2729339599609,-703.448608398438,1579.04309082031,3.39019131660461,22.768123626709,47.5447273254395,-48.3782844543457,2129.37841796875,44.9360733032227,1959.07458496094,39.0352897644043,1.18558597564697,7.0,0.561542153358459,0.0564830303192139,1336.06994628906,1.18437325954437,34.9688987731934,9.27392257121987,0.0330924987792969,5.48960302457467,2.34933185577393,1648.33483886719,2.53746485710144,0.437799990177155,11.8900003433228,0.140747457742691,0.5,324.921905517578,0.592209815979004,2.67000007629395,685.307067871094,0.438457816839218,1.0,19.1481227874756,1.7057853937149,70.7900009155273,-0.924770653247833,28.2865180969238,0.0,-0.0635992735624313,0.25,1.0,6.977623462677,0.259259259259259,653.610656738281,5.49824476242065,0.107125721871853,0.0,91.5401916503906,0.81884217262268,4.6039,2.67821574211121,-0.504295825958252,5.89623022079468,8.66629981994629,0.0549070164561272,15.9666213989258,0.0,35.9766006469727,3.52281475067139,0.113902553915977,427.150268554688,4.9271297454834,185.489685058594,-0.0925586894154549,7.0,900.921447753906,6.51821565628052,0.0388195477426052,3.0,25.1725902557373,649.0,0.999328017234802,4.40619993209839,0.415156841278076,1.17059195041656,4.57600021362305,0.096225045621395,1.23752963542938,8.0,70.79,4.0,9.27392292022705,0.355498850345612,253.70231628418,0.0228217728435993,17.0,0.0,0.0,5.48960304260254,0.55313503742218,93.6270141601562,-535.0947265625,14.4482574462891,0.0875032991170883,0.180640920996666,1604.36999511719,92.258,107.062866210938,0.651771724224091,-36.8000831604004,8.0999402999878,0.854574024677277,0.0,73.5508728027344,0.893957853317261,5.61385011672974,0.107756264507771,0.0,0.0348563715815544,1.0,0.403076589107513,3.52623510360718,0.149669989943504,2.28197979927063,0.191668838262558,1.45859563350677
InChI%3D1S%2FC17H20N2S%2Fc1-13%2818%282%293%2912-19-14-8-4-6-10-16%2814%2920-17-11-7-5-9-15%2817%2919%2Fh4-11%2C13H%2C12H2%2C1-3H3,0.0395147725939751,1.88708662986755,13.0027303695679,2.0,4.25141477584839,12.0,264.267995834351,0.983065783977509,1.23440515995026,0.0,0.134825050830841,1.194171667099,26.847728729248,-0.341776251792908,5.13685703277588,165.414611816406,1767.25537109375,1.36284327507019,26.3366813659668,-186.473098754883,2106.3349609375,1.42608892917633,6.67170190811157,38.8424377441406,-11.5998525619507,3012.64428710938,42.9835205078125,3159.61279296875,35.0064659118652,0.0,3.0,0.694186389446259,0.866161823272705,1384.03002929688,0.782561421394348,31.9720726013184,6.40582726326743,0.0342114642262459,3.12244897959184,4.52629566192627,2657.23706054688,3.70326042175293,1.85370004177094,11.9933195114136,0.0169341918081045,0.5,203.100128173828,0.437804162502289,3.0,228.956268310547,0.305813610553741,0.0,10.0093469619751,1.31061720848083,,-0.344745934009552,28.1041393280029,0.0,-0.0214454624801874,0.482896149158478,1.0,5.94272804260254,0.136363636363636,531.740356445312,5.35469436645508,0.395059883594513,0.0,48.3730239868164,0.172241374850273,2.8873,2.88574624061584,-0.105069108307362,10.9025850296021,11.9574518203735,-0.0434490218758583,15.4046936035156,0.0,98.2141036987305,3.38791513442993,0.114865086972713,375.485473632812,4.69767761230469,102.301895141602,-0.0619923993945122,3.0,423.287536621094,7.47892236709595,0.0918400660157204,0.0,18.5049839019775,276.0,2.30971956253052,6.15142345428467,0.397708564996719,2.67976403236389,2.55100011825562,0.0,3.764084815979,6.0,32.98,2.0,6.40582704544067,0.212027594447136,89.472770690918,0.0,13.0,0.0,1.0,3.12244892120361,0.374451249837875,210.070877075195,-100.863311767578,13.0224313735962,0.0897882133722305,0.270503222942352,609.760620117188,85.2199,9.15970611572266,1.00248289108276,-6.27436113357544,7.78111124038696,0.0,0.0,30.1048355102539,0.675817728042603,6.54452657699585,0.196149662137032,0.0,0.319504827260971,0.0,0.52733051776886,4.99063062667847,0.0564989633858204,3.50111675262451,3.43620371818542,2.78763628005981
InChI%3D1S%2FC28H31N2O3%2Fc1-6-29-23-15-25-21%2813-17%2823%294%2927%2819-11-9-10-12-20%2819%2928%2831%2932-8-3%2922-14-18%285%2924%2830-7-2%2916-26%2822%2933-25%2Fh9-16%2C29-30H%2C6-8H2%2C1-5H3,0.293621063232422,2.15418767929077,22.6695079803467,5.0,21.5527992248535,12.0,412.318989753723,0.94162267446518,1.47931492328644,0.0,0.219705000519753,2.61836624145508,36.043384552002,-0.312450170516968,5.85383319854736,233.412857055664,2615.98291015625,1.29490005970001,38.3251991271973,-498.939270019531,3158.73413085938,0.399128586053848,14.1973075866699,55.0962257385254,-23.0354442596436,4672.23779296875,64.3180313110352,5420.6611328125,67.7602233886719,0.142857149243355,8.0,0.724558293819427,0.0,3568.05004882812,1.54880332946777,15.9969387054443,11.8231449442522,0.0314676836133003,5.55555555555556,8.65117359161377,5398.64599609375,10.6930046081543,2.5715000629425,11.8900003433228,0.0583773143589497,0.461538463830948,520.311645507812,0.482567876577377,3.99000000953674,1112.20910644531,0.27544167637825,0.0,22.5972175598145,2.02921557426453,,-0.588779389858246,41.0926246643066,0.125,-0.0271832589060068,0.659648358821869,0.857142865657806,10.6349401473999,0.222222222222222,797.943237304688,9.35653400421143,0.258224993944168,0.0,135.609893798828,0.49361190199852,6.6296,5.64126348495483,-0.286703169345856,10.734148979187,13.1529150009155,0.0766535773873329,33.7646026611328,0.0,141.991592407227,5.43442344665527,-0.0742662027478218,614.000122070312,9.21645927429199,375.888336181641,0.14710733294487,8.0,1312.47595214844,15.0096607208252,0.115501679480076,2.0,26.6661224365234,698.0,2.23819994926453,4.98966073989868,0.39358189702034,3.29401206970215,3.85999989509583,0.0,4.55084323883057,5.0,59.59,4.0,11.8231449127197,0.239805370569229,197.797073364258,0.0,15.0,0.0,0.0,5.55555534362793,0.583110213279724,380.587249755859,-422.8076171875,20.0422172546387,0.0841758325695992,0.145988583564758,1811.41528320312,134.1029,49.4696922302246,0.98686808347702,-19.5205345153809,11.686375617981,0.534522473812103,0.0,49.7015686035156,0.785512566566467,8.31336688995361,0.174879387021065,0.0,0.221201434731483,1.0,0.41875022649765,6.05711126327515,0.137307420372963,4.57508230209351,6.61261224746704,3.44843506813049
InChI%3D1S%2FC10H15O3PS2%2Fc1-8-7-9%285-6-10%288%2916-4%2913-14%2815%2C11-2%2912-3%2Fh5-7H%2C1-4H3,0.297480672597885,0.955671787261963,14.6236438751221,5.0,1.65096366405487,5.0,263.214999198914,0.932840168476105,0.682068347930908,1.0,0.310990422964096,0.73847758769989,36.2293281555176,-0.312517106533051,2.94686770439148,116.499122619629,999.094360351562,1.42720341682434,33.5265502929688,-141.268493652344,1106.96276855469,4.28725719451904,10.9382991790771,40.7328796386719,-16.1605644226074,1447.74206542969,38.8331260681152,1386.08984375,28.1595859527588,1.5,5.0,0.776340067386627,0.477427244186401,721.059997558594,0.941400945186615,31.9734268188477,6.07438016528926,0.0343944728374481,3.76923076923077,2.89319920539856,1044.61938476562,3.31403422355652,2.65409994125366,11.9984607696533,0.0671598017215729,0.444444447755814,210.630310058594,0.588208138942719,1.89999997615814,255.413299560547,0.223659947514534,0.0,9.33163070678711,1.53326976299286,94.8899993896484,-0.271213233470917,30.7661056518555,0.0,-0.0310257356613874,0.117851130664349,0.800000011920929,3.59786796569824,0.3125,485.894165039062,2.32143664360046,0.201513916254044,0.0,42.4876022338867,0.433395177125931,4.2636,0.918375849723816,-0.390625298023224,1.65096366405487,10.7445840835571,0.355043709278107,5.85380077362061,1.0,77.7763977050781,3.1469931602478,-0.244541853666306,404.376983642578,4.06688451766968,80.9151229858398,0.0252142790704966,5.0,490.353271484375,3.82047152519226,0.0504988767206669,3.0,17.9152603149414,216.0,2.65207195281982,4.79400968551636,0.554152131080627,2.82376384735107,3.17499995231628,0.0,2.13525128364563,7.0,94.89,2.0,6.07438039779663,0.0680413842201233,60.6816101074219,0.0,11.0,0.0,1.0,3.76923084259033,0.164266422390938,287.877868652344,-73.583381652832,12.2479257583618,0.0240562614053488,0.256897121667862,631.621765136719,72.117,34.9819374084473,1.30202662944794,-8.41765213012695,8.38210678100586,0.0,0.111803397536278,34.0758247375488,0.916809499263763,7.03209018707275,0.0633399710059166,0.0,0.102062076330185,0.0,0.284843176603317,5.3755087852478,0.245280534029007,2.69900560379028,7.04424667358398,1.41643667221069
InChI%3D1S%2FC5H4O2%2Fc6-4-5-2-1-3-7-5%2Fh1-4H,0.203258097171783,0.0185185186564922,,1.0,0.0,0.0,92.0529975891113,,0.0,0.0,,,8.54893779754639,-0.39732152223587,,,216.849029541016,,7.99627590179443,,229.107192993164,,,9.32836818695068,,260.798461914062,5.10656118392944,100.654312133789,2.66418385505676,0.0,1.0,,,79.0199966430664,,16.0007247924805,2.34375,,1.18518518518519,0.0,39.8707580566406,0.0,-0.346500009298325,11.9939661026001,,0.5,,,1.78999996185303,,,0.0,,0.20412415266037,30.2099990844727,,7.24682807922363,0.0,,0.0,1.0,1.41861128807068,0.142857142857143,,0.492799282073975,,0.0,,0.315179973840714,1.0921,0.0,-0.123790875077248,3.30192732810974,6.5589337348938,-0.113162949681282,2.82842707633972,0.0,7.91300010681152,0.492799282073975,0.13036136329174,,0.594861328601837,,-0.0509975180029869,1.0,,0.20412415266037,,0.0,,44.0,0.106345199048519,3.51624727249146,,0.100116394460201,1.057000041008,0.144337564706802,0.0185185186564922,2.0,30.21,1.0,2.34375,0.102062076330185,,0.039283711463213,7.0,0.0,0.0,1.1851851940155,0.102062076330185,,,3.62589764595032,0.0226804614067078,,,24.0955,,0.0680413842201233,,1.91954565048218,0.333333343267441,0.0,,,1.13327074050903,0.00925925932824612,0.0,0.0,1.0,,0.659336924552917,,0.358319312334061,0.120062246918678,0.084078885614872
InChI%3D1S%2FC10H5Cl7O%2Fc11-3-1-2%284-5%283%2918-4%299%2815%297%2813%296%2812%298%281%2C14%2910%289%2C16%2917%2Fh1-5H,0.26024717092514,3.93559432029724,6.60944604873657,1.0,10.3828754425049,2.0,384.279990196228,0.945779144763947,2.25379371643066,0.0,0.0998816192150116,1.54622972011566,72.7637405395508,-0.366466343402863,1.97985148429871,377.493957519531,2325.69873046875,1.23752617835999,35.3263473510742,-518.890502929688,3141.54858398438,4.90416574478149,3.08336496353149,76.604736328125,-58.6565704345703,5466.4765625,151.378875732422,5422.49462890625,126.906349182129,0.0,0.0,0.222409620881081,1.32343566417694,370.079986572266,0.305716812610626,34.9749450683594,2.72,0.0166029501706362,0.783673469387755,0.0,3179.0166015625,0.0,3.03819990158081,11.9985313415527,0.0542208701372147,0.333333343267441,52.4169578552246,0.454775869846344,1.67999994754791,72.0505905151367,0.777590394020081,7.0,3.91294288635254,2.81774926185608,,-1.06884968280792,10.3220348358154,0.0,-0.120825208723545,2.49078512191772,0.5,7.89039039611816,0.0,459.143920898438,6.4073224067688,0.299548774957657,0.0,13.933500289917,0.476218432188034,4.4527,2.80892705917358,-0.0604964196681976,0.0,15.5745115280151,-0.0944367721676826,0.0,0.0,73.127197265625,9.21731758117676,-0.0868241041898727,107.972381591797,16.6110553741455,29.9820671081543,-0.169190511107445,0.0,148.415222167969,28.1779117584229,0.23394238948822,1.0,8.06017303466797,197.0,9.6491298675537,7.07958555221558,0.444434463977814,17.0198230743408,3.03200006484985,0.226050779223442,28.459321975708,0.0,12.53,1.0,2.72000002861023,1.37237286567688,183.260604858398,0.182427614927292,2.0,0.0,0.0,0.83044981956482,3.53014969825745,-269.521575927734,-251.903884887695,13.7322540283203,1.07180058956146,0.266569197177887,667.305725097656,75.619,26.3224067687988,2.86007118225098,-28.4757919311523,8.02175521850586,0.0,0.324377715587616,66.7167434692383,0.609761774539948,8.96680164337158,2.98768639564514,0.0,2.7668342590332,0.0,0.338315784931183,9.29954814910889,0.166993767023087,7.39456701278687,9.23065948486328,5.76122808456421
InChI%3D1S%2FC9H14O%2Fc1-7-4-8%2810%296-9%282%2C3%295-7%2Fh4H%2C5-6H2%2C1-3H3,0.155949324369431,0.415213376283646,6.43307018280029,1.0,0.5,2.0,124.097996711731,0.876499950885773,0.0,0.0,0.16998291015625,0.993223190307617,10.7744693756104,-0.294357568025589,1.8374742269516,95.9307022094727,578.768005371094,1.24351155757904,10.3320922851562,-57.1691436767578,642.936950683594,23.4749660491943,3.60237288475037,15.6641836166382,-16.0679721832275,873.716613769531,11.6641836166382,624.490844726562,10.3283681869507,0.0,0.0,0.750743985176086,0.641661167144775,486.010009765625,0.447399944067001,15.9949169158936,2.56,0.0238155741244555,2.28571428571429,3.57165241241455,376.789611816406,2.40187382698059,1.94889998435974,11.8999996185303,0.123500026762486,0.25,111.202819824219,0.494077652692795,2.33999991416931,66.2704467773438,0.249256014823914,0.0,3.52764582633972,1.78445708751678,17.0699996948242,-0.148542150855064,16.2628974914551,0.0,-0.0417492911219597,0.0,0.333333343267441,2.82353281974792,0.0,337.3369140625,1.02022004127502,0.285629451274872,0.0,12.0222501754761,0.124263778328896,2.3218,0.0,-0.0354303121566772,1.5,9.56506633758545,-0.0288949124515057,4.1601676940918,0.0,42.6464004516602,1.60760700702667,0.0151210743933916,288.937438964844,3.65504050254822,25.0297298431396,-0.0129277408123016,0.0,172.189987182617,3.25038290023804,0.154393345117569,0.0,9.16585540771484,70.0,1.14101088047028,4.75880908966064,0.40325528383255,2.11472511291504,1.98199999332428,0.0,1.65225005149841,0.0,17.07,1.0,2.55999994277954,0.0589255653321743,36.9206695556641,0.0,4.0,0.0,0.0,2.28571438789368,0.235702261328697,193.006744384766,-22.0025825500488,6.8998122215271,0.0360843911767006,0.49388512969017,229.359130859375,41.779,47.5312232971191,1.49456429481506,-6.18405055999756,3.69568800926208,0.0,0.25,25.2338275909424,0.649446964263916,3.97477006912231,0.122984565794468,0.0,0.0,1.0,0.346178650856018,1.81756365299225,0.261582762002945,1.66589295864105,3.79821109771729,0.580510377883911
InChI%3D1S%2FC7H9NO%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5H%2C8H2%2C1H3,0.114253610372543,0.133322894573212,7.43011093139648,2.0,0.333333343267441,6.0,114.082997322083,0.878753125667572,0.0226804614067078,0.0,0.330239415168762,0.0965065509080887,10.1344566345215,-0.348693430423737,1.58528017997742,93.1339340209961,398.635314941406,1.09454798698425,9.8303689956665,-74.0500259399414,424.212524414062,9.4161205291748,5.74832391738892,11.9965543746948,-15.8024129867554,507.394927978516,9.99655437469482,383.210327148438,4.49827718734741,0.0,1.0,0.73722779750824,3.55645203590393,252.020004272461,0.586163759231567,15.9949169158936,3.2396694214876,0.0499685890972614,2.0,1.15470051765442,151.576354980469,0.63245552778244,-0.291900008916855,11.8500003814697,0.121246881783009,0.5,92.6101837158203,0.534099817276001,2.00999999046326,73.6335983276367,0.26277220249176,0.0,6.27702903747559,0.492799282073975,35.25,-0.208928018808365,11.0948629379272,0.0,-0.0445856265723705,0.0,1.0,1.73736357688904,0.111111111111111,311.455078125,1.37377345561981,0.213358893990517,0.0,9.82044506072998,0.165842816233635,1.2774,0.117851130664349,-0.0894230082631111,3.30192732810974,7.47901391983032,0.00474289432168007,5.65685415267944,0.0,41.1491012573242,0.901047587394714,0.000949233944993466,261.294464111328,0.937443673610687,18.1299915313721,-0.0266120228916407,1.0,207.753082275391,1.06903564929962,0.0129885757341981,1.0,17.7102870941162,77.0,0.257719904184341,4.69465160369873,0.4304338991642,0.228162154555321,0.564000010490417,0.0,0.194155588746071,2.0,35.25,1.0,3.23966932296753,0.0833333358168602,33.0093154907227,0.0,8.0,0.0,0.0,2.0,0.142258897423744,168.160537719727,-26.245433807373,5.29499959945679,0.0277777779847383,0.438508450984955,281.803100585938,37.4064,42.9733390808105,0.164266422390938,-5.60082387924194,2.72241473197937,0.0,0.0,33.5126991271973,0.791590929031372,1.77315974235535,0.027377737686038,0.0,0.0,0.0,0.130014285445213,1.11580193042755,0.156082570552826,0.603910386562347,0.0852056071162224,0.368831038475037
InChI%3D1S%2FC8H18NO4PS2%2Fc1-9-8%2810%294-5-15-6-7-16-14%2811%2C12-2%2913-3%2Fh4-7H2%2C1-3H3%2C%28H%2C9%2C10%29,0.372496455907822,1.51986491680145,14.3240098953247,7.0,0.0,0.0,269.198999404907,0.785733044147491,0.960879385471344,0.0,0.271681308746338,1.38084650039673,37.3637847900391,-0.348567008972168,2.97973942756653,172.324157714844,846.255432128906,1.42450034618378,34.5287055969238,-286.000244140625,864.719360351562,4.00630474090576,9.96342468261719,38.7902221679688,-34.5286827087402,946.649291992188,33.8709602355957,897.845947265625,26.2208728790283,0.5,9.0,0.703017711639404,0.840669095516205,849.080017089844,1.16677343845367,31.9730739593506,9.07407407407407,0.0417871624231339,7.8641975308642,2.21705102920532,728.679748535156,0.550321221351624,1.00870001316071,11.9962921142578,0.214266940951347,0.454545468091965,236.699615478516,0.544661521911621,1.46000003814697,392.841888427734,0.296982288360596,0.0,14.069354057312,1.215451836586,128.529998779297,-0.492890864610672,35.5477256774902,0.0,-0.059506494551897,0.0,0.833333313465118,2.20580697059631,0.6,455.922119140625,1.25796437263489,0.208024114370346,1.0,47.5609321594238,0.619730472564697,2.8301,0.507341325283051,-0.526826977729797,2.94168281555176,9.9521827697754,0.434124976396561,1.59054148197174,1.0,69.2175979614258,2.32490611076355,-0.296094715595245,407.926483154297,2.19573354721069,102.880073547363,0.043993778526783,9.0,677.02099609375,1.00084137916565,0.0964008271694183,2.0,24.2470283508301,260.0,1.0506591796875,4.37999153137207,0.459049791097641,1.03830122947693,0.861000001430511,0.0,0.658185184001923,16.0,128.53,5.0,9.0740737915039,0.0,99.9912109375,0.0,4.0,0.111111111938953,2.0,7.86419773101807,0.0,235.602340698242,-165.95182800293,11.568244934082,0.0,0.209964796900749,963.021301269531,72.0123,124.32852935791,0.527374505996704,-20.0352916717529,7.30654335021973,0.942809045314789,0.05592967197299,58.7757110595703,0.66236400604248,5.81087112426758,0.0,1.0,0.0,1.0,0.420789033174515,4.6453914642334,0.224417462944984,3.03185987472534,1.01747572422028,2.16668128967285
InChI%3D1S%2FC39H42N3O6S2%2Fc1-5-41%2827-29-9-7-11-37%2825-29%2949%2843%2C44%2945%2935-21-15-32%2816-22-35%2939%2831-13-19-34%2820-14-31%2940%283%294%2933-17-23-36%2824-18-33%2942%286-2%2928-30-10-8-12-38%2826-30%2950%2846%2C47%2948%2Fh7-26H%2C5-6%2C27-28H2%2C1-4H3%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29,0.315388888120651,2.68895220756531,41.2171783447266,6.0,9.47722816467285,24.0,670.577987670898,0.898290812969208,1.8893837928772,0.0,0.13160203397274,3.33480191230774,67.9822845458984,-0.302183538675308,16.9109649658203,405.463470458984,4259.51806640625,1.2945818901062,74.1736373901367,-1394.31530761719,4974.62109375,0.38422104716301,20.9714126586914,92.9803619384766,-57.122932434082,7014.72900390625,95.3260955810547,7452.73193359375,93.827537536621,0.0,13.0,0.648195207118988,0.13790038228035,6959.10986328125,2.22902584075928,31.9735298156738,18.5562130177515,0.0402153618633747,11.2753019575177,11.5299348831177,7174.6376953125,5.55773210525513,3.89560008049011,11.9989995956421,0.101709179580212,0.5,861.005310058594,0.522298157215118,4.53999996185303,2960.84106445312,0.351804792881012,0.0,53.4185371398926,5.20675182342529,135.220001220703,-1.20979285240173,65.89990234375,0.0,-0.0495633333921432,1.36602544784546,1.0,14.1782999038696,0.240740740740741,1035.3017578125,11.7683525085449,0.410289227962494,0.0,480.977020263672,0.655428171157837,7.1504,6.47599363327026,-0.405217409133911,0.0,12.9707698822021,0.0900684148073196,47.9925193786621,0.0,219.49870300293,9.18268394470215,0.00338905141688883,747.060607910156,12.594898223877,1704.87109375,0.018142132088542,13.0,2569.005859375,16.6603031158447,0.0809080600738525,0.0,46.3491744995117,1794.0,3.86987400054932,6.05078554153442,0.39394474029541,4.62934112548828,2.77600002288818,0.0,5.17037343978882,4.0,142.08,9.0,18.5562133789062,0.416666656732559,467.306396484375,0.0,20.0,1.77920365333557,0.0,11.2753019332886,0.489859610795975,341.597106933594,-1606.98193359375,29.5560646057129,0.143186122179031,0.0869698524475098,3963.3212890625,198.2655,117.222282409668,2.14458537101746,-65.8355560302734,17.9908847808838,0.0,0.0646305605769157,103.472106933594,0.552463829517365,13.9675970077515,0.170461356639862,2.0,0.376815944910049,4.0,0.378339022397995,9.73105144500732,0.0857325345277786,6.65281009674072,15.1756992340088,4.62295722961426
InChI%3D1S%2FC5H12NO4P%2Fc1-11%289%2C10%293-2-4%286%295%287%298%2Fh4H%2C2-3%2C6H2%2C1H3%2C%28H%2C7%2C8%29%28H%2C9%2C10%29,0.347608089447021,0.153764322400093,7.3304386138916,3.0,1.0,0.0,169.031997680664,0.500431180000305,0.0,0.0,0.238860666751862,1.14390313625336,20.1082782745361,-0.34190246462822,1.40845131874084,139.767196655273,320.873901367188,1.44626295566559,18.8585510253906,-218.245910644531,334.27685546875,5.63370561599731,4.77808427810669,19.4526996612549,-42.1041831970215,390.214263916016,14.1803245544434,296.321807861328,11.9146118164062,0.0,4.0,0.618087828159332,0.527174532413483,374.059997558594,0.965141654014587,30.973762512207,4.13265306122449,0.0507433712482452,6.4,0.81649661064148,202.070739746094,0.447213590145111,-2.27539992332458,11.9887399673462,0.499568819999695,0.5,82.7815780639648,0.557343363761902,1.35000002384186,129.263107299805,0.381912171840668,0.0,6.79614782333374,2.12969565391541,110.430000305176,-0.596354305744171,21.8544845581055,0.0,-0.115049168467522,0.235702261328697,1.0,0.99401694536209,0.4,183.141220092773,0.849679350852966,0.192137390375137,0.0,13.8064975738525,0.424832373857498,-2.3629,0.0,-0.145805135369301,1.0,7.51550626754761,-0.0699492841959,2.14913988113403,1.0,30.2665996551514,1.95710682868958,0.0819326117634773,226.199661254883,1.2663459777832,28.8350601196289,-0.0518928803503513,4.0,353.209869384766,1.49401688575745,0.156048387289047,0.0,18.5703907012939,96.0,0.600189387798309,3.17628955841064,0.423946797847748,0.415953755378723,-3.4210000038147,0.0,0.436566859483719,11.0,114.88,5.0,4.13265323638916,0.0,51.1501579284668,0.0,3.0,1.44224953651428,0.0,6.40000009536743,0.0,86.4324722290039,-79.8707656860352,6.45099401473999,0.0,0.218828082084656,571.455749511719,39.7369,182.825637817383,0.78572165966034,-15.4087352752686,3.6778712272644,0.0,0.0866458714008331,60.6745758056641,0.824596881866455,3.14623141288757,0.0,2.0,0.0215165745466948,2.0,0.464972794055939,1.44459998607635,0.176452904939651,0.691696107387543,5.17744493484497,0.470166146755219
InChI%3D1S%2FC12H8Cl6O%2Fc13-8-9%2814%293-1-4-5%282%283%297-6%281%2919-7%2911%289%2C16%2912%2817%2C18%2910%284%2C8%2915%2Fh1-8H,0.222841307520866,8.11858654022217,,1.0,15.1073951721191,0.0,372.848990440369,,6.17511653900146,0.0,,,66.0509872436523,-0.368348956108093,,,2594.73486328125,,36.3746070861816,,3702.02880859375,,,83.6529998779297,,7049.88916015625,157.730728149414,6667.2470703125,121.165084838867,0.0,0.0,,,682.070007324219,,34.9739608764648,2.16659725114536,,0.532778355879292,0.0,3439.91674804688,0.0,2.18950009346008,11.9985237121582,,0.333333343267441,,,2.00999999046326,,,6.0,,3.24059462547302,,,13.1816558837891,0.0,,2.95951294898987,0.5,10.4902906417847,0.0,,9.641770362854,,0.0,,0.448498070240021,3.6169,6.49593925476074,-0.0744523406028748,0.0,15.3964710235596,-0.0909023880958557,0.0,0.0,72.0134963989258,10.9981689453125,-0.083433449268341,,21.5813236236572,,0.00487554026767612,0.0,,39.3119506835938,,1.0,,218.0,12.5450944900513,6.58268308639526,,24.64528465271,3.62100005149841,0.332731068134308,45.2098960876465,0.0,12.53,1.0,2.16659736633301,1.81926953792572,,0.299524575471878,0.0,0.0,0.0,0.556454539299011,5.06830549240112,,,13.8304109573364,1.60615527629852,,,75.941,,3.49854326248169,,8.82083415985107,0.0,0.431528240442276,,,10.5929927825928,4.93665933609009,0.0,3.65404272079468,0.0,,11.8798761367798,,10.7377500534058,4.79391002655029,9.60616397857666
InChI%3D1S%2FC9H7NO%2Fc11-8-5-1-3-7-4-2-6-10-9%287%298%2Fh1-6%2C11H,0.155511900782585,0.288767278194427,7.00083255767822,2.0,2.38110160827637,7.0,138.104996681213,0.757273375988007,0.136331960558891,0.0,0.224197134375572,2.0573562409254e-08,12.1344566345215,-0.358216941356659,2.57446622848511,114.225296020508,590.447570800781,1.48333430290222,12.6644620895386,-96.6865921020508,676.504638671875,14.2684440612793,4.42636632919312,17.1627388000488,-19.0277309417725,898.187866210938,16.7162055969238,784.773254394531,10.1624612808228,0.0,0.0,0.666664004325867,8.78074836730957,251.020004272461,0.564301192760468,15.9949178695679,3.1640625,0.0590065494179726,1.45124716553288,0.0,408.595733642578,0.0,0.524800002574921,11.9884614944458,0.242726609110832,0.400000005960464,78.2829437255859,0.538959980010986,2.23000001907349,66.2630004882812,0.333335995674133,0.0,6.92883729934692,0.538451671600342,,-0.282153964042664,8.97244930267334,0.0,-0.0555273480713367,0.164266422390938,0.666666686534882,3.25998306274414,0.0,259.497253417969,2.51337766647339,0.367737174034119,0.0,11.3955307006836,0.139180034399033,1.9404,0.810480415821075,-0.0531811341643333,6.28816270828247,8.81666374206543,-0.05316162109375,8.30252838134766,0.0,48.4634017944336,1.44017744064331,0.0537345707416534,228.447845458984,2.34362530708313,18.3963642120361,-0.0138701153919101,0.0,193.370849609375,3.03280854225159,2.93873059220573e-09,0.0,20.2199592590332,99.0,0.427669137716293,5.16640186309814,0.496417254209518,0.560443699359894,0.582000017166138,0.0,0.575951874256134,0.0,33.12,1.0,3.1640625,0.151374712586403,39.1419410705566,0.0,11.0,0.0,0.0,1.451247215271,0.27130451798439,114.222549438477,-33.1318969726562,5.85852861404419,0.0455728359520435,0.423157691955566,290.057434082031,43.4078,83.1758880615234,0.203784748911858,-6.52029275894165,3.40477132797241,0.0,0.0,39.2476921081543,0.845885992050171,2.35225987434387,0.0585863515734673,1.0,0.0330676548182964,0.0,0.447957038879395,1.6114194393158,0.257407873868942,1.08810913562775,0.275415033102036,0.688445866107941
InChI%3D1S%2FC20H32N2O3S%2Fc1-6-8-13-22%2814-9-7-2%2926-21%285%2919%2823%2924-17-12-10-11-16-15-20%283%2C4%2925-18%2816%2917%2Fh10-12H%2C6-9%2C13-15H2%2C1-5H3,0.355867147445679,1.45630633831024,20.0885772705078,6.0,3.14734530448914,5.0,348.297993659973,0.947399318218231,0.880886435508728,0.0,0.254472017288208,1.88524770736694,35.1711349487305,-0.357665508985519,4.69116258621216,118.021820068359,1804.31591796875,1.47600197792053,33.5521278381348,-209.691833496094,2036.77319335938,0.0323376506567001,13.5121669769287,48.5775451660156,-12.4557409286499,2716.19311523438,48.7147789001465,2633.35693359375,44.4380416870117,0.333333343267441,11.0,0.828846633434296,0.642369091510773,2831.06005859375,1.47262907028198,31.9720726013184,10.518626734843,0.0299809593707323,6.84297520661157,8.29400444030762,2486.84521484375,3.66860318183899,0.671299993991852,11.9966526031494,0.0526006817817688,0.461538463830948,394.119384765625,0.51215535402298,3.0,700.240112304688,0.171153381466866,0.0,14.2560482025146,2.35205149650574,,-0.304091781377792,46.012622833252,0.0,-0.0180631186813116,0.302749425172806,0.857142865657806,6.59945154190063,0.407407407407407,653.295837402344,5.44810819625854,0.233523890376091,0.0,97.7055587768555,0.504750072956085,5.2961,2.35743975639343,-0.359530836343765,9.3908166885376,11.4770097732544,0.168061748147011,8.84151935577393,0.0,106.582000732422,3.76538276672363,-0.08365797996521,571.545715332031,5.82337999343872,237.295791625977,0.001594407716766,11.0,1015.47723388672,8.36481475830078,0.093846745789051,2.0,20.6738967895508,551.0,1.98592889308929,5.37713670730591,0.497930854558945,2.76845836639404,4.70800018310547,0.0833333358168602,3.27676630020142,15.0,67.31,3.0,10.518627166748,0.341746121644974,81.3840179443359,0.0360843911767006,11.0,0.0,1.0,6.84297513961792,0.58547580242157,453.523895263672,-144.5966796875,17.5257148742676,0.135100573301315,0.18924942612648,1225.16906738281,107.62,36.2717247009277,1.64336168766022,-8.58907508850098,10.2846794128418,0.63245552778244,0.144337564706802,33.129638671875,0.828975439071655,8.59356117248535,0.190714806318283,0.0,0.0785050094127655,1.0,0.465915739536285,5.25954675674438,0.200254559516907,3.76683783531189,0.450643688440323,2.75987672805786
InChI%3D1S%2FC19H30O5%2Fc1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18%2823-15-24-19%2912-16%2817%296-4-2%2Fh12-13H%2C3-11%2C14-15H2%2C1-2H3,0.15946426987648,0.97466778755188,20.0398807525635,5.0,3.30192732810974,4.0,308.203991889954,0.88009786605835,0.5744309425354,0.0,0.283022969961166,1.34846448898315,27.8723449707031,-0.378762751817703,4.44912719726562,124.789985656738,1229.59497070312,1.44373798370361,28.3209190368652,-269.181427001953,1352.02099609375,1.75804543495178,14.2422885894775,34.0953903198242,-29.4709091186523,1695.08544921875,32.8735809326172,1634.99267578125,30.9851036071777,1.78301441669464,13.0,0.815522313117981,0.443470031023026,2473.05004882812,1.75914323329926,15.9989385604858,12.3688888888889,0.0384317636489868,7.42439737034332,3.93795084953308,1428.64172363281,1.04504311084747,-1.27579998970032,11.8900003433228,0.119902104139328,0.5,373.170684814453,0.48851203918457,3.0,804.957336425781,0.18447770178318,0.0,17.5857944488525,0.666666686534882,46.1500015258789,-0.397932350635529,42.3762092590332,0.0,-0.0435670018196106,0.16666667163372,1.0,5.86873388290405,0.52,595.342407226562,4.37867212295532,0.222013667225838,0.0,88.5704650878906,0.837394177913666,3.7177,2.29109382629395,-0.519023835659027,14.9108333587646,9.76204872131348,-0.0902837142348289,11.9529457092285,0.0,93.1712036132812,1.79911375045776,0.398305952548981,551.660217285156,2.95090103149414,194.05680847168,-0.283496201038361,13.0,1189.97277832031,3.88759779930115,0.0672890469431877,5.0,25.9971752166748,644.0,0.736499011516571,5.0154275894165,0.517014861106873,1.02304577827454,3.28099989891052,0.117851130664349,1.18211340904236,12.0,46.15,3.0,12.3688888549805,0.222222223877907,84.4142150878906,0.0294627826660872,8.0,0.0,0.0,7.42439746856689,0.312285453081131,426.870239257812,-182.087829589844,14.9741163253784,0.0548540242016315,0.175373822450638,1459.15417480469,92.762,81.1078033447266,0.321975260972977,-19.9356021881104,8.99367046356201,0.0,0.0,55.4680824279785,0.830688774585724,5.85506391525269,0.0733043998479843,0.0,0.0555555559694767,0.0,0.438211113214493,3.85796165466309,0.07382932305336,2.53094530105591,1.62766563892365,1.64000129699707
InChI%3D1S%2FC19H26O3%2Fc1-7-8-13-12%284%2916%2810-15%2813%2920%2922-18%2821%2917-14%289-11%282%293%2919%2817%2C5%296%2Fh7%2C9%2C14%2C16-17H%2C1%2C8%2C10H2%2C2-6H3,0.266077667474747,0.970782160758972,16.1728630065918,3.0,9.35554885864258,3.0,276.205992698669,0.886243462562561,0.482651710510254,0.0,0.216402888298035,1.64357173442841,24.3234062194824,-0.307410895824432,4.47186422348022,189.959899902344,1442.08056640625,1.45028018951416,24.3283672332764,-290.041137695312,1700.81274414062,0.0,10.0574264526367,34.7670211791992,-28.6402797698975,2239.48461914062,34.6530113220215,2048.52514648438,35.4274826049805,0.0,6.0,0.720034062862396,0.328718990087509,1939.03002929688,1.09938716888428,15.9969291687012,6.85714285714286,0.0315254367887974,3.44047080126754,4.64490032196045,1889.79028320312,10.9791650772095,3.57159996032715,11.8900003433228,0.1137565523386,0.5,331.486968994141,0.577396631240845,3.22000002861023,506.132354736328,0.279965966939926,0.0,14.5135793685913,2.4996120929718,43.3699989318848,-0.427467286586761,32.2553825378418,0.0,-0.0422105044126511,0.55313503742218,1.0,6.13484001159668,0.260869565217391,601.32568359375,4.42717266082764,0.276504188776016,0.0,68.8553771972656,0.401483088731766,4.002,1.5067173242569,-0.188872843980789,1.44224953651428,9.98676204681396,0.0511606745421886,9.47784423828125,0.0,88.9957962036133,4.51125478744507,-0.138853892683983,488.550811767578,6.90394163131714,158.948608398438,0.122402802109718,6.0,745.945983886719,8.90266704559326,0.10162528604269,1.0,21.3903465270996,413.0,2.7825973033905,5.10097217559814,0.501283407211304,3.17688488960266,3.71399998664856,0.574761152267456,3.44731330871582,4.0,43.37,3.0,6.85714292526245,1.19974839687347,128.889831542969,0.458260327577591,4.0,0.16666667163372,0.0,3.75308632850647,1.58842551708221,298.590911865234,-196.796020507812,14.232816696167,0.636521816253662,0.201241239905357,1035.98718261719,87.21,77.1850357055664,1.81525766849518,-19.4327354431152,7.88996887207031,0.70710676908493,0.16666667163372,50.0306243896484,0.69714480638504,7.2760329246521,0.700114965438843,0.0,0.311660498380661,2.0,0.371600151062012,4.78406667709351,0.174209371209145,3.14935350418091,12.756326675415,2.0194628238678
InChI%3D1S%2FC10H14Cl6N4O2%2Fc11-9%2812%2C13%297%2817-5-21%2919-1-2-20%284-3-19%298%2818-6-22%2910%2814%2C15%2916%2Fh5-8H%2C1-4H2%2C%28H%2C17%2C21%29%28H%2C18%2C22%29,0.329573392868042,0.90849369764328,12.5274124145508,4.0,0.200000002980232,0.0,420.85399055481,0.75297224521637,0.776970624923706,0.0,0.273887991905212,1.65059542655945,71.2654113769531,-0.351693719625473,2.12620234489441,368.446563720703,1793.91076660156,1.42819905281067,36.0364608764648,-888.919494628906,2062.84008789062,5.62163352966309,8.75061416625977,93.1433334350586,-60.7701377868652,2824.90795898438,64.3285522460938,2818.267578125,73.8994979858398,0.0,6.0,0.379441410303116,0.0,834.119995117188,0.915445804595947,34.9739608764648,8.203125,0.0430677905678749,5.8641975308642,0.0,2660.89453125,0.0,2.3024001121521,11.9985313415527,0.24702775478363,0.454545468091965,133.76057434082,0.514202117919922,1.24000000953674,322.712677001953,0.620558619499207,6.0,15.1822443008423,3.30108642578125,,-1.49716866016388,24.424898147583,0.142857149243355,-0.102352522313595,0.82495790719986,0.833333313465118,5.32336950302124,0.272727272727273,447.065002441406,4.01865530014038,0.169723987579346,2.0,36.5588035583496,0.807415962219238,3.4734,1.57543420791626,-0.551313102245331,4.58965730667114,12.2414646148682,-0.0600395575165749,4.25379085540771,0.0,92.5983963012695,4.30562496185303,0.464929014444351,225.287139892578,6.83442640304565,79.7964935302734,-0.301689743995667,6.0,543.531005859375,8.95526027679443,0.131758689880371,0.0,25.5707988739014,368.0,3.22429609298706,4.50638914108276,0.507962107658386,4.90218544006348,3.22199988365173,0.0,5.57879543304443,8.0,74.06,6.0,8.203125,0.0833333358168602,218.759124755859,0.0,3.0,0.090909093618393,0.0,5.86419773101807,0.096225045621395,-143.159408569336,-527.781433105469,15.6244707107544,0.0500000007450581,0.145358383655548,1432.45043945312,91.0294,146.668701171875,4.0584545135498,-36.0812797546387,8.30953311920166,0.0,0.841697573661804,86.340934753418,0.753067851066589,9.16946220397949,0.0577350258827209,2.0,0.50311952829361,0.0,0.406034827232361,4.21295833587646,0.125199198722839,3.29059624671936,5.3010458946228,2.07146501541138
InChI%3D1S%2FC14H24NO4PS3%2Fc1-12%282%2918-20%2821%2C19-13%283%294%2922-11-10-15-23%2816%2C17%2914-8-6-5-7-9-14%2Fh5-9%2C12-13%2C15H%2C10-11H2%2C1-4H3,0.24059484899044,2.92942762374878,18.394157409668,7.0,0.47247040271759,6.0,373.331998825073,0.845520615577698,1.95559465885162,1.0,0.232057869434357,2.65668272972107,50.4915390014648,-0.31956285238266,3.91474342346191,207.339218139648,1752.31420898438,1.50877296924591,51.0366020202637,-363.873321533203,1942.80236816406,1.08559620380402,11.8227310180664,64.7498016357422,-26.0120983123779,2543.615234375,57.0192337036133,2441.67797851562,61.1504821777344,0.5,10.0,0.694746255874634,2.6629478931427,1703.08996582031,1.21925616264343,31.9740772247314,9.474609375,0.0321144387125969,8.08080808080808,3.15294861793518,2293.203125,3.37373065948486,1.50629997253418,11.8500003814697,0.154479384422302,0.5,320.528839111328,0.544789433479309,2.00999999046326,562.517272949219,0.305253744125366,0.0,14.8163499832153,2.93808770179749,140.210006713867,-0.535710036754608,43.5449676513672,0.0,-0.0382961332798004,0.348461717367172,1.0,5.47923421859741,0.434782608695652,574.307739257812,3.17033576965332,0.212825372815132,0.0,88.0924301147461,0.473808616399765,5.504,1.1878776550293,-0.322112530469894,7.54321908950806,12.5475435256958,0.221353486180305,4.20838594436646,1.0,106.682998657227,3.78741121292114,-0.109405919909477,471.896392822266,6.46712684631348,229.445724487305,-0.14921361207962,10.0,828.162231445312,6.43130207061768,0.144430801272392,2.0,21.8132705688477,441.0,4.39034080505371,5.93981695175171,0.504582762718201,8.5475435256958,3.31399989128113,0.0,7.79833030700684,17.0,140.21,5.0,9.474609375,0.102062076330185,140.832183837891,0.0,10.0,0.5,1.0,8.08080768585205,0.0510310381650925,264.557159423828,-247.155731201172,16.746898651123,0.0320750139653683,0.181520789861679,1192.03552246094,101.0857,104.92790222168,3.12832951545715,-17.6683444976807,12.3679504394531,0.571428596973419,0.371539771556854,47.8253707885742,0.83577811717987,12.6274166107178,0.0278125647455454,0.0,0.0830857455730438,2.0,0.459400773048401,8.74738883972168,0.13701120018959,7.94208669662476,2.26893973350525,4.06097221374512
InChI%3D1S%2FC2H2Cl2%2Fc1-2%283%294%2Fh1H2,0.201657861471176,0.0,2.42800378799438,0.0,0.0,0.0,94.9279975891113,1.0,0.0,0.0,0.207124724984169,8.63997096089975e-10,19.4255065917969,-0.148938372731209,0.94813632965088,176.825103759766,162.377029418945,2.02095031738281,6.90347480773926,-48.8815460205078,136.303680419922,28.8183193206787,1.47986733913422,14.6162281036377,-18.0858840942383,101.137573242188,0.0,0.0,0.0,0.0,0.0,0.385452479124069,23.1741695404053,13.0200004577637,0.10655452311039,34.9701538085938,1.33333333333333,0.0363927260041237,0.0,0.0,0.0,1.0,1.68799996376038,11.998706817627,0.0,0.5,31.9115390777588,0.799564301967621,1.46000003814697,8.82162857055664,0.614547491073608,2.0,3.01294708251953,0.577350258827209,0.0,-0.169885560870171,3.0264139175415,0.0,-0.0628566592931747,0.0,1.0,0.0,0.0,287.732177734375,0.0,0.390500366687775,0.0,1.40311598777771,0.0571735762059689,1.9352,0.0,-0.0317894145846367,0.0,7.83088684082031,0.00320262531749904,0.0,0.0,20.460599899292,0.0,0.0,110.907089233398,0.0,3.83111977577209,0.0,0.0,30.6591644287109,0.0,3.55846685451411e-10,0.0,10.4713592529297,9.0,0.0,5.76896047592163,0.570684134960175,0.0,1.93299996852875,0.0,0.0,4.0,0.0,0.0,1.33333337306976,0.0,50.8782730102539,0.0,2.0,0.0,0.0,,0.0,-65.9180068969727,-14.064793586731,3.47489356994629,0.0,0.398324877023697,79.5407104492188,20.846,0.0,0.454568654298782,-5.20389080047607,1.48744678497314,0.0,0.0,28.557243347168,0.725713610649109,1.44464087486267,0.0,0.0,0.0,0.0,0.650701820850372,0.0,0.589040040969849,0.0,2.84934401512146,0.0
InChI%3D1S%2FC10Cl12%2Fc11-1-2%2812%297%2817%294%2814%293%2813%2C5%281%2C15%299%287%2C19%2920%296%281%2C16%2910%2821%2C22%298%282%2C4%2918,0.228884190320969,10.7297611236572,6.87090015411377,0.0,0.0,0.0,545.545986175537,1.0,7.26495933532715,0.0,0.0732738450169563,1.77187514305115,114.553039550781,-0.189675450325012,2.13744854927063,473.56787109375,4164.9453125,1.16490066051483,49.4208488464355,-853.66650390625,6187.4697265625,3.34200167655945,2.96157622337341,133.881103515625,-70.9697036743164,12246.8056640625,318.319915771484,13292.548828125,321.417358398438,0.0,0.0,0.0,0.0,214.119995117188,0.0,34.9799118041992,2.33333333333333,0.0,0.478710002519526,0.0,6848.66748046875,0.0,5.84999990463257,11.9985313415527,0.0,0.333333343267441,0.0,0.410150408744812,1.24000000953674,0.0,1.0,12.0,0.0,5.0,0.0,-1.80262756347656,5.03999996185303,0.0,-0.149861738085747,6.40625,0.5,13.75,0.0,473.56787109375,11.8125,0.311087131500244,0.0,15.3650522232056,0.602841317653656,6.223,6.140625,0.102716021239758,0.0,17.4356994628906,-0.126361042261124,0.0,0.0,92.3588027954102,19.625,-0.694082379341125,0.0,42.875,33.4523048400879,0.196705862879753,0.0,0.0,86.328125,0.257881075143814,0.0,0.0,232.0,23.7589130401611,9.8203125,0.401108771562576,53.3493461608887,6.35799980163574,0.875,110.983833312988,0.0,0.0,0.0,2.33333325386047,3.5625,224.266525268555,0.941946685314178,0.0,0.0,0.0,0.478709995746613,11.3125,-473.56787109375,-404.269012451172,18.6067218780518,4.06130933761597,0.0877137333154678,853.66650390625,97.546,0.0,5.75434112548828,-33.6089706420898,10.3033609390259,0.0,0.888375282287598,70.9697036743164,0.588476479053497,13.6068620681763,13.5892601013184,0.0,8.13638210296631,0.0,0.353641510009766,17.2899150848389,0.126115366816521,15.9015398025513,34.2224998474121,13.7587175369263
InChI%3D1S%2FC12H27OPS3%2Fc1-4-7-10-15-14%2813%2C16-11-8-5-2%2917-12-9-6-3%2Fh4-12H2%2C1-3H3,0.23543144762516,4.75669145584106,22.7057399749756,4.0,0.0,0.0,287.306000709534,0.955413699150085,2.57790398597717,0.0,0.347693175077438,0.93759572505951,41.8081436157227,-0.280452758073807,3.67339015007019,163.347702026367,1351.56762695312,1.45257651805878,41.0994491577148,-163.520278930664,1428.52685546875,7.72954368591309,18.0947532653809,53.7983322143555,-17.2924518585205,1628.00305175781,38.7608604431152,1614.37170410156,38.7608604431152,0.0,12.0,0.742256760597229,0.155428469181061,1577.05004882812,0.743040978908539,31.9740753173828,11.1111111111111,0.0205600280314684,9.679012345679,5.55088710784912,1500.91467285156,0.0,0.0366000011563301,11.8900003433228,0.0445863045752048,0.5,298.130065917969,0.544809341430664,2.23000001907349,298.445037841797,0.257743209600449,0.0,8.25800800323486,0.926776707172394,102.779998779297,-0.258015513420105,37.95458984375,0.0,-0.0272854287177324,0.0,1.0,2.78033018112183,0.75,605.504333496094,1.81066012382507,0.161782443523407,0.0,86.8788070678711,0.161327794194221,6.6944,0.640165030956268,-0.123489819467068,8.99300861358643,14.1772222518921,0.112704828381538,0.0,1.0,79.6408996582031,1.43566012382507,-0.0732213258743286,470.413726806641,2.03033018112183,171.905685424805,-0.00128925079479814,12.0,470.910705566406,1.88832521438599,0.0412933342158794,0.0,13.0301523208618,236.0,4.35928630828857,5.45664978027344,0.484873265028,6.61626863479614,5.35799980163574,0.0,6.42212295532227,17.0,102.78,1.0,11.1111106872559,0.0,103.523475646973,0.0,1.0,0.0,3.0,9.67901229858398,0.0,307.066009521484,-103.632850646973,14.117600440979,0.0,0.28009632229805,634.430969238281,89.7045,28.257080078125,2.46598482131958,-10.9592885971069,10.4593801498413,0.0,0.503367066383362,30.3226051330566,0.968055427074432,10.1684284210205,0.0,0.0,0.0,1.0,0.422893941402435,8.5757703781128,0.235120132565498,7.20456600189209,0.00133956002537161,5.49900245666504
InChI%3D1S%2FC5H8O2%2Fc1-3-5%286%297-4-2%2Fh3H%2C1%2C4H2%2C2H3,0.285360097885132,0.0,7.13775205612183,2.0,0.0,1.0,92.0529975891113,0.836742997169495,0.0,0.0,0.387045800685883,0.210754841566086,8.54893779754639,-0.31257238984108,0.864230692386627,99.6448287963867,200.170608520508,1.36950576305389,6.99627590179443,-70.4660263061523,184.141876220703,4.36751317977905,6.06276655197144,7.77074480056763,-17.9702816009521,172.791488647461,5.99627590179443,132.582962036133,3.33209204673767,0.0,3.0,0.726812422275543,3.40064716339111,154.020004272461,0.513981342315674,15.9959173202515,4.16666666666667,0.0355875007808208,3.84,2.0,74.7263870239258,0.81649661064148,0.862399995326996,11.789999961853,0.163257017731667,0.400000005960464,96.6963424682617,0.58952671289444,1.78999996185303,68.3809356689453,0.273187577724457,0.0,4.73462104797363,0.288675129413605,26.2999992370605,-0.193190559744835,11.6196556091309,0.0,-0.0492675602436066,0.0,0.666666686534882,0.696923434734344,0.5,305.200988769531,0.20412415266037,0.121078833937645,0.0,6.69952726364136,0.272876739501953,0.7355,0.0,-0.183973640203476,0.333333343267441,6.08470726013184,0.0750105679035187,1.41421353816986,0.0,26.3542995452881,0.492799282073975,-0.0217447988688946,265.103942871094,0.40824830532074,14.9415559768677,-0.00594064220786095,3.0,187.474060058594,0.20412415266037,0.0295267812907696,1.0,12.9804983139038,45.0,0.0680413842201233,3.96330833435059,0.513335287570953,0.0580769516527653,0.955999970436096,0.0,0.0240562614053488,7.0,26.3,2.0,4.16666650772095,0.0,36.345329284668,0.0,5.0,0.0,0.0,3.83999991416931,0.0,165.459121704102,-25.7023963928223,4.30806064605713,0.0,0.441959112882614,257.940093994141,26.83,59.5478019714355,0.0481125228106976,-6.55463838577271,2.10095357894897,0.5,0.0,30.9507808685303,0.741032481193542,0.956172466278076,0.0,0.0,0.0,1.0,0.266643792390823,0.453263133764267,0.403482526540756,0.201184466481209,0.743733763694763,0.0589255653321743
InChI%3D1S%2FC2H6O2%2Fc3-1-2-4%2Fh3-4H%2C1-2H2,0.0917550921440125,0.0,2.72589325904846,2.0,0.0,0.0,56.019998550415,0.516342282295227,0.0,0.0,0.186249747872353,0.390710473060608,5.54893827438354,-0.418353050947189,0.749622404575348,65.2450790405273,65.5588302612305,1.42568898200989,3.66418385505676,-51.3328475952148,52.427791595459,17.9701633453369,1.58556032180786,2.66418385505676,-25.6664237976074,31.4948768615723,1.77446901798248,11.8465032577515,0.0,0.0,1.0,0.754621744155884,9.73495292663574,69.0199966430664,0.593713521957397,15.9982576370239,3.0,0.0811401978135109,4.0,0.0,0.0,0.0,-0.89740002155304,11.9966878890991,0.483657717704773,0.333333343267441,53.3522529602051,0.648553967475891,1.46000003814697,41.9759368896484,0.245378240942955,0.0,5.73666524887085,0.0,40.4599990844727,-0.193056151270866,6.559241771698,0.0,-0.0965280756354332,0.0,0.5,0.0,0.333333333333333,137.293319702148,0.0,0.275000661611557,0.0,2.10095191001892,0.19018229842186,-1.029,0.0,-0.0475455746054649,1.0,4.58593988418579,-0.0950911492109299,0.0,0.0,14.5536003112793,0.0,0.0475455746054649,200.65087890625,0.0,5.29123258590698,0.0,1.0,157.866027832031,0.0,0.14333301782608,0.0,21.5748500823975,14.0,0.0,3.43122100830078,0.485584765672684,0.0,-1.20799994468689,0.0,0.0,4.0,40.46,2.0,3.0,0.0,17.3484020233154,0.0,0.0,0.333333343267441,0.0,4.0,0.0,135.405792236328,-13.6491966247559,2.30864071846008,0.0,0.5,209.198867797852,14.1716,128.602630615234,0.0,-6.82459831237793,1.13245558738708,0.0,0.0,47.2412757873535,0.55115020275116,0.447213590145111,0.0,2.0,0.0,0.0,0.291550278663635,0.100000001490116,0.266700953245163,0.0,0.805326759815216,0.0
InChI%3D1S%2FC17H17N3O3%2Fc1-9%282%2917%283%2916%2823%2919-14%2820-17%2913-11%2815%2821%2922%298-10-6-4-5-7-12%2810%2918-13%2Fh4-9H%2C1-3H3%2C%28H%2C21%2C22%29%28H%2C19%2C20%2C23%29,0.363693624734879,0.968025505542755,17.3330821990967,5.0,9.74804782867432,7.0,294.204993247986,0.724652349948883,0.575622916221619,0.0,0.302684903144836,0.717173039913177,26.4033718109131,-0.330943763256073,3.8429319858551,232.890258789062,1591.98449707031,1.29441428184509,26.99338722229,-461.060791015625,1917.74536132812,3.44047594070435,12.7729768753052,42.3460502624512,-41.3229789733887,2850.841796875,46.259937286377,2884.02856445312,40.2596130371094,0.0,3.0,0.62732607126236,1.02354168891907,1258.06005859375,1.241938829422,16.0061473846436,6.71883656509695,0.0426858849823475,3.25443786982249,1.83213186264038,2399.91796875,5.64735412597656,0.0623000003397465,11.9884510040283,0.275347650051117,0.5,244.984176635742,0.574997782707214,2.67000007629395,485.003540039062,0.372673898935318,0.0,16.6697463989258,2.29106426239014,,-0.737795233726501,23.8005199432373,1.14471423625946,-0.0661255493760109,1.17717695236206,1.0,6.96611356735229,0.12,452.847595214844,5.64990139007568,0.221710830926895,1.0,61.0021629333496,0.537229537963867,0.653800000000002,3.04514098167419,-0.279238075017929,5.08567523956299,10.8114433288574,0.00550627941265702,11.0745363235474,0.0,87.6526031494141,6.05150079727173,0.0419515334069729,392.026733398438,8.25958824157715,113.538177490234,-0.178618982434273,3.0,776.108703613281,10.9515066146851,0.0413759686052799,0.0,26.6751365661621,380.0,2.66414952278137,4.57598543167114,0.402027994394302,2.55706739425659,1.49199998378754,0.0833333358168602,2.59386992454529,3.0,94.48,6.0,6.71883678436279,0.401780605316162,145.537094116211,0.0279508493840694,18.0,0.650697648525238,0.0,3.2544379234314,0.722153306007385,159.136489868164,-288.124725341797,13.122239112854,0.113389797508717,0.165490463376045,1237.16955566406,79.3201,172.069427490234,1.19766139984131,-25.8234329223633,7.37435865402222,0.0,0.0721687823534012,67.9981155395508,0.787394285202026,6.1300048828125,0.170629993081093,1.0,0.486524313688278,2.0,0.317388504743576,4.36907386779785,0.147938370704651,2.50796866416931,0.00388129008933902,1.6502298116684
InChI%3D1S%2FC12H20N4O2%2Fc1-14%282%2910-13-11%2817%2916%2812%2818%2915%2810%293%299-7-5-4-6-8-9%2Fh9H%2C4-8H2%2C1-3H3,0.287898898124695,0.83457738161087,14.5428953170776,4.0,2.67269611358643,0.0,232.157995223999,0.85678118467331,0.564530789852142,0.0,0.341443091630936,1.26866567134857,20.9888896942139,-0.280829101800919,1.80583655834198,115.027931213379,1162.88208007812,1.44510996341705,21.4922218322754,-186.856887817383,1353.41906738281,0.213732734322548,11.4683933258057,31.3461742401123,-17.8017101287842,1889.72033691406,34.9836082458496,1971.0439453125,33.5076141357422,0.0,2.0,0.783012807369232,0.656685173511505,1375.06005859375,1.2719634771347,15.995924949646,5.96982167352538,0.0349395126104355,2.96296296296296,2.13494205474854,1632.7919921875,3.53277564048767,-1.19599997997284,11.99338722229,0.143218785524368,0.444444447755814,220.042846679688,0.604779303073883,2.11999988555908,357.448150634766,0.216987207531929,0.0,9.81872844696045,1.36779630184174,,-0.352484405040741,32.5665550231934,0.0,-0.0335809141397476,0.524034321308136,0.800000011920929,5.35200119018555,0.105263157894737,454.191619873047,4.05395364761353,0.124173112213612,0.0,37.5506019592285,0.514278054237366,0.513199999999999,1.56949508190155,-0.511246204376221,6.08364343643188,10.1834526062012,0.637030243873596,5.90705013275146,0.0,58.717098236084,3.42854905128479,-0.697890937328339,415.085968017578,5.68945217132568,78.3676223754883,0.460870683193207,2.0,674.285522460938,8.391921043396,0.087236113846302,0.0,18.5219211578369,253.0,1.4089457988739,5.23080110549927,0.37867271900177,1.9582142829895,0.925999999046326,0.0,2.30806422233582,3.0,60.13,6.0,5.96982145309448,0.1474229991436,60.9779090881348,0.0,7.0,0.25,0.0,2.96296286582947,0.247386604547501,300.058044433594,-99.055435180664,11.3483715057373,0.116495832800865,0.172782838344574,861.142395019531,70.187,75.9222717285156,0.725150883197784,-9.43693351745605,6.55047798156738,0.0,0.0,36.3236312866211,0.90916758775711,5.34208583831787,0.0866507217288017,0.0,0.167408898472786,2.0,0.461657971143723,3.77502131462097,0.176959216594696,2.77497601509094,1.43041598796844,1.87325382232666
InChI%3D1S%2FC15H17ClN4%2Fc1-2-3-8-15%289-17%2C10-20-12-18-11-19-20%2913-4-6-14%2816%297-5-13%2Fh4-7%2C11-12H%2C2-3%2C8%2C10H2%2C1H3,0.128447934985161,1.13809013366699,12.0125780105591,3.0,0.333333343267441,5.0,271.645994186401,0.872348725795746,0.621197819709778,0.0,0.0720609426498413,1.91269958019257,29.1527061462402,-0.289546310901642,4.9415020942688,210.986358642578,1395.13159179688,1.2015255689621,24.308837890625,-328.967498779297,1603.38793945312,2.78282022476196,5.15837621688843,33.4543762207031,-33.998779296875,2179.7978515625,33.2329559326172,2161.46142578125,32.9735794067383,0.0,6.0,0.671298921108246,1.29723024368286,1384.05004882812,1.04668152332306,34.9688529968262,7.85204081632653,0.037274282425642,4.25,2.45190572738647,2056.40014648438,0.31622776389122,-0.025900000706315,11.8500003814697,0.127651244401932,0.444444447755814,276.580993652344,0.437371075153351,2.55999994277954,431.241912841797,0.328701108694077,1.0,15.3573303222656,1.24692618846893,,-0.51250696182251,26.0173473358154,0.5,-0.0529675744473934,0.216506347060204,0.800000011920929,5.27333498001099,0.285714285714286,559.9423828125,3.87280654907227,0.411360681056976,0.0,44.8081588745117,0.292600810527802,3.58328,1.68101370334625,-0.134140655398369,15.7085065841675,12.3196926116943,-0.00453827995806932,7.76046514511108,0.0,82.5363006591797,2.98497295379639,-0.0465527698397636,430.892700195312,4.78946590423584,105.57568359375,0.0805032402276993,6.0,671.842956542969,5.70177936553955,0.15922474861145,0.0,23.9255828857422,291.0,1.53884994983673,5.25890874862671,0.432114660739899,2.09057855606079,2.38000011444092,0.144337564706802,2.25679206848145,8.0,54.5,4.0,7.85204076766968,0.185395404696465,135.427719116211,0.0559016987681389,6.0,0.0,0.0,4.25,0.176031038165092,219.906341552734,-211.157348632812,12.5803623199463,0.067306250333786,0.185629174113274,1000.81042480469,78.29,81.9366607666016,0.810895681381226,-21.8231029510498,7.44285678863525,0.0,0.0625,57.9243583679199,0.533372223377228,5.68174505233765,0.0651501640677452,0.0,0.100592233240604,0.0,0.332039833068848,4.01101112365723,0.091624528169632,2.6960437297821,0.000670809997245669,1.83616948127747
InChI%3D1S%2FC11H15NO3%2Fc1-8%282%2914-9-6-4-5-7-10%289%2915-11%2813%2912-3%2Fh4-8H%2C1-3H3%2C%28H%2C12%2C13%29,0.283412516117096,0.280906409025192,11.4185476303101,4.0,2.52506470680237,6.0,194.124995231628,0.848647713661194,0.140148222446442,,0.164391607046127,0.803143262863159,17.6833953857422,-0.340509951114655,4.30640411376953,140.712921142578,714.447998046875,1.41912126541138,16.9928302764893,-201.418441772461,777.054504394531,2.3094003200531,6.30900049209595,22.8739528656006,-20.3087310791016,975.557006835938,21.2652988433838,925.726928710938,19.3249225616455,0.333333343267441,4.0,0.710740804672241,0.560295403003693,690.039978027344,1.01736426353455,15.9969244003296,6.55401662049861,0.0388344116508961,4.57142857142857,2.27924919128418,807.041687011719,3.67871379852295,0.643100023269653,11.8900003433228,0.151352271437645,0.5,168.191787719727,0.498416185379028,2.23000001907349,240.752059936523,0.289259225130081,0.0,9.1898889541626,1.03025674819946,51.0499992370605,-0.414049655199051,21.5501041412354,0.0,-0.0417480319738388,0.0833333358168602,1.0,3.19405055046082,0.266666666666667,412.832824707031,2.59349179267883,0.377141118049622,1.0,35.6947937011719,0.423531085252762,2.3964,0.910551369190216,-0.318206131458282,3.96540641784668,8.80163097381592,0.129867836833,5.91147565841675,,61.6697998046875,1.59060096740723,0.0344964899122715,345.746673583984,2.25120639801025,68.9340286254883,-0.14877849817276,4.0,494.906585693359,3.15562224388123,0.0703367218375206,,18.8913726806641,181.0,0.426767140626907,4.71490955352783,0.427237182855606,0.534531712532043,2.27300000190735,0.0,0.584307789802551,5.0,51.05,2.0,6.55401659011841,0.0833333358168602,68.4511489868164,0.0,11.0,0.0,,4.57142877578735,0.117851130664349,205.033752441406,-97.98193359375,9.09767532348633,0.0277777779847383,0.237805634737015,696.325012207031,58.8218,73.6267700195312,0.394378215074539,-9.8793773651123,4.72455263137817,0.63245552778244,0.0,39.2001037597656,0.747979700565338,3.22158408164978,0.0226804614067078,,0.0138888889923692,,0.493467897176743,1.60436177253723,0.197957754135132,1.02977311611176,0.413577616214752,0.661624610424042
InChI%3D1S%2FC15H11ClO3%2Fc1-19-14%2817%2915%2818%2912-5-3-2-4-10%2812%2911-7-6-9%2816%298-13%2811%2915%2Fh2-8%2C18H%2C1H3,0.302800387144089,1.22985076904297,9.82001686096191,3.0,6.9158091545105,8.0,263.614993095398,0.807063341140747,0.742888212203979,0.0,0.158887103199959,1.34155893325806,29.0361614227295,-0.370968580245972,3.12475347518921,262.51611328125,1419.07263183594,1.12760519981384,24.2801055908203,-380.713439941406,1752.99621582031,6.23467302322388,5.35370397567749,38.3384017944336,-39.8108749389648,2705.52270507812,45.4412422180176,2844.12768554688,42.2206687927246,0.0,2.0,0.476002722978592,0.0787770226597786,682.039978027344,0.690321922302246,34.9688529968262,5.080078125,0.0326866135001183,2.0,1.17609488964081,2330.67895507812,1.46086823940277,1.65910005569458,11.8500003814697,0.192936673760414,0.428571432828903,119.471237182617,0.400042325258255,2.67000007629395,173.262908935547,0.523997247219086,1.0,8.20396518707275,1.59689211845398,46.5299987792969,-0.759925901889801,15.3192768096924,0.0,-0.0794647932052612,0.80625718832016,0.75,6.52194881439209,0.0952380952380952,404.328704833984,5.64978790283203,0.318202465772629,0.0,28.1033554077148,0.411497235298157,2.7293,2.8076286315918,-0.200779139995575,7.31527996063232,11.4140119552612,-0.0584108382463455,15.8463182449341,0.0,78.603401184082,4.68410158157349,0.111133985221386,238.471466064453,8.30232620239258,60.3663177490234,-0.0547018684446812,2.0,345.842712402344,12.9808511734009,0.136614739894867,1.0,16.3755874633789,231.0,1.65993511676788,4.9603476524353,0.483165293931961,2.54178547859192,1.20799994468689,0.0555555559694767,3.3627781867981,4.0,46.53,3.0,5.080078125,0.3961401283741,131.517318725586,0.03125,12.0,0.333333343267441,0.0,2.0,0.838492631912231,-24.0446624755859,-190.732711791992,10.9390554428101,0.153603240847588,0.255750954151154,726.55615234375,71.9028,96.6588821411133,0.749529123306274,-19.9447536468506,6.17243432998657,0.81649661064148,0.0279508493840694,56.1864624023438,0.810883283615112,4.87391710281372,0.269987106323242,1.0,0.192184686660767,1.0,0.244397565722466,3.69433355331421,0.208745092153549,2.76896333694458,2.75261282920837,2.05566787719727
InChI%3D1S%2FC2H3ClO2%2Fc3-1-2%284%295%2Fh1H2%2C%28H%2C4%2C5%29,0.279844343662262,0.0,2.83423829078674,1.0,0.0,0.0,91.4729976654053,0.556254804134369,0.0,0.0,0.242279380559921,0.311676919460297,14.2616920471191,-0.330229640007019,0.662245273590088,171.531692504883,118.837448120117,1.45279133319855,6.61592149734497,-129.803176879883,103.28035736084,16.8634986877441,1.860316157341,7.39039039611816,-39.8703880310059,86.870964050293,7.86397123336792,36.3786201477051,0.0,0.0,1.0,0.515971601009369,6.54721260070801,29.0300006866455,0.390451192855835,34.9693794250488,2.25,0.0762437582015991,4.0,0.0,0.0,0.0,0.302700012922287,11.998706817627,0.443745195865631,0.333333343267441,64.7996826171875,0.662461876869202,1.35000002384186,49.0358657836914,0.484028369188309,1.0,9.5752773284912,0.40824830532074,37.2999992370605,-0.366278767585754,4.65762090682983,0.0,-0.112506315112114,0.0,0.5,0.0,0.25,197.127548217773,0.0,0.233658999204636,0.0,2.01820969581604,0.270549327135086,-1.0249,0.0,-0.091614805161953,0.0,6.23029804229736,-0.104217812418938,1.0,0.0,17.396900177002,0.40824830532074,0.0605579502880573,182.851852416992,0.0,5.2364296913147,0.0,1.0,138.369476318359,0.0,0.109968490898609,0.0,27.0195331573486,19.0,0.0731925070285797,3.58199572563171,0.491403847932816,0.0,0.157000005245209,0.0,0.0,5.0,40.13,2.0,2.25,0.0,60.7880058288574,0.0,3.0,0.5,0.0,4.0,0.0,11.320164680481,-46.0001068115234,3.19646215438843,0.0,0.436360239982605,268.172637939453,16.4135,157.255996704102,0.0645497217774391,-14.1294088363647,1.58306801319122,0.0,0.0,66.8899230957031,0.514269709587097,0.794630408287048,0.0,1.0,0.0,1.0,0.298925548791885,0.342947721481323,0.369782209396362,0.0,0.0916272923350334,0.0
InChI%3D1S%2FC14H6Cl2F4N2O2%2Fc15-5-4-8%2812%2820%2910%2816%2911%285%2919%2921-14%2824%2922-13%2823%299-6%2817%292-1-3-7%289%2918%2Fh1-4H%2C%28H2%2C21%2C22%2C23%2C24%29,0.267854779958725,0.558327436447144,14.6917362213135,4.0,13.0013074874878,11.0,375.063989639282,0.563982605934143,0.197711646556854,0.0,0.313144713640213,1.09471690654755,47.7025985717773,-0.344141811132431,2.56558799743652,367.483123779297,1299.99084472656,1.2894686460495,32.5595397949219,-822.050415039062,1506.4951171875,4.53283405303955,11.0314311981201,51.3122634887695,-62.2127380371094,2065.53198242188,68.1340713500977,2105.587890625,65.3027725219727,0.0,3.0,0.377861648797989,1.43773937225342,409.100006103516,0.845266878604889,34.969856262207,8.5895061728395,0.0528141222894192,4.80340264650284,0.0,1697.06103515625,0.0,2.25,11.9974088668823,0.436017423868179,0.5,131.835906982422,0.526627600193024,1.89999997615814,294.913543701172,0.622138321399689,6.0,18.4268436431885,2.08661222457886,65.1800003051758,-1.3917076587677,14.8512420654297,0.5,-0.105324372649193,0.690232276916504,1.0,6.87813758850098,0.12,333.1318359375,4.32848215103149,0.174627959728241,2.0,43.1869964599609,0.625495433807373,5.1001,1.44222116470337,-0.258042871952057,1.85314404964447,9.49034404754639,0.100383542478085,9.32117748260498,0.0,86.7166976928711,4.96643447875977,-0.339187115430832,223.194381713867,7.89537048339844,88.8615341186523,0.233944743871689,3.0,499.280151367188,10.1936092376709,0.0745124295353889,0.0,31.1961154937744,469.0,1.34640765190125,4.52879285812378,0.521409749984741,1.65519380569458,2.23600006103516,0.0,1.68097031116486,6.0,65.18,4.0,8.58950614929199,0.113402299582958,217.064025878906,0.0,18.0,0.25,0.0,4.80340242385864,0.388885170221329,-144.28874206543,-485.566680908203,12.8779001235962,0.0420984588563442,0.153782457113266,1321.33056640625,81.6256,257.545684814453,0.730771243572235,-36.7476654052734,6.8028302192688,0.0,0.0,93.4088516235352,0.813540577888489,5.04849910736084,0.0928361415863037,2.0,0.136476889252663,0.0,0.241431310772896,3.30300855636597,0.119678124785423,2.08136105537415,5.0625,1.0916188955307
InChI%3D1S%2FC4H4O4%2Fc5-3%286%291-2-4%287%298%2Fh1-2H%2C%28H%2C5%2C6%29%28H%2C7%2C8%29,0.30278879404068,0.0,5.48327493667603,2.0,0.333333343267441,2.0,112.03999710083,0.194334506988525,0.0,0.0,0.344990342855453,0.0782506763935089,11.0978765487671,-0.347371846437454,1.05502998828888,175.743072509766,203.990234375,1.49189901351929,8.32836818695068,-207.024322509766,198.161087036133,7.9567985534668,4.34999418258667,10.8773059844971,-51.3182563781738,200.573196411133,6.32836771011353,130.272674560547,5.32836771011353,0.0,2.0,0.455905705690384,3.1638765335083,65.0400009155273,0.537054300308228,15.9992818832397,3.9375,0.0715984106063843,7.2,0.0,86.5368957519531,0.0,-0.225199997425079,11.9964609146118,0.805665493011475,0.400000005960464,47.5645217895508,0.615883111953735,1.46000003814697,56.0307350158691,0.544094264507294,0.0,7.4698429107666,0.81649661064148,74.5999984741211,-0.640939950942993,6.28882789611816,0.0,-0.158879488706589,0.0,0.666666686534882,0.666666686534882,0.285714285714286,62.770263671875,0.666666686534882,0.192408755421638,0.0,5.01232099533081,0.396464765071869,-2.9576,0.0,-0.204484328627586,1.0,6.38263320922852,0.0623617954552174,2.82842707633972,0.0,24.6070003509521,0.577350258827209,0.0431462079286575,147.258071899414,0.333333343267441,10.8547172546387,-0.2605941593647,2.0,173.469146728516,0.666666686534882,0.0142707927152514,0.0,23.1263675689697,56.0,0.0608580633997917,3.69746875762939,0.556409537792206,0.0304290316998959,-0.416000008583069,0.0,0.0260308757424355,8.0,80.26,4.0,3.9375,0.0,56.7652130126953,0.0,8.0,1.62865054607391,0.0,7.19999980926514,0.0,-28.4850082397461,-66.8690948486328,3.86562442779541,0.0,0.278557449579239,380.493469238281,20.527,260.230865478516,0.105409257113934,-16.575855255127,1.76614546775818,0.0,0.0,74.4446258544922,0.611787557601929,1.00980865955353,0.0,2.0,0.0,2.0,0.319606393575668,0.368487298488617,0.240680664777756,0.142576977610588,0.0507150404155254,0.0609845854341984
InChI%3D1S%2FC22H14Cl2I2N2O2%2Fc1-11-6-15%2817%2810-27%2912-2-4-13%2823%295-3-12%2918%2824%299-20%2811%2928-22%2830%2916-7-14%2825%298-19%2826%2921%2816%2929%2Fh2-9%2C17%2C29H%2C1H3%2C%28H%2C28%2C30%29,0.23784002661705,1.79381608963013,16.6845207214355,4.0,16.0930500030518,14.0,648.967988967896,0.803142786026001,0.836691796779633,0.0,0.181933343410492,2.25090360641479,268.971740722656,-0.383999139070511,4.82481575012207,513.74365234375,2923.73510742188,1.56808388233185,56.198055267334,-965.977783203125,3390.27392578125,2.89104175567627,9.60880088806152,94.2851104736328,-61.8827743530273,4695.83251953125,115.252990722656,4906.7021484375,211.303253173828,0.0,5.0,0.344855159521103,0.0715613216161728,1246.07995605469,0.648421466350555,126.905471801758,10.7448015122873,0.0256037153303623,5.88,1.74820065498352,4270.23974609375,2.92665958404541,3.6175000667572,11.9961414337158,0.19685722887516,0.466666668653488,212.058181762695,0.628385663032532,3.0,398.72705078125,0.655144870281219,4.0,15.7442255020142,2.45419096946716,73.120002746582,-1.23185050487518,25.602897644043,0.0,-0.0789151936769485,0.648548364639282,0.875,8.81335258483887,0.15625,629.798889160156,7.25026226043701,0.289179176092148,0.0,78.8493728637695,0.390258997678757,7.12438,2.86817073822021,-0.127702385187149,7.36047554016113,13.9695768356323,0.00400251802057028,25.0875625610352,0.0,145.755401611328,5.61352157592773,-0.118670113384724,270.424407958984,8.4732894897461,199.887359619141,0.0640123710036278,5.0,508.471405029297,12.9008884429932,0.134909704327583,0.0,20.077615737915,730.0,3.00793099403381,5.00762319564819,0.480313926935196,4.55041551589966,4.46199989318848,0.0,5.61816167831421,3.0,73.12,3.0,10.7448015213013,0.194444447755814,402.861389160156,0.0,16.0,0.25,0.0,5.88000011444092,0.512657344341278,-243.319259643555,-757.488952636719,21.3375396728516,0.0694444477558136,0.190818324685097,1474.44921875,136.591,154.369155883789,1.78852033615112,-48.5264930725098,11.5674877166748,0.0,0.0,81.9603881835938,0.545230507850647,9.79166793823242,0.239813357591629,1.0,0.25381126999855,1.0,0.459384262561798,6.53256034851074,0.126416519284248,5.21079063415527,13.0863065719604,3.13977861404419
InChI%3D1S%2FC20H23N3O2%2Fc1-20%282%2C3%2918%2824%2919%2823-14-21-13-22-23%2925-17-11-9-16%2810-12-17%2915-7-5-4-6-8-15%2Fh4-14%2C18-19%2C24H%2C1-3H3,0.157510012388229,0.994552254676819,20.3513793945312,4.0,3.19322633743286,10.0,314.23899269104,0.921963453292847,0.577572762966156,0.0,0.292471826076508,1.59764897823334,27.6289024353027,-0.387912541627884,4.03366374969482,153.652313232422,1677.95056152344,1.2400529384613,29.1871910095215,-324.220642089844,1937.14685058594,2.16178369522095,14.720067024231,41.5986442565918,-18.4401302337646,2656.61499023438,40.8707847595215,2537.41455078125,39.761058807373,0.0,6.0,0.758486986160278,1.04303288459778,2316.05004882812,1.60047793388367,15.9959278106689,8.79224376731302,0.0442765168845654,5.25848800362155,4.16700744628906,2399.11328125,3.229984998703,2.17580008506775,11.9942979812622,0.0780365690588951,0.5,307.004913330078,0.455709874629974,3.10999989509583,647.808898925781,0.24151299893856,0.0,17.9213466644287,2.37289905548096,,-0.509614825248718,33.4125900268555,0.5,-0.028984472155571,0.719416081905365,1.0,6.71840381622314,0.222222222222222,586.559814453125,5.1323390007019,0.19820100069046,0.0,89.3376770019531,0.39281564950943,3.9297,2.38040494918823,-0.226131230592728,13.929573059082,10.5777378082275,-0.0373818501830101,15.3481311798096,0.0,106.650802612305,4.35435676574707,0.0991633385419846,482.554901123047,5.71890115737915,204.550750732422,-0.0265794824808836,6.0,1018.23565673828,7.77762603759766,0.0785032287240028,1.0,28.1690406799316,518.0,2.03912138938904,6.12138175964355,0.34703454375267,2.18894863128662,3.79299998283386,0.144337564706802,2.42294049263,8.0,60.17,4.0,8.79224395751953,0.268728733062744,97.7547073364258,0.0559016987681389,13.0,0.0,0.0,5.25848817825317,0.273001730442047,328.902618408203,-206.271514892578,15.0677423477173,0.092127650976181,0.183797463774681,1342.45629882812,97.0268,49.6474304199219,1.82741415500641,-11.731743812561,8.6607780456543,0.333333343267441,0.288675129413605,46.6091690063477,0.802428185939789,7.42247200012207,0.0730766803026199,1.0,0.286509424448013,0.0,0.437308430671692,4.37214756011963,0.0996808037161827,2.79187536239624,4.73410558700562,1.80444812774658
InChI%3D1S%2FC27H20N4O9S2%2Fc32-14-15-13-22%2830-28-20-9-11-23%2841%2835%2C36%2937%2918-7-3-1-5-16%2818%2920%2927%2834%2925%2826%2815%2933%2931-29-21-10-12-24%2842%2838%2C39%2940%2919-8-4-2-6-17%2819%2921%2Fh1-13%2C32-34H%2C14H2%2C%28H%2C35%2C36%2C37%29%28H%2C38%2C39%2C40%29,0.296714156866074,1.96815633773804,35.762508392334,11.0,17.2200527191162,21.0,588.449990272522,0.733221709728241,1.11830723285675,0.0,0.282281488180161,0.931649029254913,62.6656799316406,-0.391152322292328,9.44989776611328,494.447387695312,3285.08374023438,1.23931407928467,67.0589599609375,-1806.33984375,3927.7880859375,3.18797421455383,25.3809623718262,85.9731903076172,-84.5928039550781,5774.7705078125,97.9801940917969,6160.71826171875,99.2177658081055,0.0,7.0,0.516183137893677,0.097551167011261,2634.14990234375,1.88574588298798,31.9730758666992,13.7786179374081,0.0596492402255535,7.37240075614367,0.0,5528.416015625,0.0,-0.235300004482269,11.9961223602295,0.266778260469437,0.5,539.115661621094,0.503790020942688,2.77999997138977,1969.52416992188,0.483816891908646,0.0,62.2992820739746,4.69973373413086,235.630004882812,-1.76750385761261,37.4561386108398,2.06597971916199,-0.0827740803360939,1.40011060237885,1.0,13.3328876495361,0.152173913043478,749.332214355469,10.8570470809937,0.264240354299545,4.0,272.297637939453,0.765377283096313,7.6971,5.7568564414978,-0.25816535949707,14.1607027053833,11.8557949066162,-0.0866265818476677,33.4767951965332,0.0,156.334106445312,8.66532325744629,-0.072742260992527,527.524780273438,14.0799560546875,531.513793945312,0.0328629799187183,7.0,1927.17980957031,20.1104774475098,0.0260509978979826,0.0,60.9598617553711,1284.0,3.01424336433411,4.64214515686035,0.404449373483658,4.0197319984436,1.88900005817413,0.0,4.76975393295288,3.0,241.29,11.0,13.7786178588867,0.32313871383667,505.311492919922,0.0,40.0,4.14433002471924,0.0,7.37240076065063,0.670654773712158,33.0773887634277,-1846.02905273438,22.1047954559326,0.115264415740967,0.107018895447254,3733.51953125,147.9572,272.639953613281,1.59280776977539,-86.4514923095703,13.5235013961792,0.0,0.0646305605769157,145.552673339844,0.897014081478119,10.4279823303223,0.203464180231094,5.0,0.346569418907166,4.0,0.331074714660645,7.30266427993774,0.0808632895350456,5.10788440704346,0.0553660914301872,3.46980285644531
InChI%3D1S%2FC8H10O5%2Fc9-7%2810%295-3-1-2-4%2813-3%296%285%298%2811%2912%2Fh3-6H%2C1-2H2%2C%28H%2C9%2C10%29%28H%2C11%2C12%29,0.285191625356674,0.658945024013519,6.16937828063965,3.0,8.71337413787842,0.0,176.082995414734,0.462560147047043,0.268353790044785,0.0,0.0807953327894211,1.06514692306519,16.8723449707031,-0.372590243816376,2.3831627368927,160.378692626953,627.574523925781,1.57193446159363,15.9925518035889,-258.678192138672,765.050476074219,5.85371828079224,2.72106862068176,25.2056732177734,-43.2120170593262,1135.61486816406,20.3209190368652,792.574035644531,25.0829792022705,0.0,2.0,0.583570718765259,0.98852676153183,420.049987792969,0.94125348329544,15.9999904632568,3.29251700680272,0.0577633567154408,1.4268727705113,0.0,622.208129882812,0.0,-1.59990000724792,11.9962921142578,0.537439823150635,0.400000005960464,86.5574111938477,0.52356880903244,1.78999996185303,139.610275268555,0.416429311037064,0.0,8.5676794052124,1.22222220897675,,-0.671667575836182,14.7640695571899,0.0,-0.112201623618603,0.370370358228683,0.666666686534882,4.35798358917236,0.142857142857143,178.144989013672,3.11465167999268,0.386288940906525,0.0,11.9215049743652,0.562406480312347,-2.7202,0.913166761398315,-0.202841833233833,1.0,9.0771369934082,0.0747957304120064,5.24148273468018,0.0,35.9198989868164,2.59816718101501,-0.230471298098564,224.749572753906,4.75414896011353,24.9980945587158,-0.0651848763227463,2.0,362.503326416016,6.67388343811035,0.17265060544014,1.0,22.246301651001,114.0,1.16286623477936,4.29459381103516,0.505449950695038,1.84171080589294,-0.790000021457672,0.196418553590775,1.98326551914215,3.0,89.49,5.0,3.2925169467926,0.393471270799637,61.7663688659668,0.113402299582958,3.0,1.62865054607391,0.0,1.42687273025513,0.792919993400574,64.3708724975586,-99.624282836914,6.84278678894043,0.243633925914764,0.230950638651848,621.181518554688,36.262,206.983276367188,0.490309447050095,-16.6421680450439,4.22071313858032,1.0,0.0,65.4583206176758,0.645912230014801,3.51837849617004,0.390577763319016,2.0,0.118469752371311,2.0,0.54291570186615,2.84357500076294,0.164570897817612,2.30530047416687,2.55967998504639,1.4118937253952
InChI%3D1S%2FC18H22N2O2%2Fc1-12%282%2919-10-13%2821%2911-22-17-9-5-8-16-18%2817%2914-6-3-4-7-15%2814%2920-16%2Fh3-9%2C12-13%2C19-21H%2C10-11H2%2C1-2H3,0.168859362602234,0.993622481822968,15.2512559890747,2.0,6.93978643417358,10.0,276.209993362427,0.900659918785095,0.623113214969635,0.0,0.184924140572548,1.26408302783966,24.268913269043,-0.388898760080338,5.14298725128174,143.651794433594,1437.76086425781,1.40395450592041,25.6610164642334,-251.300384521484,1682.00402832031,8.41222381591797,8.8441858291626,35.8237571716309,-22.6013565063477,2346.80395507812,35.4872283935547,2239.77001953125,32.0997619628906,0.0,6.0,0.751957416534424,0.909468412399292,1654.0400390625,1.31545305252075,15.9959259033203,7.71349862258953,0.040339756757021,4.11032990805841,2.21143198013306,1922.63122558594,2.48244976997375,-0.354999989271164,11.8500003814697,0.0993401110172272,0.5,252.210388183594,0.589106857776642,3.0,441.209716796875,0.248042553663254,0.0,13.530161857605,1.44411730766296,,-0.433918654918671,27.2865543365479,0.125,-0.039025604724884,0.224513411521912,1.0,6.40833139419556,0.25,521.609741210938,5.58174180984497,0.337217271327972,0.0,63.1664810180664,0.343532621860504,2.0326,2.8053081035614,-0.121860705316067,9.50418376922607,10.6851654052734,-0.151938214898109,18.2741298675537,0.0,96.2557983398438,2.86255145072937,0.0573077611625195,435.489929199219,4.70696258544922,135.915237426758,0.123959191143513,6.0,761.833801269531,7.01792287826538,0.0828838646411896,1.0,23.3624362945557,445.0,1.14926862716675,5.16162872314453,0.488901853561401,1.51838481426239,1.88100004196167,0.078567422926426,1.85828101634979,9.0,61.86,3.0,7.71349859237671,0.363402307033539,83.1947479248047,0.03125,14.0,0.0,0.0,4.11033010482788,0.63862419128418,291.838134765625,-145.538543701172,12.9658279418945,0.121585629880428,0.22226095199585,1013.13415527344,91.3689,57.5320014953613,0.755706489086151,-13.0893878936768,7.685791015625,0.333333343267441,0.0,45.9637908935547,0.595234572887421,5.8770694732666,0.16661824285984,1.0,0.0716491192579269,0.0,0.325945794582367,3.68491554260254,0.120208777487278,2.60523915290833,0.126025006175041,1.87910950183868
InChI%3D1S%2FC17H19NO4%2Fc1-2-20-17%2819%2918-12-13-21-14-8-10-16%2811-9-14%2922-15-6-4-3-5-7-15%2Fh3-11H%2C2%2C12-13H2%2C1H3%2C%28H%2C18%2C19%29,0.278426706790924,0.460962653160095,22.4520988464355,5.0,1.25397157669067,12.0,282.189992904663,0.835250735282898,0.270337343215942,0.0,0.370524942874908,1.29328680038452,25.4578647613525,-0.344031006097794,2.58269572257996,253.857803344727,1086.61706542969,1.3647186756134,25.6570148468018,-489.372100830078,1184.26123046875,1.06176817417145,18.5761165618896,32.7043228149414,-33.8795166015625,1449.57104492188,29.7084789276123,1346.48217773438,24.6570148468018,0.476220309734344,8.0,0.634829878807068,1.03077757358551,1302.05004882812,1.22378754615784,15.9979333877563,10.7142857142857,0.0414325594902039,7.421875,1.3899552822113,1118.65356445312,0.522604525089264,1.77909994125366,11.8500003814697,0.164749264717102,0.5,306.794769287109,0.580823838710785,2.77999997138977,591.420837402344,0.365170121192932,0.0,20.0231456756592,0.901047587394714,60.2799987792969,-0.703953444957733,27.8389339447021,0.0,-0.0487351082265377,0.0,1.0,5.21305704116821,0.347826086956522,580.64697265625,3.93696022033691,0.115031369030476,1.0,75.3408660888672,0.571014583110809,3.8082,1.69268429279327,-0.386050939559937,14.6162824630737,8.5008602142334,0.124246083199978,12.4944868087769,0.0,92.1886978149414,1.65431356430054,0.0232594627887011,441.319030761719,2.30929589271545,159.840286254883,-0.223575279116631,8.0,850.748779296875,2.65870952606201,0.0576020479202271,3.0,28.8029537200928,555.0,0.409591197967529,4.57864999771118,0.397335141897202,0.508373141288757,2.7039999961853,0.0,0.490375965833664,9.0,60.28,3.0,10.7142858505249,0.185395404696465,176.47607421875,0.0,14.0,0.0,0.0,7.421875,0.19001992046833,187.461212158203,-340.200164794922,12.4366445541382,0.0598527938127518,0.178386002779007,1340.12084960938,85.0098,114.529876708984,0.244948968291283,-23.5522556304932,7.09644603729248,0.646330416202545,0.0,62.6824722290039,0.83484035730362,4.33228826522827,0.0357750318944454,1.0,0.0,0.0,0.386559635400772,2.68315649032593,0.144389986991882,1.7080545425415,3.16519689559937,1.04990708827972
InChI%3D1S%2FC16H20N2O3%2Fc1-9%282%2916%284%2915%2820%2917-13%2818-16%2912-8-10%283%296-7-11%2812%2914%2819%2921-5%2Fh6-9H%2C1-5H3%2C%28H%2C17%2C18%2C20%29,0.293758749961853,0.846795797348022,15.6173181533813,5.0,7.53310680389404,3.0,268.186993598938,0.851146876811981,0.478606551885605,0.0,0.233135119080544,1.05000793933868,24.0433826446533,-0.31521537899971,4.50694370269775,168.745300292969,1404.41857910156,1.25344693660736,23.9931087493896,-290.791961669922,1663.48034667969,2.4267373085022,10.0603666305542,36.6813087463379,-27.5001049041748,2435.11645507812,40.5396842956543,2433.14965820312,35.3183097839355,0.0,4.0,0.721566379070282,1.6666384935379,1344.05004882812,1.24344623088837,15.9969301223755,6.62993572084481,0.0336316674947739,3.34710743801653,3.01406526565552,2037.5263671875,8.76936721801758,0.950999975204468,11.8900003433228,0.148853093385696,0.444444447755814,265.030853271484,0.55598384141922,2.67000007629395,456.716979980469,0.278433591127396,0.0,12.3528890609741,2.14877486228943,,-0.47981333732605,27.676139831543,0.5,-0.0453757978975773,1.05398595333099,0.800000011920929,5.70330286026001,0.181818181818182,515.839477539062,4.36689805984497,0.288586288690567,1.0,60.6372985839844,0.53595107793808,1.8371,2.08949446678162,-0.347445696592331,1.65096366405487,10.9608898162842,0.139837875962257,8.07365989685059,0.0,80.5294036865234,5.61083364486694,-0.0393577180802822,437.306945800781,7.51879787445068,123.863563537598,-0.150588676333427,4.0,753.593383789062,9.59394645690918,0.0672335624694824,1.0,20.38254737854,304.0,2.62235641479492,4.81402349472046,0.360011160373688,2.48522448539734,2.56900000572205,0.0833333358168602,2.54020881652832,4.0,67.76,5.0,6.62993574142456,0.330933094024658,102.26847076416,0.0279508493840694,14.0,0.142857149243355,0.0,3.34710741043091,0.608193516731262,268.561645507812,-176.235122680664,12.9813594818115,0.0935308560729027,0.182858094573021,1044.38537597656,75.0786,90.2127532958984,1.22873520851135,-16.6665000915527,6.89924383163452,0.534522473812103,0.0721687823534012,47.8826522827148,0.82101422548294,5.78823328018188,0.157329797744751,0.0,0.47219306230545,2.0,0.337451845407486,4.02589321136475,0.170403689146042,2.20586681365967,0.904401004314423,1.43291473388672
InChI%3D1S%2FC15H16F3N5O4S%2Fc1-9-19-12%2822-14%2820-9%2927-2%2921-13%2824%2923-28%2825%2C26%2911-6-4-3-5-10%2811%297-8-15%2816%2C17%2918%2Fh3-6H%2C7-8H2%2C1-2H3%2C%28H2%2C19%2C20%2C21%2C22%2C23%2C24%29,0.410217761993408,1.02089488506317,17.6360416412354,8.0,4.09288930892944,5.0,403.256992340088,0.869188368320465,0.545308649539948,0.0,0.261024802923203,1.91590821743011,43.5317001342773,-0.352514266967773,3.70352673530579,270.267822265625,1792.52465820312,1.4310462474823,42.1333465576172,-790.903625488281,2064.19897460938,0.634422481060028,12.0166053771973,60.6787757873535,-48.4913749694824,2864.96875,56.4076271057129,2855.40844726562,58.3582572937012,0.0,7.0,0.581840872764587,0.0,1645.13000488281,1.70268154144287,31.9720726013184,10.3469387755102,0.0458137989044189,7.98676748582231,1.12862730026245,2720.92529296875,2.71335864067078,0.602699995040894,11.9974021911621,0.130811616778374,0.5,243.057968139648,0.500087797641754,1.67999994754791,711.277465820312,0.41815909743309,3.0,19.1382369995117,3.88125324249268,,-1.22368812561035,38.4851417541504,3.63872194290161,-0.0750259831547737,0.343443363904953,1.0,7.32618808746338,0.241379310344828,561.780578613281,5.22646951675415,0.209997624158859,2.0,74.6221542358398,0.932417511940002,2.901,2.29579472541809,-0.762904047966003,6.63197565078735,12.2839469909668,0.658267617225647,7.6848201751709,0.0,93.6532974243164,4.5286340713501,-0.63554322719574,376.059936523438,7.57611083984375,177.5234375,0.588702917098999,7.0,1100.49035644531,9.38411235809326,0.10863596200943,1.0,29.6107292175293,625.0,1.56826853752136,3.33573317527771,0.472591638565063,2.12781453132629,2.52099990844727,0.0,2.28614616394043,7.0,138.27,9.0,10.3469390869141,0.151374712586403,174.681610107422,0.0,16.0,0.94494080543518,0.0,7.98676729202271,0.264858663082123,105.792091369629,-511.182952880859,15.445704460144,0.0486111119389534,0.120415985584259,1891.39392089844,91.3465,84.5471801757812,1.00482678413391,-31.3413238525391,8.90116310119629,0.412740916013718,0.0514053702354431,78.1021041870117,0.850269377231598,6.72618103027344,0.0823836997151375,1.0,0.117655076086521,2.0,0.458366870880127,4.36311006546021,0.133031189441681,3.00996017456055,0.363247275352478,1.8994026184082
InChI%3D1S%2FC8H8Cl2O2%2Fc1-11-7-3-6%2810%298%2812-2%294-5%287%299%2Fh3-4H%2C1-2H3,0.107541978359222,0.273515462875366,9.25278759002686,2.0,3.30192732810974,6.0,198.991994857788,0.935200929641724,0.110772527754307,0.0,0.346854031085968,0.195046856999397,28.9744453430176,-0.37551736831665,1.69432246685028,178.862091064453,699.827697753906,0.976946353912354,17.2318420410156,-170.429779052734,782.21923828125,4.76457166671753,7.3634181022644,25.1353168487549,-26.0321273803711,1028.76110839844,31.99928855896,965.876586914062,26.3351039886475,0.200000002980232,2.0,0.551792919635773,0.555973589420319,268.040008544922,0.525779068470001,34.9698524475098,4.296875,0.0321433916687965,2.25,1.15470051765442,568.75390625,2.41710042953491,1.14359998703003,11.9962921142578,0.0647990927100182,0.428571432828903,87.8729629516602,0.538068830966949,1.89999997615814,83.7302627563477,0.44820711016655,2.0,5.11883163452148,0.804737865924835,18.4599990844727,-0.427076756954193,13.4176559448242,0.0,-0.0652334094047546,0.235702261328697,0.75,2.94267082214355,0.166666666666667,373.202453613281,2.0565938949585,0.183114811778069,0.0,14.2426891326904,0.366532981395721,3.0106,0.482896149158478,-0.174161747097969,0.333333343267441,9.26933479309082,-0.0576232820749283,5.65685415267944,0.0,53.6752014160156,2.03365111351013,0.0239135846495628,220.199172973633,2.78993105888367,25.928882598877,-0.00718636950477958,2.0,209.818054199219,3.54953527450562,0.0210797935724258,2.0,12.8271827697754,118.0,0.86472499370575,5.05401706695557,0.297939240932465,1.02980756759644,2.45000004768372,0.0,1.18151795864105,2.0,18.46,0.0,4.296875,0.0555555559694767,71.3769302368164,0.0,8.0,0.0,0.0,2.25,0.189678534865379,41.3370742797852,-68.0119247436523,8.23898410797119,0.020833333954215,0.363700062036514,380.247833251953,49.566,25.8588085174561,0.445177972316742,-10.3884134292603,4.01333904266357,0.0,0.0,38.8593101501465,0.758906960487366,2.93570041656494,0.0642559081315994,0.0,0.0771516785025597,0.0,0.140938237309456,2.0169792175293,0.110492341220379,1.28480136394501,1.30782091617584,0.825921177864075
InChI%3D1S%2FC11H9Cl2NO2%2Fc12-6-1-2-7-16-11%2815%2914-10-5-3-4-9%2813%298-10%2Fh3-5%2C8H%2C6-7H2%2C%28H%2C14%2C15%29,0.285036414861679,0.297938764095306,17.5983028411865,3.0,1.19055080413818,6.0,249.031993865967,0.848554790019989,0.116120301187038,0.0,0.417776614427567,0.662524223327637,33.3344345092773,-0.325354844331741,1.26679849624634,294.502899169922,803.087219238281,1.02213442325592,21.232120513916,-414.059997558594,851.584594726562,7.0169677734375,15.6689805984497,27.4010753631592,-41.5050849914551,996.670837402344,24.6821365356445,879.089599609375,23.6706695556641,0.0,3.0,0.536734104156494,2.16093564033508,385.049987792969,0.75462794303894,34.970157623291,8.14404432132964,0.0509044751524925,6.37,0.0,713.855102539062,0.0,3.15240001678467,11.9985275268555,0.151445209980011,0.454545468091965,216.909057617188,0.524536371231079,2.11999988555908,304.965972900391,0.463265895843506,2.0,20.5719032287598,0.78147441148758,41.8199996948242,-0.651334404945374,13.9148626327515,0.0,-0.0652893036603928,0.0,0.833333313465118,3.38026475906372,0.1875,539.434997558594,2.29065799713135,0.071984127163887,1.0,31.0698051452637,0.396930009126663,3.1443,0.779138445854187,-0.332251310348511,7.45430564880371,8.84902477264404,0.213571786880493,7.37723922729492,0.0,68.4308013916016,1.12162148952484,-0.0671512931585312,341.207397460938,1.73492097854614,61.8188438415527,-0.0469579882919788,3.0,479.724761962891,1.96626496315002,0.0376470498740673,1.0,32.3605003356934,273.0,0.370448738336563,4.94142436981201,0.311046659946442,0.448966205120087,2.33800005912781,0.0,0.410016417503357,9.0,41.82,3.0,8.14404392242432,0.0833333358168602,187.218536376953,0.0,10.0,0.0,0.0,6.36999988555908,0.142258897423744,46.7044868469238,-263.222198486328,9.79407691955566,0.0277777779847383,0.231354102492332,893.784729003906,65.6238,96.2752838134766,0.304342657327652,-26.3852100372314,5.31082391738892,0.5,0.0,73.8655853271484,0.858007609844208,3.35380482673645,0.043919637799263,1.0,0.0,0.0,0.186551302671432,1.86692380905151,0.202693626284599,1.16631376743317,9.93762588500977,0.624105930328369
InChI%3D1S%2FC14H12Cl2N2O%2Fc1-19-18-14%287-10-3-2-6-17-9-10%2912-5-4-11%2815%298-13%2812%2916%2Fh2-6%2C8-9H%2C7H2%2C1H3,0.130420804023743,0.793059766292572,12.3070888519287,3.0,4.13085174560547,8.0,283.072993278503,0.929908692836761,0.329867243766785,0.0,0.133100524544716,1.56240081787109,35.9199523925781,-0.263880491256714,4.45821857452393,228.531204223633,1278.5595703125,1.29975152015686,25.2875881195068,-259.502349853516,1452.68029785156,6.7102427482605,6.28646945953369,34.9699668884277,-29.685998916626,1912.169921875,37.2537956237793,1894.71276855469,41.8374404907227,0.0,4.0,0.602656543254852,2.02196383476257,682.049987792969,0.684330105781555,34.970157623291,7.69526627218935,0.0349071361124516,4.5,1.35788226127625,1612.59521484375,1.08274495601654,1.34560000896454,11.9985179901123,0.0700913071632385,0.5,199.355743408203,0.500724077224731,2.45000004768372,226.372955322266,0.397343456745148,2.0,11.5471048355103,1.03125095367432,,-0.45119246840477,17.1944847106934,0.200000002980232,-0.0516145601868629,0.164266422390938,1.0,5.11762857437134,0.2,534.834899902344,3.84182238578796,0.362248003482819,1.0,44.81396484375,0.26328906416893,3.9816,1.37137305736542,-0.076519750058651,8.05471801757812,10.9679012298584,-0.0471463613212109,13.6343536376953,0.0,83.8023986816406,2.16528463363647,-0.0450176931917667,346.616577148438,3.54835987091064,100.909606933594,0.000437161012087017,4.0,393.590942382812,4.65950155258179,0.126951292157173,1.0,20.0767631530762,300.0,1.04687249660492,4.69641160964966,0.394382238388062,1.46475899219513,2.0239999294281,0.0,1.57182514667511,5.0,34.48,1.0,7.69526624679565,0.170103460550308,131.439208984375,0.0,9.0,0.0,0.0,4.5,0.24753525853157,118.085357666016,-149.252197265625,11.8190212249756,0.0489014610648155,0.232245922088623,653.093322753906,77.949,40.312858581543,0.621722519397736,-17.0738353729248,6.4038782119751,0.0,0.0,49.7627601623535,0.7348792552948,4.72640943527222,0.0841508135199547,0.0,0.0700673311948776,0.0,0.404645174741745,3.08568215370178,0.0737694799900055,2.22398972511292,1.81063938140869,1.3208122253418
InChI%3D1S%2FC13H6Cl6O2%2Fc14-6-2-8%2816%2912%2820%294%2810%286%2918%291-5-11%2819%297%2815%293-9%2817%2913%285%2921%2Fh2-3%2C20-21H%2C1H2,0.149009257555008,1.20944762229919,11.0653991699219,2.0,16.1332454681396,10.0,400.858989715576,0.87331348657608,0.629848182201385,0.0,0.22847954928875,1.1383410692215,68.8254623413086,-0.358533978462219,2.86763501167297,418.012512207031,1835.46459960938,1.42135941982269,34.3746070861816,-625.270202636719,2166.58520507812,2.32121801376343,7.05942296981812,57.7492179870605,-58.4639282226562,3092.42138671875,88.6063537597656,3270.96704101562,76.0386962890625,0.0,2.0,0.364713817834854,2.74906206130981,364.079986572266,0.545545101165771,34.9739608764648,6.62993572084481,0.0338884592056274,3.34710743801653,0.0,2545.82104492188,0.0,3.95779991149902,11.9985208511353,0.12668651342392,0.5,157.903549194336,0.529460847377777,2.00999999046326,236.19482421875,0.635286211967468,6.0,14.6720743179321,1.98477494716644,40.4599990844727,-0.950271904468536,9.07924175262451,0.0,-0.0888521894812584,0.858600735664368,1.0,5.84993171691895,0.0909090909090909,574.632263183594,4.48265647888184,0.259153336286545,0.0,31.5442276000977,0.291775077581406,6.609,1.63741481304169,-0.0473481863737106,0.595275402069092,11.8190536499023,-0.0542925596237183,10.9242362976074,0.0,95.5805969238281,5.35011386871338,-0.0322443544864655,239.97834777832,7.32470655441284,65.6540298461914,-0.0217030700296164,2.0,358.963684082031,11.3090038299561,0.102873928844929,0.0,22.2982959747314,286.0,2.87041640281677,6.29478883743286,0.481197655200958,3.54094767570496,4.57499980926514,0.0,4.78059816360474,0.0,40.46,0.0,6.62993574142456,0.090721845626831,275.048400878906,0.0,7.0,0.16666667163372,0.0,3.34710741043091,0.427037388086319,-178.034149169922,-411.422058105469,14.5595951080322,0.0360843911767006,0.239022552967072,984.23388671875,89.0796,83.3585586547852,1.22670710086823,-38.4687309265137,7.71070098876953,0.0,0.0,80.7622222900391,0.805894315242767,6.5242166519165,0.164400517940521,2.0,0.398520827293396,0.0,0.41070082783699,5.06316947937012,0.145342662930489,3.19599485397339,15.6641807556152,2.09383940696716
InChI%3D1S%2FCHN%2Fc1-2%2Fh1H,0.276520878076553,0.0,0.826196551322937,1.0,0.0,0.0,26.0179996490479,0.531874775886536,0.0,0.0,0.5,-2.93790929300541e-17,2.35998797416687,-0.443253338336945,6.7299693595757e-10,113.09733581543,11.7436246871948,32193850114048.0,1.16618525981903,-30.103588104248,5.85309076309204,113.09733581543,0.826196551322937,0.0,-30.103588104248,0.0,0.0,0.0,0.0,0.0,0.0,0.531874775886536,32.6617317199707,2.00999999046326,0.141571313142776,14.0499534606934,0.0,0.0674133151769638,0.0,0.0,0.0,0.0,0.567499995231628,11.9531211853027,0.468125224113464,0.0,31.044885635376,0.666666686534882,1.46000003814697,8.26334571838379,0.468125224113464,0.0,3.93483352661133,0.0,23.7900009155273,-0.12460283190012,1.7532069683075,0.0,-0.12460283190012,0.0,0.0,0.0,0.0,128.498992919922,0.0,8.14572465035468e-10,0.0,5.5602772386365e-10,0.118922658264637,0.13978,0.0,-0.0594613291323185,0.0,2.98399686813354,0.0,0.0,0.0,7.0145001411438,0.0,0.0,128.498992919922,0.0,0.826196551322937,0.0,0.0,34.2031097412109,0.0,-3.55594489773604e-17,0.0,16.2868099212646,2.0,0.0,2.33450317382812,0.666666388511658,0.0,-0.35699999332428,0.0,0.0,1.0,23.79,1.0,0.0,0.0,27.3239002227783,0.0,1.0,0.0,0.0,0.0,0.0,15.4016580581665,-7.27291631698608,1.02456390857697,0.0,1.0,64.3067016601562,6.67,113.09733581543,0.0,-7.27291631698608,0.258198887109756,0.0,0.0,46.3903961181641,0.926039040088654,0.0,0.0,0.0,0.0,0.0,32193850114048.0,0.0,0.62640368938446,0.0,0.322056263685226,0.0
InChI%3D1S%2FC7H17O2PS3%2Fc1-4-8-10%2811%2C9-5-2%2913-7-12-6-3%2Fh4-7H2%2C1-3H3,0.219300553202629,3.56829428672791,16.6141376495361,5.0,0.0,0.0,243.250001907349,0.967801213264465,1.16189503669739,1.0,0.315296620130539,0.738254606723785,38.5826110839844,-0.322603613138199,3.35332870483398,135.836654663086,920.453491210938,1.32294428348541,34.3139381408691,-136.30046081543,953.295166015625,2.83872699737549,12.5225534439087,44.3260612487793,-15.1424598693848,1078.37683105469,34.389705657959,1023.54962158203,35.8325004577637,0.5,8.0,0.750768303871155,0.144439846277237,685.059997558594,0.753331780433655,31.9740753173828,7.40816326530612,0.0229679755866528,6.12244897959184,3.34758639335632,869.674133300781,0.0,3.01279997825623,11.8900003433228,0.0321987792849541,0.5,223.014556884766,0.555830061435699,1.57000005245209,223.776031494141,0.249231725931168,0.0,6.82260179519653,0.926776707172394,110.959999084473,-0.250082701444626,31.0365180969238,0.0,-0.0277832336723804,0.0,1.0,2.38388347625732,0.666666666666667,527.472473144531,1.10355341434479,0.201835855841637,0.0,53.7126808166504,0.324194967746735,4.3783,0.25,-0.25776344537735,1.47084140777588,12.1209096908569,0.207857683300972,0.0,1.0,67.4418029785156,1.43566012382507,-0.19646829366684,409.184875488281,2.31066012382507,101.327781677246,0.125257968902588,8.0,410.58203125,1.73299515247345,0.0444353297352791,2.0,12.5180406570435,146.0,3.29203581809998,5.29703521728516,0.480631202459335,5.67750644683838,3.80900001525879,0.0,4.92355966567993,13.0,110.96,2.0,7.40816307067871,0.0,74.0338973999023,0.0,4.0,0.0,2.0,6.12244892120361,0.0,273.348205566406,-74.2866821289062,11.6607990264893,0.0,0.320509254932404,546.882507324219,68.353,17.5490264892578,2.19089031219482,-8.25296592712402,9.67852687835693,0.0,0.335410207509995,27.6605014801025,0.766610980033875,9.97224903106689,0.0,0.0,0.0,0.0,0.286482989788055,8.14529705047607,0.218497395515442,7.65718603134155,9.07696342468262,4.77620124816895
InChI%3D1S%2FC13H14F3N3O4%2Fc1-4-17%287-8%282%293%2912-10%2818%2820%2921%295-9%2813%2814%2C15%2916%296-11%2812%2919%2822%2923%2Fh5-6H%2C2%2C4%2C7H2%2C1%2C3H3,,0.70361715555191,11.6674575805664,5.0,4.13085174560547,5.0,319.153991699219,0.973022937774658,0.347575187683105,0.0,0.1767947524786,2.36486268043518,31.6839733123779,,2.66311550140381,315.148315429688,1184.10607910156,1.18456077575684,27.7901458740234,-493.601898193359,1382.46472167969,0.0,6.639479637146,44.4582748413086,-41.0924682617188,1943.64770507812,45.1969032287598,2152.31225585938,52.2169647216797,0.0,7.0,0.468883246183395,4.25969696044922,863.099975585938,0.734389662742615,,8.39273356401384,0.0306961480528116,5.5,3.25857257843018,2137.96752929688,3.91424512863159,2.53629994392395,,0.0269770715385675,0.444444447755814,165.087707519531,0.4208704829216,1.78999996185303,258.569061279297,0.531116724014282,3.0,10.8077154159546,3.13522124290466,71.5199966430664,-0.831863045692444,23.4058971405029,0.0,-0.0692527815699577,0.851455628871918,0.800000011920929,5.42603302001953,0.304347826086957,577.36181640625,4.89762687683105,0.228251561522484,0.0,39.6810607910156,0.468742489814758,4.9706,1.94220995903015,-0.213988929986954,1.88988161087036,,0.039333138614893,8.5908784866333,0.0,44.2360992431641,4.830078125,0.091245673596859,278.220886230469,6.51092433929443,93.163314819336,-0.0441547483205795,7.0,435.764221191406,10.3406858444214,0.202688753604889,0.0,18.2141494750977,309.0,1.25900554656982,,0.380852341651917,1.68115901947021,4.17199993133545,0.0,2.1241626739502,7.0,94.88,1.0,8.39273357391357,0.0555555559694767,186.999313354492,0.0,13.0,1.44224953651428,0.0,5.5,0.124002821743488,-36.927433013916,-292.888153076172,12.3845481872559,0.020833333954215,0.170457869768143,929.366088867188,81.789,16.0073642730713,0.838813781738281,-24.3830051422119,6.41943359375,0.0,0.0134987309575081,59.3066177368164,0.869960129261017,4.84636640548706,0.0383675172924995,0.0,0.114049226045609,4.0,0.382838010787964,2.94912719726562,0.266108602285385,2.04498720169067,6.43281745910645,1.43785881996155
InChI%3D1S%2FC2H8NO2PS%2Fc1-5-6%283%2C4%297-2%2Fh1-2H3%2C%28H2%2C3%2C4%29,0.310005456209183,0.0,7.19271421432495,4.0,0.0,0.0,133.068000793457,0.791411936283112,0.0,0.0,0.235558122396469,0.559333920478821,20.6870937347412,-0.310396999120712,1.9767392873764,124.45223236084,224.317779541016,1.32617139816284,20.7647323608398,-109.531440734863,218.237945556641,6.12595415115356,4.65664100646973,20.2653427124023,-20.5618553161621,237.654052734375,8.99843120574951,155.851867675781,1.0,0.0,2.0,0.651561379432678,1.9402951002121,154.050003051758,0.573444604873657,31.972677230835,2.34375,0.045957088470459,2.66666666666667,0.0,27.5131607055664,0.0,0.120399996638298,11.9986572265625,0.208588048815727,0.5,83.1205062866211,0.545182824134827,1.12999999523163,73.1550445556641,0.348438590764999,0.0,5.86280345916748,1.20710682868958,87.4300003051758,-0.306663691997528,18.4396553039551,0.0,-0.0575686283409595,0.0,1.0,0.25,0.333333333333333,282.669555664062,0.0,0.274825215339661,0.0,12.9152393341064,0.311242431402206,1.0626,0.0,-0.270283311605453,0.0,7.44550371170044,0.206535488367081,0.0,1.0,29.9951992034912,1.70710682868958,-0.106848865747452,232.718963623047,1.0,25.2566032409668,0.0149754844605923,2.0,204.817886352539,0.0,0.0777639523148537,1.0,16.4145488739014,34.0,0.91981852054596,3.95274472236633,0.409037828445435,0.488938212394714,-0.545000016689301,0.0,0.0,7.0,87.43,3.0,2.34375,0.0,44.4507522583008,0.0,4.0,0.0,1.0,2.66666674613953,0.0,108.266731262207,-39.1214752197266,5.28974771499634,0.0,0.352631628513336,314.349304199219,32.3179,74.5016403198242,0.589073300361633,-7.34410238265991,3.39047694206238,0.5,0.0790964961051941,36.9764022827148,0.630530416965485,2.66997361183167,0.0,0.0,0.0,1.0,0.371950805187225,1.75136542320251,0.352215349674225,0.33557802438736,0.0144961597397923,0.0
InChI%3D1S%2FC6H10N6%2Fc7-4-10-5%288%2912-6%2811-4%299-3-1-2-3%2Fh3H%2C1-2H2%2C%28H5%2C7%2C8%2C9%2C10%2C11%2C12%29,0.161636397242546,0.238987594842911,9.27862930297852,3.0,2.38110160827637,0.0,156.107997894287,0.728632986545563,0.103508926928043,0.0,0.295442342758179,0.310479253530502,14.1599283218384,-0.279203981161118,2.22020673751831,144.927856445312,614.731079101562,1.22884130477905,14.6618528366089,-216.668319702148,701.56494140625,6.59335660934448,6.74794292449951,18.5722637176514,-29.9977912902832,809.763977050781,14.8280382156372,699.65869140625,14.8246688842773,0.0,1.0,0.650620818138123,5.28032541275024,397.059997558594,0.972683370113373,14.0080919265747,3.39506172839506,0.0683664679527283,2.04081632653061,0.0,553.267578125,0.0,-0.613099992275238,11.8999996185303,0.271366983652115,0.5,111.953468322754,0.622135877609253,1.46000003814697,167.371353149414,0.3493792116642,0.0,11.7639389038086,0.98559856414795,,-0.522324740886688,14.2320699691772,2.67269611358643,-0.072316013276577,0.0,1.0,3.01319003105164,0.0769230769230769,302.248138427734,1.86326289176941,0.2392817735672,1.0,17.7662544250488,0.274559199810028,-1.307,0.573766946792603,-0.257948398590088,1.0,8.73788356781006,0.281851977109909,2.71847081184387,0.0,35.2267990112305,1.13807117938995,-0.290753066539764,269.887481689453,2.17271661758423,31.6964302062988,0.160171255469322,1.0,403.483978271484,2.31975698471069,0.0334617607295513,0.0,28.3594589233398,126.0,0.277726292610168,5.45890617370605,0.424090981483459,0.365296095609665,2.08200001716614,0.0,0.330557614564896,0.0,107.43,6.0,3.3950617313385,0.234708055853844,60.1182975769043,0.0,9.0,0.0,0.0,2.49307489395142,0.339345902204514,124.959632873535,-89.8773422241211,6.43877744674683,0.0801747217774391,0.186088606715202,620.152282714844,39.7885,112.567192077637,0.310001134872437,-12.4435443878174,3.7983021736145,0.0,0.0,58.357250213623,0.8059783577919,2.83387994766235,0.0710250064730644,0.0,0.0,0.0,0.182614490389824,1.30667591094971,0.126693531870842,0.831776738166809,0.375891596078873,0.469137102365494
InChI%3D1S%2FC11H16ClO2PS3%2Fc1-3-13-15%2816%2C14-4-2%2918-9-17-11-7-5-10%2812%296-8-11%2Fh5-8H%2C3-4%2C9H2%2C1-2H3,0.219341933727264,4.05038070678711,15.8201379776001,5.0,0.333333343267441,6.0,326.746999740601,0.922353088855743,2.44117069244385,,0.301523506641388,1.80284869670868,51.2953643798828,-0.322603493928909,2.38371872901917,217.282943725586,1418.84057617188,1.57880389690399,42.2656745910645,-260.341705322266,1551.7314453125,2.01039361953735,11.6335706710815,58.8993225097656,-23.9665412902832,1910.88977050781,49.6327514648438,1798.82666015625,46.1238098144531,0.5,8.0,0.635073781013489,4.90593862533569,850.070007324219,0.760925769805908,34.9688529968262,8.22684310018904,0.031895786523819,6.144,2.60468912124634,1452.2431640625,0.478091448545456,3.98539996147156,11.8500003814697,0.077646940946579,0.454545468091965,225.146514892578,0.561521887779236,1.89999997615814,269.763580322266,0.364926248788834,1.0,11.3077020645142,1.41957592964172,110.959999084473,-0.437243342399597,30.3633117675781,0.0,-0.0402517542243004,0.0,0.833333313465118,4.01741123199463,0.444444444444444,549.183837890625,2.57637596130371,0.150676235556602,0.0,53.0022125244141,0.341792225837708,6.0709,0.836242616176605,-0.258440911769867,5.32517290115356,12.2949371337891,0.201358571648598,5.51069116592407,,92.4509963989258,2.27692127227783,-0.194342568516731,378.133117675781,3.26561498641968,118.817436218262,0.0954204350709915,8.0,453.0673828125,2.90467572212219,0.113959096372128,,18.9912624359131,307.0,3.89029359817505,5.31878805160522,0.531099796295166,6.37894535064697,4.23000001907349,0.0,5.63368225097656,11.0,110.96,2.0,8.22684288024902,0.0833333358168602,129.373748779297,0.0,6.0,0.0,,6.14400005340576,0.142258897423744,160.850158691406,-155.011627197266,14.3969869613647,0.0277777779847383,0.268412441015244,713.409118652344,87.53,46.232234954834,2.58399653434753,-14.2700624465942,11.1060810089111,0.0,0.335410207509995,42.9578018188477,0.681429505348206,11.2886247634888,0.0655177310109138,,0.0,,0.486182183027267,9.15103435516357,0.182991549372673,8.21018314361572,15.8834133148193,5.11293649673462
InChI%3D1S%2FC14H4N2O2S2%2Fc15-5-9-10%286-16%2920-14-12%2818%298-4-2-1-3-7%288%2911%2817%2913%2814%2919-9%2Fh1-4H,,2.40251278877258,13.6966123580933,4.0,12.7624530792236,10.0,292.299997329712,0.593442022800446,1.52427458763123,0.0,0.355246692895889,0.269951283931732,34.5244216918945,,2.37355518341064,345.440093994141,1881.42578125,1.38978612422943,29.6756954193115,-500.762115478516,2310.60913085938,7.82612085342407,11.0531053543091,47.0190200805664,-64.1560287475586,3404.0927734375,65.8111114501953,3657.9609375,53.3403434753418,0.0,0.0,0.403223514556885,3.52624320983887,296.059997558594,0.584527015686035,,6.01171875,0.0448263064026833,2.493435943866,0.0,2892.39599609375,0.0,-0.017000000923872,,0.406558007001877,0.444444447755814,135.103912353516,0.532698035240173,2.33999991416931,195.85139465332,0.596776485443115,0.0,15.0194854736328,1.26256453990936,,-0.86510819196701,12.1688280105591,0.0,-0.110834866762161,0.508714139461517,0.800000011920929,6.77163600921631,0.0,343.509948730469,5.76115036010742,0.173295050859451,0.0,29.8596992492676,0.486324965953827,2.15136,2.90776705741882,-0.114097781479359,4.19578075408936,,-0.0961565524339676,14.3636169433594,0.0,54.2957992553711,3.89331889152527,0.0597569458186626,233.403259277344,6.67327117919922,50.6385269165039,-0.08978271484375,0.0,338.349548339844,10.3786191940308,0.0197093486785889,0.0,25.9474086761475,306.0,2.72970271110535,,0.595234930515289,3.99146032333374,1.3400000333786,0.0,5.61305141448975,2.0,138.2,4.0,6.01171875,0.175925925374031,199.955703735352,0.0,20.0,0.200000002980232,0.0,2.49343585968018,0.417773127555847,-112.036842346191,-289.862823486328,11.6245155334473,0.168402776122093,0.197985962033272,839.111694335938,76.972,235.333389282227,0.96083414554596,-37.136287689209,7.48245429992676,0.0,0.0,90.1034317016602,0.828878462314606,6.50081920623779,0.346851021051407,0.0,0.331546127796173,2.0,0.261853158473969,5.86903953552246,0.138943001627922,4.54733562469482,0.000288999988697469,3.71890878677368
InChI%3D1S%2FAsH3O4%2Fc2-1%283%2C4%295%2Fh%28H3%2C2%2C3%2C4%2C5%29%2Fp-3,30.0391426086426,0.0,,2.0,0.0,0.0,138.917995452881,,0.0,0.0,,,46.0090942382812,-7.51094722747803,,,15.4143323898315,,33.2377510070801,,15.0307598114014,,,10.6468143463135,,14.0874357223511,0.0,0.0,0.0,0.0,0.0,,,4.05000019073486,,74.9217987060547,1.0,,0.0,0.0,0.0,0.0,-2.40560007095337,15.9937610626221,,0.5,,,0.910000026226044,,,0.0,,2.0,86.25,,14.0319995880127,0.0,,0.0,1.0,0.0,0.0,,0.0,,0.0,,1127.91345214844,-0.856,0.0,-902.330749511719,0.0,2.46533966064453,338.374053955078,0.0,0.0,1.44289994239807,0.0,0.0,,0.0,,0.0,0.0,,0.0,,0.0,,12.0,0.0,1.45597112178802,,0.0,-0.152999997138977,0.0,0.0,5.0,86.25,4.0,1.0,0.0,,0.0,5.0,3.0,0.0,,0.0,,,2.73203825950623,0.0,,,2.3652,,0.0,,0.948683321475983,0.0,0.0,,,0.0,0.0,0.0,0.0,1.0,,0.0,,0.0,5.78691148757935,0.0
InChI%3D1S%2FC6H6O%2Fc7-6-4-2-1-3-5-6%2Fh1-5%2C7H,0.104978062212467,0.0286887660622597,4.58359575271606,1.0,0.0,6.0,88.0649976730347,0.759847521781921,0.0,,0.188570722937584,7.22788406903874e-09,7.77446889877319,-0.360415607690811,1.90328788757324,110.788276672363,270.770050048828,1.35965597629547,7.33209180831909,-67.0573348999023,280.435668945312,20.5012626647949,2.68030786514282,8.66418361663818,-16.2345237731934,309.035888671875,5.66418409347534,183.180419921875,1.33209192752838,0.0,0.0,0.633370339870453,13.7227153778076,127.01000213623,0.383363008499146,15.9949159622192,2.34375,0.0599197149276733,1.5,0.0,28.9534301757812,0.0,0.840300023555756,11.8500003814697,0.240152508020401,0.25,57.8349075317383,0.49190679192543,2.00999999046326,35.0060043334961,0.36662968993187,0.0,5.47144556045532,0.288675129413605,20.2299995422363,-0.221911653876305,6.559241771698,0.0,-0.0537246242165565,0.0,0.333333343267441,1.30671286582947,0.0,229.610961914062,0.901047587394714,0.415239036083221,,5.10139751434326,0.0549920089542866,1.3922,0.0,-0.0175801925361156,6.08364343643188,6.71390008926392,-0.00918847601860762,3.04182171821594,,32.5612983703613,0.40824830532074,-0.000699272553902119,191.392044067383,0.433012694120407,9.68499279022217,-2.80631793430075e-05,0.0,115.844749450684,0.40824830532074,1.57690260849108e-09,,18.1065578460693,45.0,0.086066298186779,4.59418439865112,0.49046778678894,0.0745356008410454,0.94599997997284,0.0,0.0573775321245193,0.0,20.23,0.0,2.34375,0.102062076330185,33.4780349731445,0.0,7.0,0.0,,1.5,0.102062076330185,80.6037673950195,-20.26340675354,3.83396482467651,0.0320750139653683,0.595431268215179,182.902084350586,28.1068,72.5693588256836,0.0745356008410454,-4.90575361251831,2.13429045677185,0.0,0.0,34.3410835266113,0.456960737705231,1.33554911613464,0.0143443830311298,,0.0,,0.377281457185745,0.756193578243256,0.35981348156929,0.427994102239609,0.706104099750519,0.242140486836433
InChI%3D1S%2FCBrN%2Fc2-1-3,0.282771736383438,0.0,1.47376239299774,1.0,0.0,0.0,105.921998977661,0.478209733963013,0.0,0.0,0.5,-3.19275371356565e-17,46.6180801391602,-0.240711137652397,3.80593251358974e-10,78.4023742675781,73.8623504638672,21649088839680.0,7.81886053085327,-18.8719444274902,51.1632652282715,78.4023742675781,1.47376239299774,7.75825214385986,-18.8719444274902,20.2006053924561,0.0,0.0,0.0,0.0,0.0,0.726025700569153,70.6635055541992,2.01999998092651,0.174758955836296,78.9185180664062,2.0,0.0598488673567772,0.0,0.0,0.0,0.0,0.729499995708466,11.9998188018799,0.521790266036987,0.5,59.4553108215332,0.666666686534882,1.35000002384186,14.3112678527832,0.27397432923317,1.0,4.9011116027832,0.0,23.7900009155273,-0.0659473463892937,1.95000004768372,0.0,-0.0659473463892937,0.0,1.0,0.0,0.0,136.847778320312,0.0,2.58246007911467e-10,0.0,5.60903989921258e-10,0.11546678841114,0.86238,0.0,-0.0575265251100063,0.0,5.89036512374878,-0.000206869022804312,0.0,0.0,15.3908004760742,0.0,0.0,207.76448059082,0.0,1.47376239299774,0.0,0.0,50.0102233886719,0.0,-2.1663964467521e-17,0.0,17.1267623901367,6.0,0.0,4.11899852752686,0.666667103767395,0.0,0.602999985218048,0.0,0.0,3.0,23.79,1.0,2.0,0.0,22.4361610412598,0.0,2.0,0.0,0.0,0.0,0.0,129.362106323242,-5.40052509307861,2.91117453575134,0.0,1.0,68.8821640014648,14.54,149.319076538086,0.0,-5.40052509307861,1.20558726787567,0.0,0.0,35.998706817627,0.642983555793762,0.439155042171478,0.0,0.0,0.0,0.0,21649088839680.0,0.0,0.996429562568665,0.0,0.532170236110687,0.0
InChI%3D1S%2FC18H13ClF3NO7%2Fc1-2-28-16%2824%299-29-17%2825%2912-8-11%284-5-14%2812%2923%2826%2927%2930-15-6-3-10%287-13%2815%2919%2918%2820%2C21%2922%2Fh3-8H%2C2%2C9H2%2C1H3,,0.757214725017548,21.7106666564941,7.0,7.40534687042236,10.0,434.644988059998,0.880053281784058,0.423099100589752,0.0,0.169871240854263,0.716853618621826,48.0001564025879,,8.83956718444824,404.617126464844,1492.07922363281,1.3422224521637,38.6269454956055,-1026.7177734375,1724.41589355469,1.20205998420715,12.1542463302612,60.7958450317383,-62.5032196044922,2355.9091796875,63.0229530334473,2448.91479492188,60.5966949462891,0.608220219612122,10.0,0.450274437665939,0.0,1066.11999511719,1.14257335662842,,11.7438016528926,0.027864120900631,7.82840236686391,1.14099156856537,2200.4296875,1.00009059906006,1.61039996147156,,0.119946703314781,0.5,243.934906005859,0.529048025608063,2.11999988555908,618.985900878906,0.549725592136383,4.0,15.0953092575073,3.24673223495483,95.9700012207031,-1.39493107795715,27.1606903076172,0.0,-0.0849188417196274,0.838727176189423,1.0,7.43822765350342,0.32258064516129,647.749816894531,5.98611402511597,0.407153159379959,0.0,122.487770080566,1.05155885219574,5.3024,2.7624499797821,-0.558466255664825,5.83003234863281,,0.0591758377850056,17.3613338470459,0.0,43.6910018920898,5.52587032318115,0.220341101288795,331.417633056641,7.19236278533936,221.215957641602,-0.616881966590881,10.0,840.973754882812,9.98253154754639,0.0330184996128082,3.0,20.5089626312256,737.0,1.33146333694458,,0.472939908504486,1.50493860244751,5.46500015258789,0.0,1.65050780773163,9.0,107.65,4.0,11.7438020706177,0.136082768440247,297.812286376953,0.0,19.0,1.19526600837708,0.0,7.82840251922607,0.276854544878006,-73.1995010375977,-755.700012207031,15.9510536193848,0.0481125228106976,0.123779602348804,1867.69152832031,98.7075,88.2849502563477,0.782682538032532,-46.0045433044434,8.56147193908691,2.51648926734924,0.0134987309575081,83.0121841430664,0.557071089744568,5.96944141387939,0.0817336365580559,0.0,0.115710437297821,4.0,0.340234488248825,3.79345273971558,0.164221227169037,2.41224527359009,2.59338808059692,1.51451098918915
InChI%3D1S%2FC20H19NO3%2Fc1-16%2823-20-9-5-6-14-21-20%2915-22-17-10-12-19%2813-11-17%2924-18-7-3-2-4-8-18%2Fh2-14%2C16H%2C15H2%2C1H3,0.16755498945713,0.580627024173737,21.2461471557617,4.0,2.21892499923706,15.0,302.223992347717,0.936758100986481,0.335092395544052,0.0,0.293354570865631,1.50470781326294,26.6833953857422,-0.342916786670685,4.34918403625488,228.796432495117,1299.77062988281,1.41006052494049,28.3249225616455,-392.469146728516,1444.0517578125,3.16988563537598,15.3922548294067,37.2067565917969,-21.694803237915,1817.96533203125,34.0956687927246,1673.28503417969,27.3249225616455,0.608220219612122,7.0,0.680539131164551,0.589169204235077,1473.0400390625,1.16737222671509,15.9969310760498,10.2222222222222,0.0408786348998547,6.68244575936884,2.22053337097168,1398.55725097656,1.32820665836334,0.990599989891052,11.9882841110229,0.0632418766617775,0.5,349.072967529297,0.561363935470581,3.22000002861023,598.787170410156,0.319460868835449,0.0,20.9681205749512,1.10517168045044,40.5800018310547,-0.547991633415222,27.8389339447021,0.0,-0.030291736125946,0.0,1.0,6.28005695343018,0.269230769230769,670.901916503906,5.14185523986816,0.204704612493515,0.0,96.6488494873047,0.483245104551315,4.7202,1.98469686508179,-0.255950272083282,16.9528312683105,8.51905822753906,-0.0325442887842655,15.897159576416,0.0,104.525802612305,2.02338242530823,0.085862934589386,487.399017333984,2.94320964813232,218.625778198242,-0.147970616817474,7.0,836.066711425781,3.75519585609436,0.0708226189017296,3.0,29.2770919799805,638.0,0.594517946243286,6.00899076461792,0.511664748191833,0.725646257400513,2.64100003242493,0.0,0.755476355552673,5.0,40.58,1.0,10.222222328186,0.287457466125488,163.86296081543,0.0,14.0,0.0,0.0,6.68244552612305,0.262188702821732,258.602600097656,-281.084594726562,13.4619693756104,0.0846979916095734,0.199832320213318,1228.53588867188,92.78,45.2935447692871,0.423495441675186,-15.5377187728882,7.82900428771973,0.0,0.0,50.9718933105469,0.719386041164398,5.29396677017212,0.0459180399775505,0.0,0.0,0.0,0.337031900882721,3.24703359603882,0.0975745990872383,2.09905982017517,0.981288373470306,1.38088130950928
InChI%3D1S%2FC19H20O4%2Fc1-2-3-13-22-18%2820%2916-11-7-8-12-17%2816%2919%2821%2923-14-15-9-5-4-6-10-15%2Fh4-12H%2C2-3%2C13-14H2%2C1H3,0.295319974422455,0.595686554908752,22.5980987548828,4.0,4.32963848114014,9.0,292.204992294312,0.814438939094543,0.328884333372116,0.0,0.337909758090973,1.48629236221313,26.0978755950928,-0.312027782201767,3.39761543273926,215.72248840332,1245.00085449219,1.25062811374664,25.9925518035889,-393.784271240234,1384.1923828125,2.65087604522705,17.7141895294189,33.5414886474609,-31.8177509307861,1746.57409667969,35.317195892334,1744.67468261719,34.645565032959,0.200000002980232,9.0,0.700469672679901,1.81531202793121,1430.0400390625,1.27865171432495,15.9979333877563,10.78,0.0489664487540722,6.42804967129291,1.88038718700409,1535.60217285156,0.70085734128952,1.53629994392395,11.8500003814697,0.185561031103134,0.5,363.327667236328,0.495880007743835,3.10999989509583,663.225769042969,0.299530357122421,0.0,25.3984813690186,0.947694182395935,52.5999984741211,-0.5467689037323,27.6121406555176,0.0,-0.0441788993775845,0.248005643486977,1.0,5.72011423110962,0.375,586.560913085938,4.47736597061157,0.150349617004395,0.0,91.564323425293,0.550307333469391,4.0005,1.6691118478775,-0.373200178146362,16.0009994506836,9.72765064239502,0.20719438791275,16.7202339172363,0.0,91.9810028076172,2.37849545478821,-0.0427294597029686,504.479919433594,3.67015910148621,203.616424560547,-0.318189740180969,9.0,920.888061523438,5.07293701171875,0.06577068567276,2.0,35.265754699707,492.0,0.689586639404297,4.92710399627686,0.296913594007492,0.850783288478851,3.38800001144409,0.0,0.878518044948578,7.0,52.6,4.0,10.7799997329712,0.185395404696465,155.363845825195,0.0,12.0,0.200000002980232,0.0,6.42804956436157,0.168393835425377,288.757446289062,-283.604370117188,13.1575727462769,0.0598527938127518,0.170793071389198,1314.67236328125,87.194,133.641510009766,0.34552201628685,-22.9152202606201,7.69254112243652,1.26491105556488,0.0,67.0835037231445,0.907110452651978,5.09678745269775,0.050458237528801,0.0,0.0448895953595638,2.0,0.457834511995316,3.31069374084473,0.161237567663193,2.02693772315979,2.36021757125854,1.26641654968262
InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3,0.0900528952479362,0.123928338289261,6.27086448669434,0.0,0.0,5.0,96.0879974365234,1.0,0.0453609228134155,,0.264274507761002,0.444004207849503,8.0,-0.210048526525497,1.52693271636963,90.0374908447266,380.579162597656,1.34396553039551,8.0,-39.7346878051758,395.764465332031,4.71219968795776,4.29992771148682,9.0,-5.38462972640991,444.308013916016,7.0,321.839263916016,3.0,0.0,1.0,0.726990580558777,2.75489544868469,268.0,0.320830166339874,12.1500825881958,3.11111111111111,0.0321821495890617,1.8,2.00414514541626,118.681030273438,0.5,1.51470005512238,11.8500003814697,0.0,0.400000005960464,79.0715408325195,0.568751096725464,2.33999991416931,34.8952751159668,0.273009449243546,0.0,3.50030946731567,0.20412415266037,0.0,-0.120482534170151,10.9320697784424,0.0,-0.016327140852809,0.0,0.666666686534882,1.59538793563843,0.125,329.796234130859,1.10517168045044,0.243496358394623,,9.15285110473633,0.00121357454918325,2.249,0.144337564706802,-0.000279268540907651,7.73231601715088,8.12963104248047,-0.000278649618849158,3.96540641784668,,40.0862007141113,0.492799282073975,-4.63812102680095e-05,239.758758544922,0.594861328601837,18.3389129638672,-2.44767352342024e-06,1.0,105.808586120605,0.492799282073975,0.0708043053746223,,10.6135520935059,60.0,0.253933906555176,5.44758939743042,0.432934492826462,0.253933906555176,2.93799996376038,0.0,0.169289261102676,2.0,0.0,0.0,3.11111116409302,0.102062076330185,29.6940269470215,0.0,6.0,0.0,,1.79999995231628,0.0721687823534012,149.721267700195,-13.1043510437012,5.09385824203491,0.0320750139653683,0.139904662966728,145.543273925781,35.82,0.0,0.117851130664349,-1.77583074569702,2.97134375572205,0.0,0.0,15.9981813430786,0.843566119670868,1.83915197849274,0.0226804614067078,,0.0,,0.342279940843582,1.25107300281525,0.140554934740067,0.713712811470032,2.2943160533905,0.407100260257721
InChI%3D1S%2FC18H26O5%2Fc1-12-6-5-9-14%2819%298-4-2-3-7-13-10-15%2820%2911-16%2821%2917%2813%2918%2822%2923-12%2Fh10-12%2C14%2C19-21H%2C2-9H2%2C1H3,0.312511026859283,1.34899568557739,14.0591697692871,5.0,6.89726161956787,4.0,296.192992210388,0.691203057765961,0.786048769950867,0.0,0.162598893046379,0.79595959186554,26.8723449707031,-0.392585426568985,5.52881288528442,154.516891479492,1420.81787109375,1.33539569377899,25.9925518035889,-322.206726074219,1595.26159667969,5.55306959152222,7.73439693450928,36.0953903198242,-40.4753303527832,2066.02978515625,39.317195892334,2217.919921875,45.3047866821289,0.0,0.0,0.720150649547577,0.0,1994.05004882812,1.50169587135315,15.9997510910034,9.474609375,0.0450731180608273,6.09418282548476,1.95609426498413,2230.19287109375,1.86484360694885,-2.66849994659424,11.9966630935669,0.308796972036362,0.300000011920929,219.546539306641,0.407298356294632,2.89000010490417,457.809967041016,0.279849380254745,0.0,13.7410793304443,1.61520767211914,,-0.583556592464447,31.2973823547363,0.0,-0.0733058750629425,0.212690398097038,0.428571432828903,6.30724716186523,0.0,381.642974853516,4.09960126876831,0.393253177404404,0.0,53.3190116882324,0.460017919540405,3.2908,1.81424129009247,-0.217294499278069,12.6762380599976,10.170352935791,0.0593535155057907,19.0980911254883,0.0,78.5240020751953,2.87188720703125,-0.117039069533348,397.626190185547,5.10298681259155,101.415031433105,0.107999637722969,0.0,829.151000976562,6.22625827789307,0.0566149801015854,1.0,24.8868083953857,392.0,1.04144847393036,5.11224126815796,0.487328439950943,1.39559316635132,3.23600006103516,0.0,1.48693943023682,0.0,86.99,3.0,9.474609375,0.0555555559694767,85.3154296875,0.0,11.0,0.92028933763504,0.0,6.09418296813965,0.182469829916954,243.109298706055,-177.904205322266,13.6243925094604,0.020833333954215,0.1882134526968,1151.35766601562,86.6789,170.500106811523,0.64108020067215,-22.3481712341309,8.40971183776855,0.970983564853668,0.0,65.3621368408203,0.753469526767731,6.39900779724121,0.0437819585204124,3.0,0.052069615572691,1.0,0.440768897533417,4.32777738571167,0.142104625701904,3.05996179580688,7.12089204788208,1.96998369693756
InChI%3D1S%2FC19H23N3%2Fc1-14-6-8-18%2816%283%2910-14%2920-12-22%285%2913-21-19-9-7-15%282%2911-17%2819%294%2Fh6-13H%2C1-5H3,0.111675068736076,0.725323855876923,17.4261169433594,3.0,3.27389073371887,8.0,270.22999382019,0.961365103721619,0.209164381027222,0.0,0.181176513433456,1.68593454360962,23.079963684082,-0.244727745652199,5.72187232971191,181.096282958984,1387.87707519531,1.42359638214111,24.1632976531982,-238.504455566406,1542.56420898438,2.63805937767029,10.0183095932007,32.3847160339355,-12.3155908584595,2000.84338378906,31.9942226409912,1882.27136230469,24.3570995330811,0.0,4.0,0.742345750331879,1.54376125335693,1654.03002929688,0.97767198085785,14.0051031112671,8.74089490114464,0.0308950785547495,5.8641975308642,7.77146196365356,1428.86767578125,6.40648508071899,3.22140002250671,11.8500003814697,0.0386349037289619,0.5,366.733581542969,0.612674534320831,3.22000002861023,482.989440917969,0.257654249668121,0.0,15.2627849578857,1.67076325416565,27.9599990844727,-0.339331567287445,29.7637615203857,0.25,-0.0175219736993313,0.235702261328697,1.0,5.45541572570801,0.173913043478261,675.710388183594,4.05596828460693,0.328350394964218,2.0,83.8604049682617,0.221172869205475,4.8718,1.20028328895569,-0.186606049537659,6.14065170288086,9.37973117828369,0.165028631687164,12.7102041244507,0.0,100.993698120117,3.12910223007202,-0.158543229103088,521.769226074219,4.07780075073242,197.93017578125,0.112170286476612,4.0,687.171936035156,5.09798383712769,0.0967475771903992,0.0,21.7150859832764,493.0,1.28525996208191,6.07121133804321,0.475397884845734,1.47128522396088,3.0550000667572,0.0,1.49078774452209,6.0,27.96,3.0,8.74089527130127,0.136082768440247,127.286338806152,0.0,17.0,0.0,0.0,5.86419773101807,0.368390560150146,340.672943115234,-167.63655090332,13.9604425430298,0.0481125228106976,0.18506233394146,925.676391601562,95.899,27.1551418304443,0.900179088115692,-8.65620422363281,7.40329027175903,0.0,0.0,34.0306777954102,0.687974810600281,5.73448991775513,0.117741622030735,0.0,0.0745356008410454,0.0,0.335523903369904,3.46250462532043,0.0738453194499016,2.23682713508606,10.3774175643921,1.2901850938797
InChI%3D1S%2FC15H14Cl2F3N3O3%2Fc1-3-26-13%2824%2910%2817%294-8-5-12%2811%2818%296-9%288%2916%2923-15%2825%2922%2814%2819%2920%297%282%2921-23%2Fh5-6%2C10%2C14H%2C3-4H2%2C1-2H3,0.371390044689178,0.98779582977295,16.6220397949219,4.0,10.0921936035156,5.0,398.082989692688,0.793310344219208,0.587563931941986,0.0,0.222808673977852,0.661965668201447,49.3350105285645,-0.329440176486969,5.48134803771973,335.078155517578,1594.91943359375,1.2688330411911,35.3342971801758,-787.767578125,1875.72497558594,2.18699550628662,10.4787263870239,55.9228210449219,-61.6231346130371,2650.70825195312,64.8817825317383,2735.28344726562,67.1819458007812,0.0,7.0,0.535596489906311,0.121668711304665,1199.10998535156,1.25918555259705,34.969856262207,9.46745562130178,0.0373551845550537,5.09342560553633,1.50225532054901,2494.30322265625,3.23540425300598,2.30010008811951,11.9884796142578,0.206689670681953,0.461538463830948,278.829681396484,0.566149353981018,1.89999997615814,655.527648925781,0.464403480291367,5.0,19.4469795227051,2.25423812866211,,-1.09181094169617,29.0723114013672,0.0,-0.0854069367051125,0.768694400787354,0.857142865657806,7.57652282714844,0.259259259259259,572.392272949219,5.15545129776001,0.329763859510422,0.0,68.002571105957,0.886712074279785,3.243,2.49416971206665,-0.559253811836243,1.57780849933624,10.9009342193604,0.29700893163681,11.0652961730957,0.0,91.394302368164,5.29610776901245,-0.28104293346405,386.445617675781,8.33028793334961,122.646293640137,0.130621001124382,7.0,908.532287597656,11.1513414382935,0.0398245751857758,1.0,26.9526519775391,526.0,1.94238328933716,3.71550059318542,0.426818609237671,2.34762477874756,3.07100009918213,0.078567422926426,2.77377724647522,8.0,66.12,6.0,9.46745586395264,0.303412228822708,241.766860961914,0.0288675129413605,11.0,0.111111111938953,0.0,5.09342575073242,0.617656052112579,51.3674545288086,-568.393005371094,15.3218173980713,0.0925863832235336,0.133786827325821,1696.2998046875,88.76,149.13151550293,1.00164437294006,-44.4625549316406,8.43720054626465,0.471404522657394,0.0,88.5757904052734,0.744076907634735,6.36074876785278,0.147609978914261,0.0,0.207344710826874,2.0,0.275865077972412,4.33819580078125,0.128960177302361,2.88491129875183,5.29046010971069,1.86367797851562
InChI%3D1S%2FC24H27N3O4%2Fc1-17-21%2822%2827%285%2926-17%2930-20-9-7-6-8-10-20%2915-25-29-16-18-11-13-19%2814-12-18%2923%2828%2931-24%282%2C3%294%2Fh6-15H%2C16H2%2C1-5H3,0.293820798397064,0.955175757408142,21.749532699585,6.0,4.62200021743774,10.0,394.280990600586,0.912486732006073,0.522760212421417,0.0,0.234920158982277,1.35675144195557,35.1778411865234,-0.324989348649979,6.33039903640747,215.225799560547,1874.20678710938,1.20528411865234,36.5707473754883,-511.516967773438,2135.89038085938,0.537149548530579,14.0623826980591,51.9783363342285,-24.1264781951904,2886.197265625,49.0339584350586,2660.28442382812,46.5877494812012,0.400594353675842,9.0,0.714089393615723,0.0932754278182983,3166.07006835938,1.6971423625946,15.9979448318481,11.9234404536862,0.0342544354498386,8.06584362139918,6.40968894958496,2360.06176757812,5.37931966781616,2.26399993896484,11.8900003433228,0.0875132754445076,0.5,404.651000976562,0.496821284294128,3.32999992370605,961.71484375,0.2859106361866,0.0,19.4108638763428,3.11484742164612,,-0.679510235786438,41.9154167175293,0.25,-0.0320501364767551,0.365856766700745,1.0,8.48501682281494,0.272727272727273,686.895385742188,6.22382640838623,0.291059076786041,1.0,116.688430786133,0.625993251800537,5.02680000000001,2.68826079368591,-0.283996939659119,11.0891923904419,10.2907934188843,-0.0151806613430381,16.3088397979736,0.0,128.083099365234,4.28997325897217,-0.102268852293491,537.547180175781,6.93486785888672,259.216644287109,0.0556135140359402,9.0,1277.56298828125,8.57505989074707,0.062380712479353,3.0,25.7858142852783,924.0,1.81360375881195,4.8949818611145,0.369014889001846,2.34572005271912,3.57399988174438,0.078567422926426,2.44044899940491,7.0,74.94,4.0,11.9234399795532,0.453641355037689,162.016174316406,0.0430331490933895,9.0,0.0,0.0,8.06584358215332,0.590638935565948,322.321380615234,-385.05615234375,18.7400798797607,0.188332498073578,0.136676371097565,1789.07995605469,118.4545,65.8776245117188,1.89100027084351,-18.1617603302002,10.412296295166,0.543690204620361,0.20412415266037,49.9122924804688,0.975184500217438,8.65423011779785,0.204523503780365,0.0,0.12015949934721,1.0,0.339447975158691,4.82290697097778,0.123581647872925,3.28390169143677,5.12569618225098,2.03958749771118
InChI%3D1S%2FC11H13F3N2O3S%2Fc1-6-4-7%282%2910%285-9%286%2915-8%283%2917%2916-20%2818%2C19%2911%2812%2C13%2914%2Fh4-5%2C16H%2C1-3H3%2C%28H%2C15%2C17%29,0.511812686920166,0.64859277009964,12.2183637619019,5.0,4.32963848114014,4.0,297.192994117737,0.676140666007996,0.346795320510864,0.0,0.187862679362297,0.966678380966187,33.6772689819336,-0.348256319761276,4.11839818954468,277.126708984375,1220.27478027344,1.69257426261902,31.4720516204834,-505.970367431641,1399.18811035156,6.49561595916748,7.13328742980957,51.273250579834,-49.4443321228027,1991.07641601562,45.5094223022461,1965.10925292969,34.4396209716797,0.0,4.0,0.520512878894806,0.687587916851044,709.090026855469,0.950338184833527,31.9720726013184,6.40582726326743,0.0476157106459141,4.76470588235294,2.00414514541626,1605.30102539062,5.36573028564453,2.63299989700317,11.8900003433228,0.323859304189682,0.444444447755814,173.873916625977,0.611404120922089,1.67999994754791,317.454254150391,0.479487091302872,3.0,15.9057159423828,3.42009282112122,87.1399993896484,-0.875434398651123,26.2766914367676,0.25,-0.0855490192770958,2.04636240005493,0.800000011920929,4.00502729415894,0.2,390.785583496094,3.41095876693726,0.337066262960434,1.0,40.2544784545898,0.669961452484131,4.2536,1.35135185718536,-0.306460589170456,0.333333343267441,10.7926979064941,-0.213711097836494,5.9111213684082,0.0,70.0252990722656,6.36481714248657,0.20729586482048,300.838195800781,5.76384973526001,80.8716506958008,0.0475256852805614,4.0,549.262145996094,7.62014389038086,0.0791168436408043,0.0,27.5202102661133,280.0,1.5284651517868,4.48444938659668,0.597365438938141,1.51105725765228,1.62600004673004,0.0,1.87703907489777,8.0,87.14,5.0,6.40582704544067,0.0555555559694767,160.169525146484,0.0,13.0,0.595275402069092,0.0,4.76470565795898,0.189678534865379,23.7114734649658,-292.433135986328,11.3666276931763,0.020833333954215,0.190706938505173,1055.23254394531,69.9555,187.179321289062,1.05971682071686,-28.5770893096924,6.21756982803345,0.0,0.0595393516123295,76.9645462036133,0.691609859466553,5.10458946228027,0.0614002831280231,1.0,0.185758993029594,2.0,0.483804643154144,2.9913158416748,0.280305474996567,1.79952001571655,6.93268918991089,1.24403214454651
InChI%3D1S%2FC6H10O%2Fc1-4-6%283%2C7%295-2%2Fh1%2C7H%2C5H2%2C2-3H3,0.216669589281082,0.0,5.09027242660522,1.0,0.0,0.0,88.0649976730347,0.884776413440704,0.0,0.0,0.194913595914841,0.725946247577667,7.77446889877319,-0.405012279748917,1.34468424320221,128.964462280273,256.9697265625,1.12117719650269,6.33209180831909,-86.1340255737305,253.423736572266,15.882960319519,3.0196418762207,8.99627590179443,-19.9523792266846,292.965393066406,6.66418409347534,174.417388916016,1.0,0.0,1.0,0.618693053722382,3.44414949417114,214.009994506836,0.413218647241592,15.9949159622192,2.34375,0.0306193716824055,2.66666666666667,3.30192732810974,24.9295864105225,0.0,0.222499996423721,11.6899995803833,0.115223579108715,0.5,70.7727203369141,0.357751816511154,2.00999999046326,47.2683639526367,0.381306946277618,0.0,3.50257086753845,1.20710682868958,20.2299995422363,-0.254670947790146,10.9320697784424,0.0,-0.0589928515255451,0.0,1.0,0.25,0.166666666666667,299.246368408203,0.0,0.264167457818985,0.0,7.22873115539551,0.0844352319836617,0.7806,0.0,-0.0301410686224699,0.5,7.85450315475464,-0.0126671520993114,0.0,0.0,27.1746006011963,1.70710682868958,0.000635935924947262,209.252456665039,1.0,15.2666826248169,-4.53322791145183e-05,1.0,139.757537841797,0.0,0.142614424228668,0.0,10.3559894561768,34.0,0.626202881336212,4.61046981811523,0.45747983455658,0.272406101226807,0.763000011444092,0.0,0.0,7.0,20.23,1.0,2.34375,0.0,43.6179656982422,0.0,2.0,0.0,0.0,2.66666674613953,0.0,80.2879867553711,-29.1319847106934,4.73167085647583,0.0,0.565056145191193,225.891555786133,29.7478,38.9705657958984,0.525750935077667,-6.74823236465454,2.32294201850891,0.0,0.079056940972805,30.3083686828613,0.768234312534332,1.77174508571625,0.0,1.0,0.0,0.0,0.305945545434952,0.999393343925476,0.317084610462189,0.102062076330185,0.0495062507688999,0.0
InChI%3D1S%2FC8H14N4OS%2Fc1-8%282%2C3%295-6%2813%2912%289%297%2814-4%2911-10-5%2Fh9H2%2C1-4H3,0.237080544233322,0.72777646780014,8.61852931976318,5.0,1.65096366405487,0.0,200.181998252869,0.835703015327454,0.466049015522003,0.0,0.179001972079277,1.63272130489349,22.3421745300293,-0.277196317911148,2.05598664283752,127.082664489746,1007.70196533203,1.67384541034698,19.0563793182373,-189.626037597656,1140.0166015625,4.23571491241455,4.92982149124146,27.6357707977295,-23.6758441925049,1578.50500488281,31.883472442627,1519.49462890625,25.6315822601318,0.0,2.0,0.699304699897766,0.299733579158783,842.059997558594,1.04346549510956,31.972677230835,4.24489795918367,0.04134401679039,2.5344,0.0,1103.51623535156,3.77047395706177,0.739300012588501,11.9984741210938,0.164296984672546,0.428571432828903,124.906715393066,0.62109649181366,1.67999994754791,186.379196166992,0.300695300102234,0.0,7.38468599319458,2.03544330596924,,-0.448681622743607,22.9157257080078,1.0,-0.0560203455388546,0.628930926322937,0.75,3.51274609565735,0.142857142857143,353.192626953125,2.06527900695801,0.23855422437191,0.0,21.541524887085,0.268598765134811,0.3715,0.874857902526855,-0.130628883838654,0.0,10.7887268066406,-0.0144954202696681,0.0,0.0,58.6533012390137,3.39415693283081,-0.0335677973926067,295.546691894531,5.17769384384155,46.7087440490723,0.0521466694772243,2.0,440.999145507812,6.40128183364868,0.189443141222,0.0,17.4731960296631,144.0,1.90344846248627,5.5661506652832,0.506475985050201,2.20140957832336,1.3860000371933,0.0,2.22962236404419,4.0,99.1,5.0,4.24489784240723,0.0555555559694767,53.7088661193848,0.0,4.0,0.0,1.0,2.53439998626709,0.17817260324955,168.46403503418,-80.1415328979492,9.81225776672363,0.0186339002102613,0.185682743787766,630.625183105469,56.9234,69.4367294311523,1.72354829311371,-10.0061073303223,5.78068113327026,0.0,0.288675129413605,41.149040222168,0.584425568580627,5.33920860290527,0.0505042672157288,0.0,0.292894273996353,1.0,0.546272993087769,2.98600840568542,0.158848136663437,1.82686865329742,0.546564519405365,1.01926302909851
InChI%3D1S%2FC15H10O7%2Fc16-7-4-10%2819%2912-11%285-7%2922-15%2814%2821%2913%2812%2920%296-1-2-8%2817%299%2818%293-6%2Fh1-5%2C16-19%2C21H,0.256984502077103,0.926616668701172,,6.0,15.1241436004639,1.0,292.157992362976,,0.529114484786987,0.0,,,27.4212837219238,-0.386504948139191,,,1322.07177734375,,26.6567363739014,,1593.6826171875,,,41.3134727478027,,2329.41552734375,48.6331558227539,2463.5390625,44.1858177185059,0.0,1.0,,,834.070007324219,,16.0068874359131,6.48148148148148,,3.16534777176177,0.0,2039.6943359375,0.0,-2.92689990997314,11.9884796142578,,0.5,,,2.33999991416931,,,0.0,,1.96120929718018,127.449996948242,,15.9924840927124,0.0,,0.62265956401825,1.0,7.13195848464966,0.0416666666666667,,5.547278881073,,0.0,,0.730861186981201,1.988,2.80223941802979,-0.126953318715096,2.60102272033691,10.0207033157349,-0.251307457685471,15.9185342788696,0.0,26.5088005065918,4.74640226364136,-0.146527543663979,,7.5570855140686,,0.230812728404999,1.0,,11.1309700012207,,1.0,,368.0,1.31305491924286,4.92051410675049,,1.70420050621033,0.0280000008642673,0.0,2.05662989616394,0.0,131.36,2.0,6.48148155212402,0.168957859277725,,0.0,11.0,2.4663667678833,0.0,3.16534781455994,0.533011436462402,,,11.0940160751343,0.0618999414145947,,,76.244,,0.687337934970856,,6.34999465942383,1.41714465618134,0.0,,,4.93372344970703,0.11434417963028,5.0,0.115376368165016,1.0,,3.44985365867615,,2.38159418106079,8.56674385070801,1.62139940261841
InChI%3D1S%2FC8H7N3O5%2Fc1-4-6%288%289%2912%292-5%2810%2813%2914%293-7%284%2911%2815%2916%2Fh2-3H%2C1H3%2C%28H2%2C9%2C12%29,,0.334464758634567,8.90246391296387,6.0,5.45069169998169,4.0,218.103995323181,0.804729163646698,0.112344652414322,0.0,0.15188093483448,0.379455000162125,20.9523086547852,,3.75270128250122,260.895812988281,737.714416503906,1.43896877765656,19.0445117950439,-311.726806640625,857.123779296875,7.52484512329102,4.7703070640564,27.5937900543213,-40.1343765258789,1187.60485839844,29.4842166900635,1204.37585449219,28.8404808044434,0.0,3.0,0.359266638755798,4.27857208251953,289.079986572266,0.429263472557068,,5.55765595463138,0.0359982177615166,3.25,0.666666686534882,920.047607421875,2.30526971817017,0.467200011014938,,0.195270851254463,0.333333343267441,59.5657234191895,0.552894830703735,1.46000003814697,71.1710662841797,0.640733361244202,0.0,5.9684362411499,1.63128232955933,112.360000610352,-0.765569031238556,10.1644487380981,0.0,-0.0985659137368202,0.595967054367065,0.5,3.84511208534241,0.1875,327.672119140625,2.87405204772949,0.421535164117813,0.0,21.1356372833252,0.214048847556114,2.7412,0.786863386631012,-0.0482692793011665,0.5,,0.0228537023067474,5.67623996734619,0.0,19.7500991821289,3.47864675521851,0.0647455826401711,146.287307739258,4.55761384963989,36.8309288024902,-0.147315219044685,3.0,174.788833618164,6.33161878585815,0.0426235944032669,0.0,14.6578674316406,158.0,0.9360431432724,,0.557886481285095,1.07178688049316,2.32500004768372,0.0,1.15734958648682,2.0,135.72,2.0,5.55765581130981,0.0555555559694767,106.232368469238,0.0,15.0,2.07621812820435,0.0,3.25,0.151780605316162,-114.608497619629,-126.929893493652,8.12933444976807,0.020833333954215,0.288455873727798,486.515625,58.2805,79.5109939575195,0.46669140458107,-16.342041015625,4.05581760406494,0.0,0.0,54.7922439575195,0.611343741416931,3.00028252601624,0.0498838983476162,1.0,0.107677571475506,4.0,0.32818740606308,2.02767515182495,0.183672919869423,1.22511601448059,0.218275845050812,0.715298771858215
InChI%3D1S%2FC10H23O2PS2%2Fc1-6-9%284%2914-13%2811%2C12-8-3%2915-10%285%297-2%2Fh9-10H%2C6-8H2%2C1-5H3,0.301960587501526,2.11401557922363,16.6768665313721,4.0,0.25,0.0,247.215999603271,0.915195107460022,1.00390303134918,0.0,0.28777688741684,1.44692659378052,34.4548568725586,-0.310667276382446,3.27202892303467,106.16397857666,1027.95495605469,1.5726490020752,34.3120613098145,-110.936180114746,1107.3515625,2.93743181228638,11.957911491394,46.8755722045898,-15.4790639877319,1335.33129882812,37.5733680725098,1297.45678710938,36.1652183532715,0.0,8.0,0.800445258617401,0.190999314188957,1159.05004882812,0.836426258087158,31.9730739593506,7.30246913580247,0.0222966242581606,6.22222222222222,4.15736055374146,1253.4677734375,3.19577169418335,0.898800015449524,11.8900003433228,0.0848048850893974,0.5,226.548904418945,0.66566389799118,2.00999999046326,236.732559204102,0.199554726481438,0.0,6.31058263778687,1.50412690639496,86.7099990844727,-0.208524957299232,35.4977607727051,0.0,-0.0290957484394312,0.0,1.0,2.86220788955688,0.571428571428571,486.887756347656,1.53402709960938,0.196201652288437,0.0,61.1632385253906,0.284359306097031,5.1944,0.34552201628685,-0.241308927536011,0.56462162733078,11.8770046234131,0.20266580581665,2.21041893959045,1.0,70.0996017456055,2.12605309486389,-0.098823457956314,425.840362548828,3.61805701255798,134.453475952148,-0.0204157624393702,8.0,444.982391357422,3.96677088737488,0.0867624953389168,1.0,11.8619003295898,164.0,3.26287221908569,5.26753902435303,0.464079976081848,5.44970560073853,3.22099995613098,0.0,6.20048666000366,15.0,86.71,2.0,7.30246925354004,0.0,56.4796981811523,0.0,3.0,0.0,2.0,6.22222232818604,0.0,319.676361083984,-59.0185279846191,12.2131633758545,0.0,0.297245770692825,555.918579101562,73.9205,45.1165657043457,2.09599328041077,-8.23492908477783,7.98739242553711,0.5,0.16778901219368,27.3409652709961,0.716332018375397,7.9396915435791,0.0,0.0,0.0,1.0,0.442905098199844,6.1216926574707,0.288928955793381,5.14186000823975,0.807841420173645,3.25746941566467
InChI%3D1S%2FC16H12N2O4S%2Fc19-15-9-6-11-10-13%2823%2820%2C21%2922%297-8-14%2811%2916%2815%2918-17-12-4-2-1-3-5-12%2Fh1-10%2C19H%2C%28H%2C20%2C21%2C22%29,0.315196573734283,0.939475119113922,20.0939254760742,5.0,5.63006162643433,14.0,316.252994537354,0.829107284545898,0.576150417327881,0.0,0.347345590591431,0.182422980666161,32.9456062316895,-0.358193814754486,3.90747880935669,341.458099365234,1611.57250976562,1.11377239227295,35.3634338378906,-612.482543945312,1881.17858886719,7.01060819625854,16.0040245056152,44.3205490112305,-46.3676643371582,2662.93310546875,44.0454406738281,2637.3544921875,38.0454406738281,0.0,3.0,0.471617668867111,0.396575003862381,863.070007324219,0.845953285694122,31.9728298187256,7.48611111111111,0.0436290316283703,4.34567901234568,0.0,2147.30981445312,0.0,0.906199991703033,11.9989995956421,0.170892745256424,0.5,196.955596923828,0.543564856052399,2.45000004768372,353.284545898438,0.528382301330566,0.0,18.2202281951904,2.38902163505554,107.699996948242,-0.947773575782776,20.9144840240479,1.0,-0.0717506855726242,0.652834713459015,1.0,6.48517751693726,0.12,535.796447753906,5.40375137329102,0.194460690021515,2.0,66.1677017211914,0.330427646636963,4.9457,2.82216215133667,-0.121894910931587,10.8801965713501,11.0587959289551,-0.0595823004841805,17.2312812805176,0.0,90.6166000366211,4.14052724838257,-0.00379008566960692,304.77490234375,5.68380975723267,97.6695175170898,0.0678284093737602,3.0,546.682922363281,7.66769027709961,0.00907851289957762,0.0,28.1945190429688,453.0,1.33779466152191,5.51810741424561,0.473657459020615,1.52228581905365,1.35500001907349,0.0,1.74407553672791,3.0,110.53,5.0,7.48611116409302,0.225659012794495,220.661483764648,0.0,23.0,1.5,0.0,4.34567880630493,0.366992384195328,-36.6831893920898,-395.806457519531,12.245964050293,0.0769646093249321,0.199650287628174,1159.16552734375,84.2382,110.436531066895,0.790209114551544,-29.9643135070801,7.45955228805542,0.0,0.0323152802884579,74.5621795654297,0.821185827255249,5.62574052810669,0.103810988366604,2.0,0.131484463810921,2.0,0.0965500921010971,3.73855066299438,0.164366856217384,2.43786215782166,0.821198463439941,1.69425964355469
InChI%3D1S%2FC5H12NO3PS2%2Fc1-6-5%287%294-12-10%2811%2C8-2%299-3%2Fh4H2%2C1-3H3%2C%28H%2C6%2C7%29,0.218441024422646,0.954594135284424,11.0422859191895,6.0,0.0,0.0,217.167000770569,0.728284001350403,0.212132036685944,1.0,0.247233256697655,1.03128278255463,32.5893135070801,-0.355053573846817,2.69021415710449,118.014739990234,666.173950195312,1.56926357746124,30.6388301849365,-157.101181030273,704.431762695312,12.3754787445068,7.3207893371582,38.5858688354492,-32.5543365478516,833.663330078125,30.2580890655518,724.608337402344,17.4464111328125,0.5,5.0,0.737381875514984,3.96326160430908,397.070007324219,0.981602430343628,31.9730739593506,5.61224489795918,0.0425775237381458,4.59183673469388,0.825481832027435,475.894866943359,0.814325273036957,1.04579997062683,11.9964008331299,0.271715998649597,0.428571432828903,148.907135009766,0.628775775432587,1.24000000953674,198.225112915039,0.262618154287338,0.0,8.59811878204346,1.215451836586,118.25,-0.349597156047821,24.6104831695557,0.0,-0.0724431499838829,0.0,0.75,1.40253889560699,0.454545454545455,327.274597167969,0.901047587394714,0.243628367781639,1.0,30.0186653137207,0.478371769189835,2.4738,0.144337564706802,-0.358653157949448,0.0,11.0997219085693,0.239044800400734,1.0,1.0,55.2911987304688,2.32490611076355,-0.154271006584167,331.362976074219,2.09136271476746,61.3715400695801,-0.135061085224152,5.0,441.110260009766,1.24075376987457,0.0933939591050148,2.0,19.1333904266357,120.0,4.25147008895874,5.1856746673584,0.539100646972656,3.88547134399414,1.48300004005432,0.0,1.85276019573212,12.0,118.25,4.0,5.61224508285522,0.0,53.0331916809082,0.0,4.0,0.0,1.0,4.59183692932129,0.0,213.348236083984,-70.5977630615234,9.70916080474854,0.0,0.261304616928101,598.21142578125,56.9748,122.10311126709,2.26160097122192,-14.6291942596436,7.31228303909302,0.400000005960464,0.335410207509995,51.6877288818359,0.737047791481018,8.24953651428223,0.0,1.0,0.0,0.0,0.401387125253677,6.72856330871582,0.164815425872803,3.07140851020813,1.09369766712189,1.79480946063995
InChI%3D1S%2FC3H6N2S%2Fc6-3-4-1-2-5-3%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29,0.174878552556038,0.0,4.20968723297119,3.0,0.0,0.0,96.1140003204346,0.875910639762878,0.0,0.0,0.237326338887215,0.276428073644638,12.847728729248,-0.266930758953094,1.19793713092804,94.2784118652344,306.804779052734,1.33783268928528,8.33452606201172,-60.6985855102539,315.960357666016,4.94070672988892,2.73532176017761,11.9192867279053,-15.9693803787231,352.726928710938,5.33957052230835,90.0037307739258,0.0,0.0,0.0,0.667324125766754,1.42558443546295,114.029998779297,0.429638475179672,31.972677230835,1.63265306122449,0.0448986813426018,0.979591836734694,0.0,0.0,0.0,0.351799994707108,11.9985771179199,0.124089352786541,0.333333343267441,53.5943183898926,0.415079712867737,1.46000003814697,34.505241394043,0.332675844430923,0.0,3.60591506958008,0.288675129413605,63.189998626709,-0.214184284210205,10.8192415237427,0.5,-0.0563504137098789,0.0,0.5,1.12993609905243,0.0,248.227996826172,0.288675129413605,0.284566789865494,1.0,4.36400699615479,0.155081227421761,-0.3602,0.0,-0.111370421946049,1.0,8.60701370239258,0.0383092723786831,1.0,0.0,26.6289005279541,0.40824830532074,-0.00447946460917592,189.115798950195,0.433012694120407,9.47947788238525,0.0,0.0,121.757049560547,0.0,0.0656647533178329,0.0,12.7240257263184,29.0,0.212132036685944,6.56010770797729,0.564611792564392,0.224999994039536,0.122000001370907,0.144337564706802,0.0,0.0,63.19,2.0,1.63265311717987,0.144337564706802,26.7179546356201,0.0559016987681389,3.0,0.0,0.0,0.979591846466064,0.0,94.837387084961,-17.2016277313232,4.20306777954102,0.0750000029802322,0.413182497024536,182.455642700195,23.9281,35.166202545166,0.150000005960464,-4.52562999725342,2.31420826911926,0.0,0.0,28.6934070587158,0.734724938869476,1.55571103096008,0.0,0.0,0.0,0.0,0.358141154050827,0.956023514270782,0.206047922372818,0.597213566303253,0.123763240873814,0.150000005960464
InChI%3D1S%2FC10H15N5%2Fc11-9%2812%2915-10%2813%2914-7-6-8-4-2-1-3-5-8%2Fh1-5H%2C6-7H2%2C%28H6%2C11%2C12%2C13%2C14%2C15%29,0.15174189209938,0.312156647443771,12.3136196136475,5.0,0.825481832027435,5.0,190.144996643066,0.811961352825165,0.160451516509056,0.0,0.30970174074173,0.875431835651398,16.7999401092529,-0.279642194509506,2.24891495704651,158.60710144043,780.186218261719,1.59969282150269,16.1632976531982,-264.937652587891,824.640808105469,4.52624797821045,9.1892728805542,20.3261127471924,-28.3753986358643,956.5380859375,16.1632976531982,815.356872558594,15.1046934127808,0.0,6.0,0.6645827293396,2.72900700569153,690.049987792969,1.11012041568756,14.0070991516113,7.30246913580247,0.0649457573890686,6.22222222222222,0.0,658.674743652344,0.0,1.04729998111725,11.8500003814697,0.188038617372513,0.5,148.601593017578,0.591869950294495,2.00999999046326,248.224426269531,0.3354172706604,0.0,14.5219583511353,0.901047587394714,97.7799987792969,-0.560281753540039,17.05810546875,0.5,-0.0600073933601379,0.0,1.0,3.15339183807373,0.4,383.948150634766,1.91163158416748,0.182636395096779,0.0,30.6792469024658,0.183363944292068,0.2366,0.652908384799957,-0.162602126598358,9.56307411193848,8.77326965332031,0.137566208839417,5.81609010696411,0.0,58.7990989685059,1.03950572013855,-0.115240670740604,314.257934570312,1.61026334762573,61.0844459533691,0.06144829839468,6.0,524.937133789062,1.32316255569458,0.0710946023464203,0.0,30.7105770111084,235.0,0.330944657325745,5.097008228302,0.540472388267517,0.378841519355774,1.66700005531311,0.0,0.292058408260345,9.0,97.78,5.0,7.30246925354004,0.102062076330185,74.9997482299805,0.0,7.0,0.0,0.0,6.22222232818604,0.0721687823534012,155.650833129883,-125.279754638672,8.37831497192383,0.0320750139653683,0.166862040758133,789.874816894531,60.9252,88.9168930053711,0.252519905567169,-13.4177331924438,4.65646553039551,0.0,0.0,59.0859756469727,0.800018429756165,3.07605028152466,0.0226804614067078,0.0,0.0,0.0,0.467350423336029,1.8179452419281,0.113383643329144,1.15537774562836,1.09683728218079,0.664107263088226
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%2C1-4H3,0.262632638216019,1.04085147380829,15.0383167266846,4.0,1.06664621829987,0.0,328.237991333008,0.877093315124512,0.427991777658463,0.0,0.128126159310341,2.53966236114502,29.0978755950928,-0.316324681043625,4.91681337356567,114.712501525879,1303.87524414062,1.28965997695923,26.9925518035889,-224.986953735352,1337.68701171875,0.599798440933228,7.58184146881104,31.5414905548096,-21.9763584136963,1472.62731933594,32.3209190368652,1475.82543945312,31.3209190368652,0.142857149243355,19.0,0.82754510641098,0.700124323368073,3839.0400390625,1.62307369709015,15.9979372024536,18.3673469387755,0.0283766184002161,15.7526753864447,8.03979301452637,1392.97229003906,2.24943399429321,-2.28920006752014,11.8900003433228,0.122906677424908,0.473684221506119,366.152557373047,0.419134527444839,3.44000005722046,718.139221191406,0.172454908490181,0.0,12.5554132461548,0.98559856414795,52.5999984741211,-0.338237792253494,51.6626930236816,0.0,-0.0330385193228722,0.0,0.899999976158142,4.40548419952393,0.76,583.419555664062,3.22417974472046,0.326952368021011,0.0,69.0208587646484,0.536209285259247,6.06600000000001,1.09640455245972,-0.334569275379181,16.182544708252,9.01786708831787,0.124197535216808,12.4563493728638,0.0,92.5029983520508,1.80209517478943,-0.0349373295903206,550.461364746094,1.96531772613525,178.733978271484,0.0354279801249504,19.0,1079.62622070312,2.02986979484558,0.168879434466362,2.0,18.8753852844238,720.0,1.03025674819946,4.45367765426636,0.504337310791016,1.02661406993866,7.35599994659424,0.0,0.912182211875916,26.0,52.6,4.0,18.3673477172852,0.0,76.3037567138672,0.0,3.0,0.142857149243355,0.0,15.7526750564575,0.0,435.748901367188,-149.65544128418,17.6871891021729,0.0,0.160772353410721,1304.61315917969,106.998,81.7543106079102,0.526099443435669,-14.6181001663208,10.8788709640503,1.06904494762421,0.0,40.8517456054688,0.894692957401276,7.40613651275635,0.0,0.0,0.0,2.0,0.366188198328018,5.05840015411377,0.13330814242363,2.90082335472107,5.24043655395508,1.89997231960297
InChI%3D1S%2FC6Cl5NO2%2Fc7-1-2%288%294%2810%296%2812%2813%2914%295%2811%293%281%299,0.213407382369041,0.458130538463593,6.48403644561768,2.0,9.1254653930664,6.0,295.33599281311,1.0,0.13349212706089,0.0,0.197120174765587,0.0862196311354637,54.4726943969727,-0.192789793014526,2.53229212760925,381.776824951172,1083.04675292969,1.08291602134705,25.0318050384521,-336.880310058594,1269.25231933594,5.79693746566772,3.86552453041077,42.2883987426758,-48.1077346801758,1798.45141601562,81.9136734008789,1833.33618164062,78.7167434692383,0.0,1.0,0.150324746966362,1.10134840011597,14.0799999237061,0.13264673948288,34.9729766845703,4.24489795918367,0.0170113425701857,2.02040816326531,0.0,1116.6455078125,0.0,3.67490005493164,11.9985628128052,0.0,0.333333343267441,30.348949432373,0.508661389350891,1.24000000953674,26.7799472808838,0.849675238132477,5.0,3.43440723419189,1.4066948890686,34.1399993896484,-0.749754428863525,3.35599994659424,0.0,-0.107067659497261,0.683855593204498,0.5,3.83057880401611,0.0714285714285714,449.320861816406,2.21158576011658,0.390542566776276,0.0,10.3402547836304,0.229722589254379,5.385,0.42459636926651,0.0272514652460814,0.0,11.2744207382202,-0.0752719342708588,0.0,0.0,30.9638004302979,3.83057880401611,-0.122439339756966,67.5440444946289,6.0276346206665,17.6682624816895,-0.0322349928319454,1.0,59.600944519043,8.44773578643799,0.0132972160354257,0.0,7.64355134963989,128.0,2.38675689697266,4.28521871566772,0.422274947166443,3.18857359886169,3.16300010681152,0.0,4.06783056259155,3.0,45.82,0.0,4.24489784240723,0.0370370373129845,171.540283203125,0.0,9.0,0.5,0.0,2.02040815353394,0.206568524241447,-314.232788085938,-151.36735534668,9.93317699432373,0.015625,0.143447697162628,396.481262207031,60.314,0.0,0.801852881908417,-21.6158084869385,4.92348861694336,0.0,0.0,55.7512855529785,0.488642752170563,4.0654501914978,0.0955731347203255,0.0,0.394132077693939,2.0,0.151979625225067,3.62600493431091,0.203607723116875,2.02002215385437,13.5048904418945,1.01001107692719
InChI%3D1S%2FC15H13N3O2S%2Fc1-20-15%2819%2918-14-16-12-8-7-11%289-13%2812%2917-14%2921-10-5-3-2-4-6-10%2Fh2-9H%2C1H3%2C%28H2%2C16%2C17%2C18%2C19%29,0.280914157629013,1.24576437473297,20.7053966522217,5.0,4.70796251296997,12.0,286.250995635986,0.802093088626862,0.816305100917816,0.0,0.379312813282013,0.822160959243774,29.7566547393799,-0.325779736042023,2.50967383384705,234.86946105957,1506.81665039062,1.44980549812317,28.3329582214355,-430.859527587891,1748.44152832031,6.70831060409546,17.3735618591309,41.305248260498,-35.0060539245605,2365.98657226562,37.171085357666,2143.92236328125,32.3316383361816,0.0,4.0,0.616605162620544,1.09770691394806,1024.06005859375,1.13113987445831,31.9720726013184,7.51300728407908,0.0498020127415657,4.2603550295858,0.811975300312042,1800.95959472656,1.12478840351105,2.09640002250671,11.8500003814697,0.197906941175461,0.461538463830948,231.402328491211,0.556057214736938,2.45000004768372,424.499206542969,0.383394837379456,0.0,18.689920425415,1.23438096046448,,-0.70332396030426,23.2341041564941,1.5,-0.0571429766714573,0.0833333358168602,0.857142865657806,6.01191520690918,0.173913043478261,491.365936279297,4.795569896698,0.121208682656288,1.0,59.9491958618164,0.412265479564667,3.906,2.48748064041138,-0.400818735361099,9.22886180877686,11.4692869186401,0.360644429922104,12.3759098052979,0.0,91.6961975097656,2.47339200973511,-0.303841650485992,377.735198974609,3.8482882976532,116.502433776855,0.231905117630959,4.0,692.941528320312,4.91855812072754,0.0397075675427914,1.0,30.5089435577393,442.0,1.13754570484161,4.54599714279175,0.423054158687592,1.55003809928894,2.98200011253357,0.096225045621395,1.71054637432098,5.0,95.8,5.0,7.51300716400146,0.374227613210678,143.882125854492,0.0360843911767006,8.0,0.0,1.0,4.26035499572754,0.487523853778839,142.86572265625,-263.946533203125,12.2235727310181,0.113935373723507,0.177508667111397,1123.80102539062,83.3915,121.238708496094,0.657960414886475,-21.4448699951172,7.26859760284424,0.5,0.0,65.5149993896484,0.831657648086548,5.57644748687744,0.153978303074837,1.0,0.020833333954215,0.0,0.470694035291672,3.97399973869324,0.153090953826904,2.89336085319519,4.39489316940308,2.03223919868469
InChI%3D1S%2FC10H7Cl5O%2Fc11-7-1-6%282-8%2812%293-7%299%285-16-9%294-10%2813%2C14%2915%2Fh1-3H%2C4-5H2,0.270444065332413,0.713439524173737,8.75521564483643,1.0,1.5,5.0,313.373991966248,0.947694838047028,0.465789467096329,0.0,0.245241835713387,1.17257976531982,55.3382377624512,-0.363728672266006,1.80137038230896,340.024505615234,1275.19543457031,1.27563619613647,27.4228706359863,-359.769470214844,1500.52685546875,8.9568862915039,5.78126525878906,61.4646072387695,-45.553337097168,1943.4736328125,35.6584358215332,1755.93395996094,59.6902694702148,0.0,3.0,0.317486882209778,0.0,336.059997558594,0.335923075675964,34.9729766845703,4.03292181069959,0.0196401719003916,2.65140478668054,0.0,1671.271484375,0.0,2.91799998283386,11.9985313415527,0.0523051619529724,0.428571432828903,78.7996368408203,0.518568754196167,1.89999997615814,83.3754653930664,0.682513117790222,5.0,4.87465333938599,2.89213728904724,,-0.722146093845367,11.6684494018555,0.0,-0.0914367958903313,0.216506347060204,0.75,4.23251533508301,0.176470588235294,472.136688232422,3.02530527114868,0.20574826002121,0.0,19.3054447174072,0.352139979600906,4.9792,0.905484139919281,-0.152213901281357,3.5395290851593,11.6128044128418,0.0288239698857069,7.58543252944946,0.0,71.6529998779297,2.71907210350037,-0.0950807183980942,158.170318603516,5.12033081054688,40.2721405029297,0.0345759019255638,3.0,167.35514831543,7.11767816543579,0.133929297327995,1.0,9.7846326828003,187.0,1.85770428180695,6.57702541351318,0.424655705690384,3.40512537956238,3.40700006484985,0.0,4.19068765640259,5.0,12.53,1.0,4.03292179107666,0.451057553291321,169.398452758789,0.0,6.0,0.0,0.0,3.02972650527954,0.719786286354065,-181.854187011719,-179.235290527344,11.7239799499512,0.239314198493958,0.343726724386215,527.124633789062,68.999,26.0581607818604,2.92533493041992,-22.6944370269775,6.37024402618408,0.0,0.56646341085434,55.3379707336426,0.756635546684265,7.12198448181152,0.358774691820145,0.0,0.0897791907191277,0.0,0.332411736249924,3.06044721603394,0.255542010068893,2.68509030342102,8.514723777771,1.65385806560516
InChI%3D1S%2FC13H22NO3PS%2Fc1-6-16-18%2815%2C14-10%282%293%2917-12-7-8-13%2819-5%2911%284%299-12%2Fh7-10H%2C6H2%2C1-5H3%2C%28H%2C14%2C15%29,0.393017053604126,0.812628924846649,16.7188243865967,5.0,1.89484846591949,5.0,281.187996864319,0.931589722633362,0.385160058736801,0.0,0.265283048152924,1.82819271087646,33.4615631103516,-0.293629437685013,3.4040629863739,153.299697875977,1049.50805664062,1.31367003917694,32.4831008911133,-223.751327514648,1150.36511230469,1.36883163452148,11.4865694046021,39.388542175293,-16.9054985046387,1488.306640625,42.2247505187988,1451.59204101562,36.9753074645996,0.5,7.0,0.753946244716644,0.82070130109787,1339.06005859375,1.10043585300446,31.9726791381836,7.69526627218935,0.0308960415422916,5.47919143876338,4.24505424499512,1271.87658691406,4.96909332275391,1.41159999370575,11.9984483718872,0.0684103071689606,0.5,292.65966796875,0.50754988193512,2.23000001907349,427.156707763672,0.246053770184517,0.0,11.9929313659668,1.9415180683136,82.6699981689453,-0.35913223028183,39.260555267334,0.0,-0.0271341800689697,0.117851130664349,1.0,4.93580198287964,0.368421052631579,580.411376953125,2.7502920627594,0.203606590628624,0.0,66.3239517211914,0.444013297557831,4.2383,1.06612694263458,-0.440693289041519,1.93097877502441,10.6981039047241,0.405420958995819,6.11400985717773,1.0,84.7276992797852,2.866854429245,-0.176020309329033,469.733612060547,5.26436519622803,154.526947021484,-0.0648840069770813,7.0,685.608154296875,5.40619039535522,0.109349355101585,2.0,19.2492618560791,289.0,1.48969662189484,4.04144954681396,0.333841025829315,2.05764985084534,2.33400011062622,0.0,1.73209011554718,10.0,82.67,3.0,7.69526624679565,0.0680413842201233,95.5108108520508,0.0,11.0,0.0,1.0,5.47919130325317,0.164266422390938,316.433929443359,-139.404525756836,13.1371536254883,0.0240562614053488,0.201108053326607,909.359497070312,81.0922,42.621898651123,0.891286194324493,-10.5326881408691,7.87600564956665,1.0,0.0228331927210093,36.1547622680664,0.899921596050262,5.69394445419312,0.0633399710059166,0.0,0.102062076330185,1.0,0.472279101610184,3.67634153366089,0.269239515066147,2.59409713745117,1.99261450767517,1.21840238571167
InChI%3D1S%2FC26H22ClF3N2O3%2Fc1-16%282%2924%2832-22-12-11-18%2814-21%2822%2927%2926%2828%2C29%2930%2925%2833%2935-23%2815-31%2917-7-6-10-20%2813-17%2934-19-8-4-3-5-9-19%2Fh3-14%2C16%2C23-24%2C32H%2C1-2H3,0.416802883148193,1.20035684108734,27.4238739013672,5.0,10.8246412277222,16.0,480.743987083435,0.876204490661621,0.622400879859924,0.0,0.339671194553375,1.74645280838013,50.2622680664062,-0.31006520986557,4.11599731445312,397.199523925781,2124.35913085938,1.23015093803406,42.8561096191406,-1070.30920410156,2447.35620117188,1.15935397148132,21.5614242553711,66.4170913696289,-57.7568664550781,3305.8134765625,69.3166122436523,3428.24951171875,66.4940414428711,0.200000002980232,10.0,0.505670309066772,0.0,2291.09008789062,1.36259865760803,34.9688529968262,13.6930473372781,0.0296071786433458,8.77198286722096,3.13917946815491,3203.98608398438,4.68361234664917,3.5731999874115,11.8500003814697,0.123795501887798,0.5,326.476165771484,0.464107036590576,3.32999992370605,879.735229492188,0.494329690933228,4.0,19.1152973175049,3.35943198204041,71.3499984741211,-1.33203983306885,34.1895523071289,0.0,-0.0718805864453316,0.866504967212677,1.0,9.32054233551025,0.27027027027027,704.040283203125,7.36962747573853,0.150088101625443,0.0,133.591171264648,0.858286559581757,7.39568000000001,3.23324394226074,-0.442383587360382,14.5121641159058,10.64892578125,-0.0672165527939796,24.5746726989746,0.0,137.883895874023,5.99612665176392,0.291839957237244,406.311828613281,8.18830871582031,316.007080078125,-0.322464466094971,10.0,1094.86352539062,10.7099618911743,0.0636836588382721,2.0,23.7897052764893,1011.0,1.99712836742401,3.64231467247009,0.414923638105392,2.18428802490234,4.08099985122681,0.0,2.40214872360229,11.0,71.35,4.0,13.6930475234985,0.253436774015427,319.154327392578,0.0,13.0,0.0,0.0,8.77198314666748,0.329381465911865,9.11229610443115,-860.005554199219,19.5999984741211,0.0839090570807457,0.114997953176498,2165.17260742188,126.1067,99.471092224121,1.20931839942932,-46.4082984924316,11.022518157959,0.534522473812103,0.0134987309575081,81.5465698242188,0.861746847629547,8.39924049377441,0.0918058082461357,0.0,0.199823915958405,1.0,0.351120263338089,5.33173513412476,0.154644533991814,3.43300366401672,12.7677583694458,2.23324537277222
InChI%3D1S%2FC22H26O3%2Fc1-15%282%2910-19-20%2822%2819%2C3%294%2921%2823%2925-14-17-12-18%2824-13-17%2911-16-8-6-5-7-9-16%2Fh5-10%2C12-13%2C19-20H%2C11%2C14H2%2C1-4H3,0.265828967094421,1.29267776012421,20.1513710021973,2.0,5.31624794006348,6.0,312.238991737366,0.92532330751419,0.730247676372528,,0.315519422292709,1.34794652462006,27.3234062194824,-0.376771479845047,3.60876870155334,218.379409790039,1549.29528808594,1.48608195781708,28.6604595184326,-373.836791992188,1802.11047363281,4.53708791732788,15.1946563720703,38.7670211791992,-25.9425220489502,2282.83447265625,33.988826751709,1956.80554199219,35.0953903198242,0.25,7.0,0.700430333614349,0.351494193077087,2649.03002929688,1.19904446601868,15.9969310760498,8.34714003944773,0.0283547006547451,4.6464,4.50471115112305,1857.62939453125,6.24484920501709,3.1421000957489,11.8900003433228,0.0746766850352287,0.466666668653488,372.213897705078,0.495007216930389,3.54999995231628,637.181213378906,0.299569666385651,0.0,15.0678987503052,2.38108277320862,39.439998626709,-0.512823879718781,37.5862083435059,0.0,-0.0355875752866268,0.282117545604706,0.875,6.8114652633667,0.259259259259259,674.539428710938,5.10267877578735,0.179083034396172,0.0,80.1800155639648,0.443552732467651,5.152,1.96376800537109,-0.235689505934715,11.5209045410156,9.87163734436035,0.0590870305895805,15.2958040237427,,103.717498779297,3.77821469306946,-0.121481396257877,510.597595214844,5.55375480651855,174.244689941406,0.134320378303528,7.0,874.075866699219,6.86221694946289,0.0668910592794418,,20.6699237823486,622.0,2.52641367912292,4.99054670333862,0.50957715511322,2.84829187393188,4.75299978256226,0.614044845104218,3.06349778175354,4.0,39.44,3.0,8.34714031219482,1.20906007289886,159.193557739258,0.475270658731461,6.0,0.0,,5.04166650772095,1.42517483234406,292.218200683594,-272.518432617188,15.8266744613647,0.640454173088074,0.220047265291214,1247.91259765625,97.944,54.4375839233398,1.86685609817505,-18.9115028381348,9.34814643859863,0.577350258827209,0.16666667163372,46.6124458312988,0.85044813156128,8.44567012786865,0.656903982162476,0.0,0.193447262048721,,0.48149761557579,5.44218969345093,0.155232846736908,3.73289752006531,9.87279224395752,2.50396299362183
InChI%3D1S%2FC15H13N3O3S%2Fc1-21-15%2819%2918-14-16-12-8-7-11%289-13%2812%2917-14%2922%2820%2910-5-3-2-4-6-10%2Fh2-9H%2C1H3%2C%28H2%2C16%2C17%2C18%2C19%29,0.280920445919037,1.09915542602539,20.4048957824707,5.0,4.70796251296997,12.0,302.249995231628,0.808570146560669,0.714479506015778,0.0,0.381340622901917,1.13789081573486,31.5311241149902,-0.325787425041199,2.09041857719421,233.157180786133,1641.39990234375,1.37945401668549,31.8893566131592,-462.298187255859,1923.25390625,4.58824920654297,17.176586151123,43.9694328308105,-37.7795181274414,2661.39819335938,42.4994506835938,2538.46484375,37.6600074768066,0.0,4.0,0.648212671279907,1.22050034999847,1059.06994628906,1.28525972366333,31.9720726013184,7.71349862258953,0.0477666147053242,4.11032990805841,0.811975300312042,2149.54321289062,1.12478840351105,0.984600007534027,11.8500003814697,0.191429823637009,0.461538463830948,284.744110107422,0.523971915245056,2.33999991416931,564.583435058594,0.351787328720093,0.0,20.9827156066895,1.35191607475281,,-0.69751501083374,25.3321056365967,1.5,-0.0570016987621784,0.27578341960907,0.857142865657806,6.36507511138916,0.166666666666667,535.903198242188,5.01712369918823,0.102446913719177,1.0,57.8300018310547,0.479863971471786,3.7872,2.63830661773682,-0.40420737862587,9.22886180877686,12.0092868804932,0.343611121177673,12.3759098052979,0.0,93.0679016113281,3.20671892166138,-0.302956193685532,429.621643066406,4.80364608764648,119.092292785645,0.202382758259773,4.0,851.842895507812,6.30893564224243,0.0557655803859234,1.0,31.6587009429932,461.0,1.26727521419525,4.54810667037964,0.455917775630951,1.64169728755951,0.953000009059906,0.096225045621395,1.8169618844986,5.0,106.78,6.0,7.71349859237671,0.374227613210678,154.531646728516,0.0360843911767006,16.0,0.111111111938953,0.0,4.11033010482788,0.465451836585999,196.464447021484,-306.401428222656,12.2741861343384,0.113935373723507,0.164231076836586,1314.14111328125,84.078,126.875633239746,0.62724781036377,-25.0394630432129,7.26495885848999,0.471404522657394,0.0,69.4382171630859,0.930250704288483,5.42807340621948,0.133903786540031,1.0,0.0798326954245567,1.0,0.399564385414124,3.94584107398987,0.141639798879623,2.73677349090576,0.969437181949615,1.86054420471191
InChI%3D1S%2FC10H10ClNO2%2Fc1-7%2813%2912-9-4-2-8%283-5-9%2910%2814%296-11%2Fh2-5H%2C6H2%2C1H3%2C%28H%2C12%2C13%29,0.183287546038628,0.308752596378326,12.2278537750244,3.0,2.00414514541626,6.0,201.567995071411,0.787465214729309,0.190750971436501,0.0,0.385752379894257,0.450709015130997,23.6216793060303,-0.348469316959381,1.41196203231812,194.98356628418,737.130737304688,1.26294684410095,16.9482917785645,-234.793060302734,803.393310546875,9.02290630340576,10.3651828765869,22.0000343322754,-39.2182579040527,1004.70336914062,23.2123699188232,920.323181152344,19.3980274200439,0.0,3.0,0.577760875225067,2.24481654167175,394.040008544922,0.695721387863159,34.9693794250488,5.77777777777778,0.0407958924770355,3.96,0.995267927646637,690.297912597656,1.19389832019806,0.967999994754791,11.9985313415527,0.212534800171852,0.444444447755814,123.204681396484,0.542725086212158,2.11999988555908,148.359176635742,0.422239124774933,1.0,8.69952487945557,1.01474142074585,49.6599998474121,-0.508446991443634,13.630069732666,0.0,-0.0849275812506676,0.117851130664349,0.800000011920929,2.99296975135803,0.214285714285714,363.639373779297,2.11055469512939,0.115470960736275,1.0,19.9433097839355,0.319087892770767,2.716,0.908465802669525,-0.115065261721611,4.25141477584839,9.03207206726074,-0.0744911357760429,9.17985534667969,0.0,58.4878005981445,1.73148417472839,0.0461551249027252,266.801116943359,2.31310272216797,38.7673988342285,0.00142530095763505,3.0,321.273498535156,2.45899152755737,0.0368592068552971,0.0,18.8389186859131,186.0,0.527670443058014,4.72566652297974,0.441689103841782,0.615215361118317,0.728999972343445,0.0,0.546553790569305,4.0,49.66,3.0,5.77777767181396,0.0833333358168602,90.0404281616211,0.0,11.0,0.125,0.0,3.96000003814697,0.107038088142872,71.8175582885742,-108.423843383789,8.45307636260986,0.0277777779847383,0.289340764284134,556.066528320312,56.8903,98.1453170776367,0.330037713050842,-18.1103916168213,4.60164880752563,0.0,0.0,58.0571784973145,0.901683270931244,3.02995920181274,0.0263114888221025,1.0,0.0240562614053488,1.0,0.278532713651657,1.84429216384888,0.182179838418961,1.14014768600464,0.937023997306824,0.666793763637543
InChI%3D1S%2FC9H10Cl2N2O%2Fc1-13%282%299%2814%2912-6-3-4-7%2810%298%2811%295-6%2Fh3-5H%2C1-2H3%2C%28H%2C12%2C14%29,0.217925652861595,0.335849225521088,8.41618251800537,3.0,2.40685200691223,6.0,223.017994880676,0.836755633354187,0.168016538023949,,0.225231111049652,1.17787873744965,30.9199523925781,-0.33541065454483,1.90546131134033,242.417892456055,851.107299804688,1.46317374706268,19.0664920806885,-275.79541015625,937.197570800781,10.342456817627,5.33284187316895,28.6062393188477,-34.0729293823242,1199.36389160156,35.3469047546387,1064.66394042969,19.508487701416,0.0,2.0,0.489593505859375,4.28322172164917,394.049987792969,0.557003617286682,34.970157623291,5.18559556786704,0.0357423238456249,3.59183673469388,1.12924325466156,714.386352539062,1.8685519695282,1.82410001754761,11.9985370635986,0.163244336843491,0.5,110.441566467285,0.529220938682556,1.89999997615814,125.647811889648,0.510406494140625,2.0,8.06268501281738,1.24456429481506,35.8300018310547,-0.580682277679443,15.0720701217651,0.0,-0.0717399418354034,0.402368932962418,1.0,2.67107915878296,0.142857142857143,397.417633056641,2.12895488739014,0.226404473185539,1.0,18.6873683929443,0.263285994529724,3.1005,0.735593199729919,-0.211180791258812,1.65096366405487,9.75429916381836,0.164931923151016,6.4474196434021,,62.086799621582,2.66405010223389,-0.107838593423367,232.532730102539,2.31010174751282,39.0725936889648,0.0185884088277817,2.0,264.549224853516,3.23732423782349,0.139954045414925,,16.9758396148682,170.0,1.16583096981049,5.32272577285767,0.486763954162598,0.832568526268005,2.31599998474121,0.0,0.961604595184326,6.0,35.83,3.0,5.18559551239014,0.0680413842201233,115.136528015137,0.0,10.0,0.0,,3.59183669090271,0.184195280075073,-9.88515186309814,-130.989196777344,9.34147834777832,0.0240562614053488,0.294774770736694,540.344604492188,59.8728,77.5330047607422,0.670190572738647,-16.1829605102539,4.66078186035156,0.0,0.0,51.048770904541,0.942065834999084,3.71904253959656,0.0653127580881119,,0.151864215731621,,0.447188794612885,2.27131295204163,0.19381158053875,1.06239056587219,3.32734084129333,0.713097870349884
InChI%3D1S%2FC14H15N3%2Fc1-10-9-13%2811-7-8-11%2917-14%2815-10%2916-12-5-3-2-4-6-12%2Fh2-6%2C9%2C11H%2C7-8H2%2C1H3%2C%28H%2C15%2C16%2C17%29,0.20568610727787,0.595653831958771,13.6450424194336,3.0,3.92513632774353,9.0,210.174995422363,0.91999089717865,0.28460219502449,0.0,0.235878139734268,0.303510785102844,18.079963684082,-0.226934418082237,4.50176095962524,162.170806884766,1016.17602539062,1.26274228096008,19.9971122741699,-173.698425292969,1175.66589355469,1.9373300075531,8.83977031707764,25.077075958252,-13.2492046356201,1441.07727050781,23.6618518829346,1378.85009765625,20.6618518829346,0.0,3.0,0.690413415431976,1.51529228687286,884.030029296875,0.739490151405334,14.0050954818726,5.32544378698225,0.0339282415807247,2.87970615243343,1.48600459098816,1154.00244140625,1.76976454257965,0.375900000333786,11.8999996185303,0.0800090730190277,0.444444447755814,189.448120117188,0.51655375957489,2.67000007629395,202.914672851562,0.309586614370346,0.0,9.30984497070312,1.03025674819946,,-0.331592977046967,19.6981048583984,1.5,-0.0252929367125034,0.0833333358168602,0.800000011920929,4.745689868927,0.157894736842105,481.919036865234,3.59728169441223,0.329919159412384,0.0,43.8438339233398,0.181324198842049,3.406,1.42558884620667,-0.151614397764206,7.41127014160156,9.13933944702148,0.118533045053482,11.4511032104492,0.0,72.0883026123047,1.75726759433746,-0.0335477255284786,361.659393310547,2.83969283103943,69.5669479370117,-0.0346460863947868,3.0,387.367279052734,3.72367429733276,0.0222433023154736,0.0,17.7726383209229,271.0,0.669819056987762,6.18343353271484,0.541931927204132,0.824690282344818,1.06400001049042,0.0,0.910865664482117,0.0,37.81,3.0,5.32544374465942,0.306186228990555,84.9499664306641,0.0,13.0,0.0,0.0,3.26326751708984,0.536210417747498,199.488586425781,-90.9884796142578,9.85009288787842,0.120450302958488,0.211505696177483,561.065673828125,68.4687,41.9111709594727,0.481305956840515,-6.94033336639404,5.98763275146484,0.0,0.0,31.021842956543,0.689618349075317,4.52309703826904,0.174161031842232,0.0,0.0372678004205227,0.0,0.204256623983383,2.61090803146362,0.191964387893677,1.80428862571716,0.141300812363625,1.12569379806519
InChI%3D1S%2FC14H20ClNO2%2Fc1-4-12-8-6-7-11%283%2914%2812%2916%2810-18-5-2%2913%2817%299-15%2Fh6-8H%2C4-5%2C9-10H2%2C1-3H3,0.229808181524277,0.709822356700897,11.3999643325806,3.0,3.30192732810974,4.0,249.611993789673,0.930013239383698,0.34363466501236,0.0,0.186760440468788,1.73875212669373,27.6216793060303,-0.364863455295563,3.02247405052185,173.417755126953,1147.6552734375,1.23648238182068,21.446569442749,-243.083343505859,1290.78405761719,2.61636853218079,6.63873767852783,27.2214088439941,-24.803165435791,1707.10131835938,34.5335540771484,1881.43640136719,34.8369598388672,0.0,7.0,0.665220856666565,0.0,1138.0400390625,0.93245416879654,34.9688529968262,8.22684310018904,0.0288572274148464,4.26666666666667,5.12924671173096,1727.98400878906,3.5051908493042,1.62609994411469,11.8900003433228,0.0699867606163025,0.5,178.49919128418,0.455779671669006,2.55999994277954,250.206100463867,0.334779113531113,1.0,7.74328088760376,0.885265052318573,29.5400009155273,-0.469266980886459,27.1381397247314,0.0,-0.0478819571435452,0.275708943605423,1.0,4.39829254150391,0.388888888888889,481.752899169922,3.44876575469971,0.265130162239075,0.0,36.8638648986816,0.426489025354385,3.1232,1.09568989276886,-0.25822725892067,5.81049728393555,11.15553855896,0.0738404244184494,10.6467142105103,0.0,77.1585006713867,2.42945027351379,-0.0806569904088974,344.588745117188,4.09444189071655,83.1526107788086,0.0490607656538486,7.0,483.017333984375,6.00496006011963,0.152522593736649,1.0,14.9482316970825,220.0,1.05579257011414,4.96026372909546,0.429536134004593,1.60421061515808,2.18099999427795,0.0,1.97361660003662,9.0,29.54,3.0,8.22684288024902,0.0680413842201233,89.8315200805664,0.0,9.0,0.0,0.0,4.26666688919067,0.155437618494034,171.170974731445,-125.918746948242,11.9580812454224,0.0240562614053488,0.260256469249725,726.100646972656,75.256,36.2535934448242,0.445908010005951,-12.8481998443604,6.71203660964966,0.25,0.0,39.7513961791992,0.795882046222687,4.28075504302979,0.0518248938024044,0.0,0.0976826399564743,1.0,0.351166546344757,3.04065036773682,0.163890078663826,2.05148530006409,2.64420127868652,1.33353197574615
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%29,0.161145329475403,0.280694365501404,14.4819755554199,4.0,2.40685200691223,6.0,180.121995925903,0.804227888584137,0.139237225055695,0.0,0.386638075113297,0.497738659381866,16.268913269043,-0.371994137763977,1.6912008523941,104.02555847168,703.625732421875,1.12127375602722,15.4948320388794,-139.421569824219,769.311462402344,6.59210014343262,12.2930355072021,20.712760925293,-21.9537525177002,978.442321777344,19.2144832611084,908.439636230469,16.8548202514648,0.0,3.0,0.769669413566589,3.47920727729797,602.039978027344,1.03155922889709,15.9982624053955,5.77777777777778,0.0474544912576675,3.96,2.00593781471252,700.105895996094,2.05947661399841,-0.560000002384186,11.9962491989136,0.195772081613541,0.444444447755814,156.993316650391,0.526559293270111,2.11999988555908,210.41227722168,0.230330571532249,0.0,9.67952919006348,1.01474142074585,67.8399963378906,-0.308703482151031,17.8808975219727,0.0,-0.0486094057559967,0.117851130664349,0.800000011920929,3.25076985359192,0.214285714285714,363.218200683594,2.28936100006104,0.116779707372189,1.0,27.75048828125,0.29498416185379,2.2754,0.818795144557953,-0.144952550530434,2.33481526374817,8.71209526062012,-0.0213297419250011,7.18844223022461,0.0,58.6713981628418,1.60537827014923,0.0125794867053628,347.6103515625,2.43320798873901,52.5804443359375,-0.0158577356487513,3.0,465.88916015625,2.93088245391846,0.0343695282936096,1.0,21.4321517944336,182.0,0.435097366571426,4.73648548126221,0.333554714918137,0.557734251022339,0.867999970912933,0.0,0.544049918651581,4.0,67.84,3.0,5.77777767181396,0.0680413842201233,46.9816780090332,0.0,11.0,0.0,0.0,3.96000003814697,0.164266422390938,243.58479309082,-62.9677886962891,8.31918334960938,0.0240562614053488,0.259790599346161,605.310729980469,57.4212,88.4177017211914,0.316794484853745,-9.9151029586792,4.39743566513062,0.142857149243355,0.0,43.3859062194824,0.781320512294769,2.81415867805481,0.0344681032001972,1.0,0.0196418557316065,0.0,0.261159688234329,1.58411419391632,0.163485750555992,1.07918167114258,0.31360000371933,0.628866016864777
InChI%3D1S%2FC3H4Cl2O2%2Fc1-3%284%2C5%292%286%297%2Fh1H3%2C%28H%2C6%2C7%29,0.376577198505402,0.0,4.0050048828125,1.0,0.0,0.0,138.936996459961,0.671238481998444,0.0,0.0,0.236382827162743,0.512349605560303,23.9744453430176,-0.330672234296799,0.895367920398712,183.04362487793,305.804504394531,1.25685846805573,10.5676584243774,-157.681045532227,312.799285888672,8.76097297668457,2.59728765487671,25.9583568572998,-33.1475296020508,369.142578125,18.392126083374,178.629241943359,0.0,0.0,1.0,0.343323260545731,1.01007032394409,58.0400009155273,0.295752316713333,34.9698524475098,1.85185185185185,0.0297390017658472,2.66666666666667,0.0,0.0,0.5,0.898899972438812,11.9888439178467,0.328761547803879,0.333333343267441,26.6752910614014,0.495935261249542,1.35000002384186,22.9791564941406,0.656676709651947,2.0,2.31064033508301,1.65470051765442,37.2999992370605,-0.565687417984009,6.17082786560059,0.0,-0.118918165564537,0.866025388240814,0.5,0.0,0.166666666666667,187.102584838867,0.0,0.223562240600586,0.0,4.11498880386353,0.310190379619598,-0.0699000000000001,0.0,-0.100523799657822,0.0,9.43525218963623,-0.135374665260315,0.0,0.0,27.6229991912842,2.5980761051178,0.0808032751083374,95.6987380981445,0.577350258827209,9.3114767074585,0.0,1.0,82.4386978149414,0.0,0.127927333116531,0.0,8.28951930999756,29.0,0.909124553203583,4.3681492805481,0.456817477941513,0.274969905614853,0.772000014781952,0.0,0.0,7.0,40.13,2.0,1.85185182094574,0.0,51.0220108032227,0.0,3.0,0.5,0.0,2.66666674613953,0.0,-87.3448791503906,-43.9523887634277,5.12324857711792,0.0,0.381202846765518,240.119750976562,25.8045,91.6397705078125,1.57687592506409,-9.23962020874023,2.31162428855896,0.0,0.321428567171097,41.4370498657227,0.649647891521454,2.89884972572327,0.0,1.0,0.162194401025772,1.0,0.304105669260025,0.698866784572601,0.356867551803589,0.0,0.808021187782288,0.0
InChI%3D1S%2FC12H14Cl3O4P%2Fc1-3-17-20%2816%2C18-4-2%2919-12%288-13%2910-6-5-9%2814%297-11%2810%2915%2Fh5-8H%2C3-4H2%2C1-2H3,0.458938151597977,0.725354433059692,14.1521320343018,4.0,3.14734530448914,6.0,345.46099281311,0.856712400913239,0.328407287597656,0.0,0.254732578992844,1.21150529384613,51.8865509033203,-0.28439337015152,3.41657066345215,341.97705078125,1112.42858886719,1.08607816696167,36.5924949645996,-549.107849121094,1244.20227050781,1.02537298202515,9.52405643463135,47.470386505127,-45.8609352111816,1640.80187988281,53.6107788085938,1699.55114746094,64.8224487304688,1.5,7.0,0.506827354431152,7.78800392150879,776.080017089844,0.81380569934845,34.9710578918457,8.44444444444444,0.0396308898925781,5.37890625,2.46101760864258,1523.41186523438,1.21331775188446,2.86739993095398,11.9985237121582,0.143287569284439,0.5,243.700271606445,0.445379167795181,1.89999997615814,391.306182861328,0.493172645568848,3.0,19.0559139251709,1.75390350818634,54.5699996948242,-0.791880488395691,30.7508983612061,0.0,-0.0661370605230331,0.164266422390938,1.0,5.15679597854614,0.35,594.063720703125,3.31582164764404,0.24141737818718,0.0,48.2172508239746,0.617927670478821,5.7283,1.08687102794647,-0.570042788982391,3.54556488990784,10.6680402755737,0.51184868812561,8.86721420288086,1.0,84.4343032836914,3.14252614974976,-0.223836541175842,351.445526123047,5.32646226882935,101.791290283203,-0.117841273546219,7.0,564.311279296875,6.23861980438232,0.0856058523058891,3.0,27.4809532165527,300.0,1.1301417350769,3.79929685592651,0.400537580251694,1.66108536720276,3.48799991607666,0.0,1.78663325309753,12.0,54.57,4.0,8.44444465637207,0.0680413842201233,237.134613037109,0.0,13.0,0.0,0.0,5.37890625,0.175366476178169,9.4684820175171,-380.763793945312,13.4294443130493,0.0240562614053488,0.176493629813194,1113.41906738281,82.2355,99.3588409423828,0.666405558586121,-31.8010082244873,7.35693740844727,1.5,0.0186432246118784,73.3418884277344,0.816726863384247,4.93237924575806,0.0665826052427292,0.0,0.0642559081315994,1.0,0.240161404013634,3.21914744377136,0.285794585943222,2.32110929489136,8.22198295593262,1.30274033546448
InChI%3D1S%2FC12H13N5O6S2%2Fc1-6-13-10%2816-12%2814-6%2923-3%2915-11%2819%2917-25%2820%2C21%297-4-5-24-8%287%299%2818%2922-2%2Fh4-5H%2C1-3H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%2C19%29,0.278339505195618,1.55746257305145,21.3406276702881,10.0,5.50270652770996,0.0,374.294996261597,0.728216290473938,0.721895456314087,0.0,0.295665800571442,1.96953284740448,43.7022590637207,-0.381221443414688,3.84462690353394,229.053573608398,1864.58984375,1.46127021312714,41.7238388061523,-668.481994628906,2163.24560546875,1.1106721162796,15.5264673233032,55.8752975463867,-52.7040061950684,3032.296875,62.2293128967285,2828.87841796875,65.7801742553711,0.090909093618393,6.0,0.692784309387207,0.73616236448288,1609.13000488281,2.02185821533203,31.9730739593506,9.27392257121987,0.0491649657487869,5.7362962962963,0.757219970226288,2781.0859375,4.031494140625,-0.912899971008301,11.9962186813354,0.271783739328384,0.461538463830948,385.110504150391,0.687061369419098,1.35000002384186,1123.9267578125,0.307215690612793,0.0,27.3302154541016,2.52571153640747,,-0.8965944647789,41.123348236084,3.63872194290161,-0.0706886947154999,0.428855359554291,0.857142865657806,7.06861877441406,0.230769230769231,542.942749023438,4.60740518569946,0.180155292153358,2.0,97.8454742431641,0.996331989765167,1.2542,1.57993817329407,-0.759518623352051,1.0,13.0068836212158,0.681259274482727,3.46139478683472,0.0,84.5046997070312,4.35770654678345,-0.659790098667145,516.525390625,7.58908128738403,236.754364013672,0.261423617601395,6.0,1507.45495605469,9.63293838500977,0.0922902971506119,2.0,36.656364440918,518.0,2.41969585418701,4.8535943031311,0.487333953380585,3.93861365318298,0.615000009536743,0.117851130664349,4.16813993453979,7.0,192.81,11.0,9.27392292022705,0.19500832259655,170.777526855469,0.20412415266037,10.0,1.42381393909454,1.0,5.7362961769104,0.473958820104599,287.471832275391,-498.406127929688,15.1983518600464,0.299893498420715,0.120742648839951,2175.93701171875,86.187,202.636245727539,1.09137368202209,-39.2950019836426,9.28671550750732,1.35477125644684,0.0373144708573818,89.3603744506836,0.76724374294281,7.57227277755737,0.434162110090256,1.0,0.267869472503662,3.0,0.286874949932098,5.91994714736938,0.0951560586690903,4.81633806228638,0.833386421203613,2.80532360076904
InChI%3D1S%2FC14H18N2O5%2Fc1-21-14%2820%2911%287-9-5-3-2-4-6-9%2916-13%2819%2910%2815%298-12%2817%2918%2Fh2-6%2C10-11H%2C7-8%2C15H2%2C1H3%2C%28H%2C16%2C19%29%28H%2C17%2C18%29,0.286765187978745,0.507524609565735,11.1891098022461,5.0,5.09290552139282,5.0,276.162993431091,0.630303919315338,0.283667802810669,0.0,0.128839433193207,1.86904561519623,25.592321395874,-0.351432591676712,3.66822957992554,191.136245727539,1079.50805664062,1.43626117706299,23.4911079406738,-467.107879638672,1191.82666015625,1.88868224620819,5.6518349647522,31.5937900543213,-47.0035667419434,1499.11328125,31.8435859680176,1488.15100097656,30.926685333252,0.0,8.0,0.62228399515152,0.353873878717422,1101.06994628906,1.52076745033264,16.0000019073486,9.9039780521262,0.0501969642937183,7.2,1.11061310768127,1375.42578125,1.36540818214417,-0.069300003349781,11.9961957931519,0.369696080684662,0.454545468091965,159.347045898438,0.44700500369072,2.23000001907349,389.419952392578,0.377715975046158,0.0,12.8538379669189,1.48614585399628,122.209999084473,-0.923080384731293,24.1697254180908,0.0,-0.0928866118192673,0.284517794847488,0.833333313465118,4.43089580535889,0.380952380952381,318.953735351562,3.27975034713745,0.327839255332947,1.0,38.15185546875,0.692877769470215,-1.5223,1.16413712501526,-0.33358496427536,7.43776512145996,9.83202648162842,-0.0141092110425234,10.9513111114502,0.0,77.7021026611328,2.76513528823853,0.10906533151865,314.895416259766,3.41562271118164,88.090446472168,-0.299483686685562,8.0,769.556457519531,4.54822540283203,0.16704149544239,1.0,25.401252746582,352.0,0.78269076347351,3.91615748405457,0.483056664466858,0.855425953865051,-0.0930000022053719,0.0,0.858027040958405,15.0,126.66,7.0,9.90397834777832,0.102062076330185,96.7209854125977,0.0,6.0,1.19526600837708,0.0,7.19999980926514,0.0721687823534012,123.759170532227,-236.371383666992,11.599401473999,0.0320750139653683,0.142010137438774,1236.66442871094,75.1344,187.077926635742,0.497386634349823,-23.7852916717529,6.29461050033569,0.79527074098587,0.0,72.4048156738281,0.675000905990601,4.42033433914185,0.0226804614067078,2.0,0.0387847423553467,2.0,0.506199538707733,2.75942301750183,0.117212854325771,1.68989014625549,0.004802490118891,1.01620769500732
InChI%3D1S%2FC10H22O3%2Fc1-4-5-6-12-8-10%283%2913-7-9%282%2911%2Fh9-11H%2C4-8H2%2C1-3H3,0.100090160965919,0.225805878639221,11.5549812316895,3.0,0.333333343267441,0.0,168.106995582581,0.93132895231247,0.142307013273239,0.0,0.246615380048752,1.02583456039429,15.3234071731567,-0.415140688419342,2.87797164916992,69.0703887939453,510.162658691406,1.39716589450836,13.6604595184326,-94.1640319824219,501.488952636719,4.48561525344849,7.65117502212524,15.3246440887451,-13.8272171020508,517.834533691406,13.5452136993408,447.406524658203,11.3283681869507,0.333333343267441,8.0,0.852611243724823,0.0,1000.03002929688,1.1623694896698,15.9987049102783,8.59171597633136,0.0307617392390966,9.91735537190083,3.80270791053772,406.681976318359,1.94416129589081,-1.25660002231598,11.9962491989136,0.0686710402369499,0.5,187.2431640625,0.524550557136536,2.23000001907349,255.269622802734,0.147388771176338,0.0,6.75562953948975,0.696923434734344,38.689998626709,-0.200935915112495,27.8825531005859,0.0,-0.029505793005228,0.0,1.0,1.68176472187042,0.666666666666667,436.446044921875,1.27966940402985,0.249067604541779,0.0,32.8210258483887,0.433716803789139,1.589,0.384779691696167,-0.189228624105453,3.56403374671936,7.58133840560913,-0.18301248550415,3.01468515396118,0.0,50.2545013427734,0.696923434734344,0.262769639492035,399.556793212891,0.573192954063416,66.9647445678711,-0.0901397466659546,8.0,544.717956542969,0.807677507400513,0.0887785628437996,2.0,14.4157867431641,182.0,0.260428100824356,4.43086671829224,0.444803893566132,0.207299575209618,1.39100003242493,0.0,0.267751753330231,13.0,38.69,3.0,8.59171581268311,0.0,32.3682594299316,0.0,0.0,0.0,0.0,9.91735553741455,0.0,330.486389160156,-44.1278228759766,8.95394420623779,0.0,0.286376029253006,638.881958007812,52.8218,32.1811180114746,0.349240839481354,-6.47980928421021,5.03823041915894,0.471404522657394,0.0,28.2430038452148,0.658377349376678,3.4214403629303,0.0,1.0,0.0,0.0,0.427811503410339,1.61673283576965,0.154194787144661,0.847333788871765,1.57904350757599,0.577868759632111
InChI%3D1S%2FC36H53NO13%2Fc1-21-13-11-9-7-6-8-10-12-14-24%2848-35%285%2931%2842%2929%2837%2930%2841%2922%282%2947-35%2919-34%284%2928%2832%2843%2944%2925%2839%2920-36%2845%2C50-34%2918-23%2838%2917-33%283%2926%2849-33%2915-16-27%2840%2946-21%2Fh6-12%2C14-16%2C21-26%2C28-31%2C38-39%2C41-42%2C45H%2C13%2C17-20%2C37H2%2C1-5H3%2C%28H%2C43%2C44%29,0.286244064569473,2.88252711296082,23.9914169311523,12.0,10.5487842559814,10.0,654.389983177185,0.714691698551178,1.51149070262909,0.0,0.128139451146126,3.97688746452332,60.4280853271484,-0.408161848783493,7.91839408874512,244.755172729492,3426.56909179688,1.33591508865356,59.1438407897949,-1349.69055175781,4018.89721679688,1.1767144203186,12.0961351394653,91.0571899414062,-64.6832580566406,5601.2978515625,99.3896560668945,6115.05078125,117.581680297852,1.42467141151428,3.0,0.722700774669647,0.0391399897634983,8786.1396484375,3.98529815673828,16.0073947906494,17.64,0.0439443476498127,10.8288,10.0068845748901,6469.96630859375,9.04870414733887,-1.67079997062683,11.9961004257202,0.2853082716465,0.368421047925949,563.021484375,0.505464255809784,3.88000011444092,3104.75463867188,0.277299225330353,0.0,34.234935760498,6.00155115127563,,-1.5291531085968,68.7759704589844,0.0,-0.0732839182019234,1.11297833919525,0.583333313465118,15.0360908508301,0.0566037735849057,630.81494140625,9.16255855560303,0.330051124095917,0.0,175.377487182617,1.57714867591858,-0.761499999999991,4.48212814331055,-0.595368981361389,20.6013145446777,11.9412136077881,-0.0931890979409218,26.9369201660156,0.0,180.300003051758,10.4166202545166,-0.405393540859222,637.884033203125,19.2524585723877,580.282958984375,0.444290906190872,3.0,3517.58056640625,24.3240127563477,0.165762931108475,5.0,38.7870063781738,1539.0,4.62308788299561,4.65809154510498,0.455056846141815,6.98407697677612,2.33299994468689,0.246399641036987,7.70030403137207,2.0,235.44,14.0,17.6399993896484,0.515291273593903,216.030517578125,0.116153903305531,8.0,3.47503423690796,0.0,11.2753019332886,0.922935426235199,393.128875732422,-1191.28979492188,29.2009086608887,0.216755107045174,0.0711168125271797,4867.27099609375,177.9026,251.824279785156,2.96679353713989,-57.091983795166,17.0175914764404,5.69205045700073,0.260422736406326,103.470268249512,0.852301120758057,14.4987983703613,0.337295293807983,6.0,0.368632912635803,2.0,0.375394016504288,9.67719078063965,0.0518570058047771,7.09108352661133,2.79157257080078,4.05721950531006
InChI%3D1S%2FC31H52O3%2Fc1-21%282%2913-10-14-22%283%2915-11-16-23%284%2917-12-19-31%289%2920-18-28-26%287%2929%2833-27%288%2932%2924%285%2925%286%2930%2828%2934-31%2Fh21-23H%2C10-20H2%2C1-9H3,0.26349288225174,2.95050573348999,21.1659088134766,3.0,9.34417724609375,2.0,420.337988853455,0.934580385684967,1.50791144371033,0.0,0.189048364758492,2.21651911735535,36.3234062194824,-0.361250221729279,6.55891227722168,139.227874755859,2360.58813476562,1.25829434394836,36.6604614257812,-270.379241943359,2677.45654296875,0.65063488483429,12.3904762268066,52.763298034668,-18.3108348846436,3676.16918945312,55.3209190368652,3893.51318359375,52.988826751709,0.200000002980232,14.0,0.829347670078278,0.127947717905045,6447.02978515625,1.61058557033539,15.9983177185059,14.0741357767597,0.022657785564661,9.43638525564804,14.1907005310059,3534.02685546875,14.5930967330933,3.40000009536743,11.996618270874,0.0654196217656136,0.476190477609634,552.032470703125,0.460519313812256,4.53999996185303,1072.04187011719,0.170652315020561,0.0,15.0815315246582,3.30622220039368,,-0.331405222415924,61.6367645263672,0.0,-0.0224436856806278,0.480936348438263,0.90909093618393,8.41244316101074,0.4,762.483825683594,6.65273094177246,0.309880971908569,0.0,123.269737243652,0.380819082260132,9.0599,2.93324780464172,-0.197958528995514,13.1348848342896,10.6188373565674,0.0370870716869831,17.738374710083,0.0,138.708999633789,5.73563528060913,-0.0235387235879898,676.629028320312,8.45338439941406,324.567840576172,-0.0683582946658134,14.0,1314.00732421875,12.3072719573975,0.104721188545227,2.0,18.4855098724365,1118.0,3.52833533287048,4.16517019271851,0.399664133787155,4.37460660934448,10.8859996795654,0.0,5.23498916625977,16.0,35.53,1.0,14.0741357803345,0.0959625989198685,113.590019226074,0.0,10.0,0.0,0.0,9.43638515472412,0.358312129974365,537.401184082031,-220.590759277344,23.7349700927734,0.0411405190825462,0.174398750066757,1584.38647460938,144.035,53.3730506896973,2.27511954307556,-14.9390211105347,13.931923866272,0.534522473812103,0.102062076330185,36.7963447570801,0.889729261398315,12.0156393051147,0.1397545337677,0.0,0.201282918453217,1.0,0.398110896348953,8.08390712738037,0.135615482926369,5.55687665939331,11.5600004196167,3.8485734462738
InChI%3D1S%2FC9H17ClN3O3PS%2Fc1-5-14-17%2818%2C15-6-2%2916-9-11-8%2810%2913%2812-9%297%283%294%2Fh7H%2C5-6H2%2C1-4H3,0.29558190703392,1.187131524086,14.4573850631714,6.0,1.31037068367004,0.0,296.610997200012,0.933584690093994,0.712540686130524,1.0,0.198675215244293,1.58432137966156,40.8942909240723,-0.309645444154739,4.22416973114014,118.163528442383,1016.08941650391,1.43290710449219,35.3296318054199,-219.596664428711,1142.7392578125,1.97704493999481,8.64889430999756,47.9356880187988,-15.6763324737549,1536.21667480469,45.9042587280273,1395.36010742188,47.194896697998,1.5,7.0,0.811240077018738,1.12126410007477,1215.08996582031,1.50761926174164,34.9688529968262,6.9632,0.0372704267501831,4.56599286563615,1.89148318767548,1302.24670410156,3.10068774223328,2.46679997444153,11.8900003433228,0.0664153099060059,0.444444447755814,317.904541015625,0.627190411090851,1.46000003814697,590.798034667969,0.188759922981262,1.0,14.6053409576416,1.83601915836334,,-0.350793927907944,37.4453468322754,0.5,-0.0250421036034822,0.232307806611061,0.800000011920929,4.74306106567383,0.388888888888889,584.423095703125,2.50629878044128,0.292180776596069,0.0,56.9294662475586,0.615638494491577,3.8393,1.14079391956329,-0.57784241437912,0.25,9.6670265197754,0.52204954624176,1.08738040924072,1.0,76.4418029785156,3.13563370704651,-0.417665988206863,507.835510253906,5.30066108703613,129.269073486328,0.249384582042694,7.0,943.768249511719,5.20717239379883,0.109585605561733,3.0,23.3312511444092,250.0,2.24634003639221,4.99029684066772,0.450470119714737,3.47556567192078,2.89400005340576,0.096225045621395,2.82057118415833,9.0,100.3,6.0,6.96320009231567,0.219821989536285,73.9702529907227,0.0372678004205227,5.0,0.0,0.0,4.56599283218384,0.308012455701828,389.671966552734,-137.467300415039,13.5185022354126,0.0789888054132462,0.166080102324486,1163.36486816406,73.808,41.5759201049805,1.45091605186462,-9.81336879730225,8.92898559570312,0.0,0.111803397536278,39.0075836181641,0.635661542415619,7.27747678756714,0.113878808915615,0.0,0.116793312132359,0.0,0.355246603488922,5.00952100753784,0.159015119075775,3.93330073356628,6.08510208129883,1.57692515850067
InChI%3D1S%2FC8H4O3%2Fc9-7-5-3-1-2-4-6%285%298%2810%2911-7%2Fh1-4H,0.30262953042984,0.228284925222397,5.7839503288269,3.0,4.24264049530029,4.0,144.08499622345,0.520609200000763,0.108071573078632,0.0,0.206548795104027,2.43390214649253e-08,13.3234071731567,-0.260433107614517,2.2630763053894,199.581558227539,507.647247314453,1.47298634052277,13.3283681869507,-194.308746337891,595.029357910156,13.2956695556641,3.5208740234375,19.8773059844971,-36.1765823364258,825.007080078125,17.6567363739014,642.815307617188,11.7670211791992,0.0,0.0,0.450172543525696,3.08793520927429,146.029998779297,0.438279300928116,15.9969205856323,2.80276816608997,0.0598866753280163,1.20982986767486,0.0,315.547729492188,0.0,0.797599971294403,11.8500003814697,0.479390829801559,0.400000005960464,59.3153343200684,0.589264750480652,2.00999999046326,57.7482643127441,0.549827456474304,0.0,7.89074802398682,0.743570029735565,,-0.535301387310028,8.2048282623291,0.0,-0.0996629074215889,0.248005643486977,0.666666686534882,3.53726053237915,0.0,188.975631713867,2.50978708267212,0.391268283128738,0.0,7.9680061340332,0.382737040519714,0.9972,0.765811145305634,-0.252007007598877,3.96540641784668,8.4333028793335,0.191299796104431,6.87156677246094,0.0,39.7487983703613,1.8843150138855,-0.194822862744331,163.40788269043,3.18820071220398,13.7519569396973,0.0642627403140068,0.0,159.090759277344,3.99656224250793,4.2080272599776e-09,1.0,21.7382297515869,96.0,0.488132447004318,4.29921865463257,0.534300446510315,0.624801576137543,0.574999988079071,0.078567422926426,0.562811374664307,0.0,43.37,3.0,2.80276823043823,0.351579278707504,72.4459991455078,0.0255155190825462,11.0,0.25,0.0,1.20982992649078,0.514865815639496,-36.1736793518066,-70.5320281982422,5.53414583206177,0.0780738964676857,0.266473144292831,353.399505615234,36.188,174.013809204102,0.227670907974243,-13.1317176818848,3.1438467502594,1.0,0.0,57.9148139953613,0.643442690372467,2.22256088256836,0.0816021412611008,0.0,0.0448895953595638,2.0,0.349421173334122,1.5522872209549,0.309746861457825,1.03326463699341,0.636165738105774,0.586029410362244
InChI%3D1S%2FC9H5Cl3N4%2Fc10-5-3-1-2-4-6%285%2913-9-15-7%2811%2914-8%2812%2916-9%2Fh1-4H%2C%28H%2C13%2C14%2C15%2C16%29,0.206909835338593,0.569130718708038,11.1414136886597,3.0,3.72966551780701,6.0,270.485994338989,0.922455847263336,0.248787298798561,0.0,0.32732766866684,0.753675222396851,40.5782127380371,-0.249933585524559,1.81140983104706,302.382507324219,1116.095703125,1.48545229434967,24.1846942901611,-458.475891113281,1263.1806640625,1.80001938343048,8.57632827758789,38.804874420166,-37.9932746887207,1647.45532226562,36.648365020752,1500.234375,39.5762329101562,0.0,1.0,0.424344956874847,2.35872626304626,436.070007324219,0.64339679479599,34.9710578918457,5.55765595463138,0.0410077385604382,3.49519890260631,0.0,1157.67102050781,0.0,2.47140002250671,11.9985370635986,0.0775441378355026,0.5,117.086761474609,0.591152191162109,1.67999994754791,177.5283203125,0.575655043125153,3.0,11.3150005340576,1.18384337425232,,-0.87281483411789,14.3988628387451,2.67269611358643,-0.0723289847373962,0.117851130664349,1.0,4.47745370864868,0.0588235294117647,484.551513671875,3.09911632537842,0.162583485245705,1.0,23.3642272949219,0.352271318435669,2.9973,1.12504601478577,-0.323868244886398,3.96540641784668,9.94461345672607,0.332010716199875,5.8085036277771,0.0,68.2593994140625,2.01881408691406,-0.30659219622612,222.901718139648,3.29462933540344,46.2141723632812,0.130845993757248,1.0,337.966186523438,3.93014931678772,0.0676462799310684,0.0,21.5407180786133,217.0,0.887323915958405,6.38116931915283,0.434369832277298,1.20024490356445,1.7940000295639,0.0,1.1396152973175,0.0,53.93,4.0,5.55765581130981,0.151374712586403,158.836776733398,0.0,10.0,0.0,0.0,3.49519896507263,0.326454192399979,-79.4807891845703,-240.830154418945,10.3129959106445,0.0486111119389534,0.164733573794365,796.442077636719,63.0777,40.7327117919922,0.611441671848297,-19.9572677612305,5.80551862716675,0.0,0.0,59.533992767334,0.915148198604584,4.37234592437744,0.100482150912285,0.0,0.0422577112913132,0.0,0.459930330514908,2.69405269622803,0.112955518066883,1.92209410667419,6.10781812667847,1.02991676330566
InChI%3D1S%2FC15H18ClN3O%2Fc1-15%282%2C3%2914%2820%2913%2819-10-17-9-18-19%298-11-4-6-12%2816%297-5-11%2Fh4-10%2C14%2C20H%2C1-3H3,0.0963601768016815,0.809523463249207,12.1749000549316,3.0,2.10257887840271,7.0,273.637993812561,0.910327136516571,0.42760244011879,0.0,0.209585785865784,1.70303225517273,29.5671863555908,-0.386293739080429,3.01131987571716,180.523788452148,1432.96850585938,1.32594132423401,24.4747428894043,-299.348846435547,1642.67883300781,3.09111261367798,7.46054840087891,36.1185607910156,-24.1195945739746,2243.39282226562,33.6162338256836,2070.63891601562,30.6650543212891,0.0,4.0,0.665745496749878,1.93359875679016,1469.05004882812,1.10395514965057,34.9688529968262,6.84,0.0417662002146244,4.49632653061224,3.64256978034973,1962.33654785156,3.04879641532898,1.8264000415802,11.9943437576294,0.0896728560328484,0.444444447755814,194.188095092773,0.415706843137741,2.55999994277954,322.007354736328,0.3342544734478,1.0,12.1825819015503,2.32824087142944,,-0.554268777370453,26.450553894043,0.5,-0.0446593947708607,0.636082768440247,0.800000011920929,4.782310962677,0.19047619047619,491.6484375,3.61370658874512,0.247338369488716,0.0,40.3000259399414,0.260076344013214,3.3366,1.45804238319397,-0.143491640686989,6.50133085250854,11.3707265853882,-0.0145787950605154,10.6328945159912,0.0,87.1532974243164,3.81979632377625,0.0407898910343647,359.555084228516,4.62952470779419,90.7354125976562,-0.0060630259104073,4.0,596.222839355469,6.47435474395752,0.139880582690239,0.0,22.5570411682129,305.0,1.84209561347961,6.10589981079102,0.438266396522522,1.96670854091644,2.36800003051758,0.144337564706802,2.29895520210266,8.0,50.94,4.0,6.84000015258789,0.16666667163372,97.4970779418945,0.0559016987681389,10.0,0.0,0.0,4.4963264465332,0.249296993017197,179.031295776367,-161.671997070312,12.9066362380981,0.0557286292314529,0.232919707894325,895.571716308594,81.1028,48.4304161071777,1.86937499046326,-13.0264835357666,7.12531471252441,0.0,0.288675129413605,46.6766357421875,0.869398713111877,6.49678754806519,0.0798094049096107,1.0,0.236668154597282,0.0,0.471968084573746,3.51350402832031,0.127043545246124,2.16137981414795,3.33573698997498,1.42522156238556
InChI%3D1S%2FC11H15NO2%2Fc1-7-5-8%282%299%283%2910%286-7%2914-11%2813%2912-4%2Fh5-6H%2C1-4H3%2C%28H%2C12%2C13%29,0.283324867486954,0.35068091750145,9.70981693267822,3.0,4.61053943634033,3.0,178.125995635986,0.789546489715576,0.106692261993885,0.0,0.131369784474373,1.06913506984711,15.9089260101318,-0.325478762388229,3.70330786705017,117.916206359863,754.083374023438,1.3543164730072,15.3286466598511,-135.655029296875,836.395935058594,9.1109733581543,4.93737459182739,21.5455856323242,-22.312370300293,1108.66821289062,21.1587371826172,1050.65808105469,16.9928302764893,0.0,2.0,0.751202702522278,0.789870858192444,659.030029296875,0.864210486412048,15.9959211349487,5.18559556786704,0.0388388521969318,3.27272727272727,2.52730369567871,751.185119628906,6.95548009872437,2.53099989891052,11.8900003433228,0.210453525185585,0.428571432828903,168.737945556641,0.520217061042786,2.33999991416931,194.122177124023,0.248797312378883,0.0,8.72412776947021,1.1721693277359,41.8199996948242,-0.286225348711014,19.634105682373,0.0,-0.0470779910683632,0.232307806611061,0.75,3.13601088523865,0.142857142857143,374.201477050781,2.29663586616516,0.381398290395737,1.0,27.5226745605469,0.281643688678741,2.5344,0.544369041919708,-0.262195020914078,0.5,9.16135025024414,0.203986078500748,5.33041000366211,0.0,58.3736991882324,2.35258316993713,-0.0866204723715782,356.028656005859,3.14557766914368,56.7812156677246,-0.00804044865071774,2.0,409.588104248047,4.39773416519165,0.11010866612196,1.0,18.4074745178223,155.0,0.984261572360992,4.76409721374512,0.486785024404526,1.09240770339966,2.32599997520447,0.0,1.30468988418579,5.0,41.82,2.0,5.18559551239014,0.0555555559694767,55.8857765197754,0.0,10.0,0.0,0.0,3.27272725105286,0.205950379371643,238.112442016602,-64.2929992675781,8.95737648010254,0.020833333954215,0.282865166664124,545.2431640625,57.2688,99.7433624267578,0.5357546210289,-10.5748329162598,4.45737600326538,0.5,0.0,40.7198448181152,0.888858377933502,3.31319856643677,0.0710051730275154,1.0,0.101631566882133,0.0,0.347314417362213,2.15657901763916,0.246237322688103,1.25079143047333,6.40596103668213,0.765044212341309
InChI%3D1S%2FC25H22ClNO3%2Fc1-17%282%2924%2818-11-13-20%2826%2914-12-18%2925%2828%2930-23%2816-27%2919-7-6-10-22%2815-19%2929-21-8-4-3-5-9-21%2Fh3-15%2C17%2C23-24H%2C1-2H3,0.270966678857803,1.06729102134705,18.8981494903564,4.0,9.47431087493896,16.0,397.731989860535,0.845476627349854,0.698325932025909,0.0,0.226360261440277,1.54374063014984,40.3961486816406,-0.310033977031708,5.35130596160889,306.082214355469,1948.3681640625,1.44255018234253,35.7783813476562,-625.507080078125,2230.51098632812,2.0166757106781,12.0031032562256,50.5008659362793,-43.7082748413086,2973.07421875,53.2761383056641,3051.01879882812,52.4316711425781,0.200000002980232,8.0,0.570912718772888,0.22506745159626,2046.05004882812,1.16671252250671,34.9688529968262,12.2963764196863,0.0307768266648054,7.25925925925926,3.71375250816345,2863.61865234375,4.50565052032471,3.35470008850098,11.8500003814697,0.154523372650146,0.5,290.505706787109,0.561352550983429,3.66000008583069,593.675048828125,0.429087281227112,1.0,15.6606140136719,1.87707018852234,59.3199996948242,-0.876879155635834,29.9205532073975,0.0,-0.0612732879817486,0.328567415475845,1.0,8.53294658660889,0.25,603.106567382812,6.44185304641724,0.283165603876114,0.0,91.0229873657227,0.534061372280121,6.67998,3.02065110206604,-0.245716109871864,17.0665702819824,10.9797325134277,-0.0447267293930054,26.4306735992432,0.0,129.120407104492,3.93352317810059,0.105105876922607,407.251037597656,6.58551979064941,209.079116821289,-0.152193948626518,8.0,832.254821777344,8.28720951080322,0.0816873982548714,2.0,21.9541339874268,768.0,1.71170926094055,4.59888172149658,0.428559958934784,2.17175650596619,3.33999991416931,0.0,2.24169683456421,10.0,59.32,3.0,12.2963762283325,0.268728733062744,218.338623046875,0.0,13.0,0.0,0.0,7.25925922393799,0.310652732849121,101.168815612793,-446.195007324219,17.54345703125,0.087630569934845,0.151633962988853,1457.76196289062,116.435,110.226661682129,1.041219830513,-31.1785659790039,10.0389051437378,0.534522473812103,0.0,65.6624069213867,0.678967833518982,7.64330530166626,0.088006854057312,0.0,0.144641861319542,1.0,0.452637612819672,4.89270734786987,0.132530823349953,3.31338143348694,11.2540121078491,2.07508087158203
InChI%3D1S%2FC2H6ClO3P%2Fc3-1-2-7%284%2C5%296%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29,0.313268184661865,0.0,4.68339729309082,1.0,0.0,0.0,138.445998191833,0.528395295143127,0.0,0.0,0.212185218930244,0.847856223583221,22.6865749359131,-0.322435289621353,0.949411630630493,167.252227783203,142.643493652344,1.59572112560272,16.836332321167,-178.895401000977,135.089889526367,6.75252199172974,2.88612937927246,14.8502597808838,-39.763729095459,132.577819824219,11.6083335876465,78.4991912841797,11.7959566116333,0.0,2.0,0.566003084182739,9.13146018981934,102.050003051758,0.605405032634735,34.9693794250488,2.34375,0.0749767050147057,6.0,0.0,42.5492057800293,0.0,-0.504700005054474,11.998706817627,0.47160467505455,0.5,84.0599975585938,0.543027102947235,1.12999999523163,89.9117813110352,0.433996915817261,1.0,11.1351718902588,1.56066012382507,67.3399963378906,-0.464209347963333,15.4172420501709,0.0,-0.10318149626255,0.0,1.0,0.75,0.333333333333333,203.631164550781,0.0,0.202718585729599,0.0,5.992112159729,0.31146028637886,1.2793,0.0,-0.142596647143364,1.0,6.18443965911865,0.0410176515579224,0.0,1.0,24.5312995910645,0.75,-0.136529713869095,218.124313354492,1.0,12.9987411499023,0.0823785588145256,2.0,233.30891418457,0.25,0.181034445762634,0.0,28.8942642211914,38.0,0.189651370048523,2.69861841201782,0.468236863613129,0.242444276809692,-0.551999986171722,0.0,0.0310684889554977,7.0,73.0,3.0,2.34375,0.0,64.4550857543945,0.0,4.0,1.5,0.0,6.0,0.0,50.8720893859863,-68.9420928955078,4.52193832397461,0.0,0.300515115261078,412.204315185547,24.5665,181.745391845703,0.323007196187973,-15.3240079879761,2.65066123008728,0.0,0.0387492142617702,68.6579895019531,0.597514271736145,1.90004992485046,0.0,2.0,0.0,1.0,0.584457159042358,0.817658960819244,0.292862862348557,0.495680689811707,0.254722088575363,0.0
InChI%3D1S%2FC12H19O2PS3%2Fc1-4-10-18-15%2816%2C13-5-2%2914-11-6-8-12%2817-3%299-7-11%2Fh6-9H%2C4-5%2C10H2%2C1-3H3,0.223501697182655,1.85509049892426,18.9272975921631,5.0,0.333333343267441,6.0,303.305000305176,0.985633313655853,1.38113188743591,1.0,0.318318486213684,1.9544585943222,43.5826110839844,-0.321443617343903,2.63052797317505,165.939895629883,1331.44104003906,1.34794414043427,40.3139381408691,-186.766464233398,1455.31396484375,0.243950679898262,14.3423099517822,50.8699684143066,-13.4874935150146,1818.92041015625,44.6661911010742,1769.24841308594,42.0873527526855,0.5,8.0,0.726388454437256,0.174969911575317,1063.06005859375,0.817555069923401,31.9743137359619,8.22684310018904,0.0251162592321634,5.68047337278106,4.34633207321167,1576.5751953125,1.13695240020752,2.68889999389648,11.9984521865845,0.0143666779622436,0.454545468091965,267.178619384766,0.538793563842773,2.11999988555908,300.711334228516,0.273611545562744,0.0,9.23820781707764,1.33502495288849,110.959999084473,-0.307951629161835,33.2229347229004,0.0,-0.0222389809787273,0.0,0.833333313465118,4.07701110839844,0.444444444444444,597.766784667969,2.94942378997803,0.138980656862259,0.0,70.9005584716797,0.288092643022537,5.8421,1.14501130580902,-0.224306300282478,5.62605857849121,12.3536376953125,0.170600742101669,5.48213529586792,1.0,92.0572967529297,2.23138046264648,-0.111669637262821,440.539978027344,3.50030946731567,163.565368652344,-0.0166504085063934,8.0,495.830688476562,3.84435725212097,0.103261366486549,2.0,15.2325057983398,293.0,3.61812400817871,5.32711791992188,0.440830588340759,5.33788919448853,4.86399984359741,0.0,5.1699104309082,10.0,110.96,1.0,8.22684288024902,0.0833333358168602,100.639205932617,0.0,10.0,0.0,2.0,5.68047332763672,0.117851130664349,274.600067138672,-113.27010345459,14.2630929946899,0.0277777779847383,0.285534173250198,682.59716796875,87.737,8.71310043334961,2.46305584907532,-8.17989349365234,11.3133029937744,0.0,0.335410207509995,28.7199993133545,0.802345514297485,10.6986331939697,0.0453609228134155,0.0,0.0,0.0,0.368320018053055,8.20161628723145,0.198510691523552,6.32731533050537,7.23018312454224,4.08583784103394
InChI%3D1S%2FC3H8NO5P%2Fc5-3%286%291-4-2-10%287%2C8%299%2Fh4H%2C1-2H2%2C%28H%2C5%2C6%29%28H2%2C7%2C8%2C9%29,0.34332063794136,0.0934911370277405,7.50278949737549,2.0,0.0,0.0,161.008997917175,0.236729770898819,0.0,0.0,0.319238364696503,0.55806690454483,19.8827476501465,-0.338923841714859,1.25022184848785,184.572250366211,209.307205200195,1.28321325778961,18.8811492919922,-329.674774169922,211.195068359375,6.62666940689087,5.69450092315674,18.9319267272949,-53.6598701477051,228.426651000977,11.3461694717407,156.099716186523,9.23929977416992,0.0,4.0,0.509013950824738,0.360908210277557,199.070007324219,0.909178137779236,30.9745693206787,4.0,0.0784286633133888,9.14285714285714,0.0,121.159225463867,0.0,-1.36829996109009,11.9989995956421,0.763270199298859,0.5,71.9323348999023,0.553133547306061,1.01999998092651,128.482345581055,0.490986049175262,0.0,11.0833053588867,1.96890842914581,116.669998168945,-0.876977503299713,18.8016567230225,0.0,-0.142742201685905,0.0,1.0,1.04064047336578,0.444444444444444,88.991828918457,0.510310351848602,0.166634261608124,0.0,10.9950094223022,0.56227970123291,-2.6887,0.0,-0.267307162284851,0.5,6.15963506698608,-0.163007602095604,1.15470051765442,1.0,30.781099319458,1.03867518901825,0.321017652750015,191.349319458008,0.984454214572906,22.4708938598633,-0.0554516762495041,4.0,341.779663085938,0.585025012493134,0.0743812546133995,0.0,29.4830265045166,87.0,0.166378632187843,2.67278838157654,0.427572399377823,0.137022063136101,-2.67899990081787,0.0,0.0764297321438789,10.0,129.74,6.0,4.0,0.0,69.3846893310547,0.0,4.0,2.58640933036804,0.0,9.14285755157471,0.0,6.77707004547119,-123.931854248047,5.24350690841675,0.0,0.185113176703453,671.454467773438,28.4664,286.929748535156,0.387556940317154,-20.1719017028809,2.83726859092712,0.0,0.0387492142617702,83.1428985595703,0.726770997047424,2.0553297996521,0.0,3.0,0.0,2.0,0.302507311105728,0.753125965595245,0.181984648108482,0.4094018638134,1.8722448348999,0.181055873632431
InChI%3D1S%2FC10H14O2%2Fc1-10%282%2C3%298-6-7%2811%294-5-9%288%2912%2Fh4-6%2C11-12H%2C1-3H3,0.102106049656868,0.211075142025948,7.95612716674805,2.0,1.65096366405487,5.0,152.107995986938,0.724282324314117,0.105498775839806,0.0,0.202733293175697,0.801109731197357,13.5489377975464,-0.386317282915115,2.35234570503235,112.326835632324,678.994995117188,1.27138793468475,12.6641836166382,-111.553230285645,764.336791992188,12.4841794967651,4.80267143249512,19.3283672332764,-24.7066879272461,1050.95739746094,17.6604595184326,893.610046386719,14.9925518035889,0.0,1.0,0.708264291286469,4.63810443878174,544.02001953125,0.703386425971985,15.9982604980469,3.39506172839506,0.0456062108278275,2.49307479224377,2.29892826080322,614.150024414062,3.12012577056885,1.63779997825623,11.9962491989136,0.275717705488205,0.400000005960464,104.99853515625,0.525622189044952,2.33999991416931,104.275398254395,0.291735708713531,0.0,6.76101493835449,2.00825381278992,40.4599990844727,-0.289726495742798,15.3048982620239,0.0,-0.0641683042049408,0.436886727809906,0.666666686534882,2.73935198783875,0.0833333333333333,278.870025634766,2.07811546325684,0.295664697885513,0.0,17.0294971466064,0.108915656805038,2.3953,0.382482409477234,-0.0361627265810966,1.65096366405487,9.7400484085083,-0.00136778992600739,5.85380077362061,0.0,52.0735015869141,2.55712699890137,0.0017636037664488,272.702606201172,3.83925700187683,34.0361976623535,-0.0529336780309677,1.0,270.824462890625,5.20578670501709,0.100690916180611,0.0,17.5597343444824,98.0,1.32165634632111,5.01655626296997,0.474325031042099,1.55267477035522,2.21499991416931,0.0,1.56887185573578,4.0,40.46,0.0,3.3950617313385,0.0680413842201233,43.249137878418,0.0,8.0,0.200000002980232,0.0,2.49307489395142,0.170103460550308,160.375778198242,-42.9512786865234,7.62647819519043,0.0240562614053488,0.362886160612106,382.377716064453,48.4716,106.15943145752,1.46125411987305,-9.51280212402344,3.93524742126465,0.0,0.25,42.2664222717285,0.744211971759796,3.95145201683044,0.0335447043180466,2.0,0.23514024913311,0.0,0.271440714597702,1.78814971446991,0.219309434294701,1.12474882602692,2.68238878250122,0.644570469856262
InChI%3D1S%2FC6H7N3O2%2Fc7-4-1-2-5%288%296%283-4%299%2810%2911%2Fh1-3H%2C7-8H2,0.178614720702171,0.120613142848015,6.8544397354126,4.0,1.65096366405487,6.0,146.084997177124,0.877489745616913,0.0325636155903339,0.0,0.23210421204567,0.0152308261021972,13.6289024353027,-0.323234558105469,2.43313646316528,162.455413818359,481.759552001953,1.40123343467712,12.6054878234863,-154.552871704102,535.915954589844,7.04897975921631,4.40607213973999,17.4357643127441,-24.2539844512939,692.737670898438,16.6854667663574,587.988159179688,13.2938442230225,0.0,1.0,0.522776007652283,1.00019085407257,214.050003051758,0.497345894575119,16.0168724060059,3.6,0.0493197441101074,2.21453287197232,0.0,319.478485107422,0.0,-1.54639995098114,11.9989995956421,0.122510261833668,0.400000005960464,60.581428527832,0.545059025287628,1.57000005245209,57.6344833374023,0.477223992347717,0.0,5.71537399291992,0.993793487548828,86.1800003051758,-0.454009711742401,7.58844900131226,0.0,-0.0712477490305901,0.232307806611061,0.666666686534882,2.50549149513245,0.0909090909090909,298.712890625,1.89818668365479,0.354972332715988,0.0,10.8247423171997,0.0961242616176605,1.2824,0.307529658079147,0.00465727504342794,1.65096366405487,8.16389083862305,-0.0179443098604679,5.85380077362061,0.0,11.3299999237061,1.85140001773834,-0.0474402830004692,177.962127685547,2.5294976234436,17.8424644470215,-0.0189049802720547,1.0,169.305267333984,3.35758996009827,0.00222203810699284,0.0,16.789306640625,89.0,0.43682649731636,3.67611265182495,0.496854513883591,0.44450169801712,1.48099994659424,0.0,0.444592177867889,2.0,97.86,2.0,3.59999990463257,0.0680413842201233,55.3026733398438,0.0,11.0,0.5,0.0,2.21453285217285,0.175366476178169,15.5067129135132,-52.6125068664551,5.65046167373657,0.0240562614053488,0.317841172218323,323.858123779297,44.0888,41.7046432495117,0.281375914812088,-8.25648212432861,2.90413928031921,0.0,0.0,41.0432891845703,0.524660468101501,2.07536292076111,0.0385360643267632,0.0,0.0322748608887196,2.0,0.359319895505905,1.25118947029114,0.152903541922569,0.718813240528107,2.391352891922,0.427555739879608
InChI%3D1S%2FC12H8Cl2O3S%2Fc13-9-1-5-11%286-2-9%2917-18%2815%2C16%2912-7-3-10%2814%294-8-12%2Fh1-8H,0.302104383707047,0.844115853309631,11.5116291046143,3.0,1.32180213928223,12.0,295.101994514465,0.905735492706299,0.369522958993912,0.0,0.267218023538589,1.15892314910889,41.8766670227051,-0.228324994444847,2.4140100479126,354.481292724609,1345.64794921875,1.43568933010101,32.5745506286621,-408.118988037109,1528.02380371094,3.31360673904419,7.93869543075562,43.8001708984375,-41.5990943908691,2084.94384765625,42.8070106506348,1904.14294433594,32.5658416748047,0.0,3.0,0.397075265645981,10.1539974212646,423.059997558594,0.457157969474792,34.969856262207,5.96982167352538,0.0415754429996014,3.99583766909469,0.0,1502.93249511719,0.0,2.25780010223389,11.8500003814697,0.0942644998431206,0.454545468091965,137.256607055664,0.558157742023468,2.11999988555908,158.025344848633,0.602924764156342,2.0,14.3713426589966,1.97628879547119,51.75,-0.694155216217041,17.9776554107666,0.0,-0.0707544311881065,0.348461717367172,0.833333313465118,4.48547697067261,0.157894736842105,532.514709472656,3.60697960853577,0.209701865911484,0.0,31.1620807647705,0.29605770111084,4.8419,1.22949576377869,-0.182741895318031,7.8177809715271,11.3192415237427,0.0960194766521454,11.1876850128174,0.0,79.9912033081055,3.22751998901367,-0.0200872048735619,233.454925537109,4.29651832580566,64.883415222168,-0.0446663424372673,3.0,268.779724121094,5.41310501098633,0.100674122571945,1.0,24.4437103271484,310.0,1.26994800567627,6.08481884002686,0.441551387310028,1.31172931194305,1.17200005054474,0.0,1.46287882328033,4.0,51.75,2.0,5.96982145309448,0.16666667163372,208.412399291992,0.0,16.0,0.5,0.0,3.99583768844604,0.267258912324905,-121.026374816895,-239.947937011719,10.9784440994263,0.0555555559694767,0.198216676712036,676.898742675781,70.762,55.421516418457,0.8663010597229,-24.457612991333,6.47629547119141,1.0,0.0294996798038483,66.0428009033203,0.691694736480713,5.18718290328979,0.0984206944704056,0.0,0.0722591653466225,2.0,0.435980200767517,3.33471846580505,0.262347221374512,2.04089665412903,5.09766101837158,1.48363316059113
InChI%3D1S%2F3C6H5.Sn.H%2Fc3%2A1-2-4-6-5-3-1%3B%3B%2Fh3%2A1-5H%3B%3B,12.2837724685669,0.0,,0.0,0.0,0.0,72.0659980773926,,0.0,0.0,,,115.686866760254,-0.181186482310295,,,704.031494140625,,18.0,,701.635192871094,,,18.0,,701.635192871094,9.0,350.817596435547,0.0,0.0,0.0,,,1258.01000976562,,119.902191162109,2.22222222222222,,1.33333333333333,0.0,0.0,0.0,,11.8500003814697,,0.999000012874603,,,3.32999992370605,,,0.0,,0.0,0.0,,47.8105545043945,0.0,,0.0,999.0009765625,3.1819806098938,0.0,,2.25,,0.0,,0.0,1.6866,0.0,0.0,0.0,6.39361190795898,0.0,0.0,0.0,,0.0,0.0,,0.0,,0.0,0.0,,0.0,,0.0,,1640261632.0,0.0,1.54799616336823,,0.0,12.1859998703003,0.0,0.0,0.0,0.0,0.0,16.0555553436279,0.375,,0.0,6.0,0.0,0.0,14.222222328186,0.0,,,10.3923044204712,0.111111111938953,,,26.442,,0.0,,6.0,0.0,0.0,,,3.46410155296326,0.0,0.0,0.0,0.0,,2.0,,1.15470051765442,,0.666666686534882
InChI%3D1S%2FC18H26O2%2Fc1-13%282%2918-10-9-17%284%2C20-18%2916%2811-18%2919-12-15-8-6-5-7-14%2815%293%2Fh5-8%2C13%2C16H%2C9-12H2%2C1-4H3,0.0939314141869545,1.70617842674255,13.9339370727539,2.0,1.77103018760681,4.0,248.195993423462,0.97638314962387,0.676883399486542,0.0,0.256052374839783,1.67489147186279,21.5489387512207,-0.369983077049255,2.85730981826782,107.551239013672,1370.97106933594,1.32899415493011,23.3283672332764,-138.485748291016,1636.99304199219,1.37388372421265,9.40173625946045,36.988826751709,-9.7840929031372,2461.25610351562,34.0991134643555,2071.79272460938,23.9925518035889,0.333333343267441,4.0,0.80901575088501,0.0,1924.02001953125,1.04170954227448,15.9959239959717,5.32525951557093,0.0299195647239685,2.60302457466919,6.39328908920288,1477.51232910156,4.39169979095459,2.51659989356995,11.8900003433228,0.0236168373376131,0.5,256.562164306641,0.495507001876831,3.22000002861023,330.356048583984,0.190984264016151,0.0,9.48835468292236,2.24775695800781,,-0.245916277170181,32.2553825378418,0.0,-0.0173741169273853,0.827156782150269,1.0,6.19156312942505,0.181818181818182,549.842224121094,5.05755996704102,0.205061197280884,0.0,47.3962440490723,0.332660377025604,4.2478,1.68083155155182,-0.140425428748131,7.78182458877563,10.4178600311279,-0.1067750826478,10.0454368591309,0.0,83.3276977539062,5.3557710647583,0.132175609469414,455.590637207031,7.63768339157104,106.323921203613,-0.0631379187107086,4.0,586.630249023438,10.0710296630859,0.12020231038332,2.0,16.8489589691162,345.0,3.44332981109619,6.38370943069458,0.392934888601303,4.40237998962402,3.56800007820129,0.160557135939598,5.40420722961426,2.0,18.46,2.0,5.32525968551636,0.654243350028992,60.5666046142578,0.0926977023482323,6.0,0.0,0.0,2.60302448272705,1.39050257205963,348.039398193359,-77.9871215820312,13.1090250015259,0.366508632898331,0.287156075239182,725.116027832031,80.666,13.2996301651001,1.58112061023712,-5.50983190536499,7.8144884109497,0.0,0.142258897423744,26.6330509185791,0.827644348144531,7.06445741653442,0.747251510620117,0.0,0.486932307481766,0.0,0.440552324056625,5.44647932052612,0.0722443535923958,3.76619219779968,6.33327579498291,2.85960912704468
InChI%3D1S%2FC6H12N2S4%2Fc1-7%282%295%289%2911-12-6%2810%298%283%294%2Fh1-4H3,0.108664907515049,0.840137720108032,13.8427619934082,6.0,0.333333343267441,0.0,228.348003387451,0.991708517074585,0.224719107151031,2.0,0.379023671150208,0.538020610809326,37.2309875488281,-0.308454602956772,1.69484126567841,198.35920715332,1310.77294921875,1.53813099861145,24.8040046691895,-136.583480834961,1365.89172363281,0.757293701171875,11.6099004745483,38.0489349365234,-5.99849033355713,1562.30541992188,42.8407173156738,1346.36462402344,18.3510818481445,0.0,5.0,0.556806743144989,0.942628502845764,397.059997558594,0.383398413658142,31.9750728607178,5.61224489795918,0.0236091185361147,5.32544378698225,0.0,912.896911621094,2.52982211112976,3.15580010414124,11.9935512542725,0.00829148758202791,0.428571432828903,111.538024902344,0.677674531936646,1.46000003814697,76.8013381958008,0.443193256855011,0.0,4.72931480407715,1.13807117938995,121.26000213623,-0.305167973041534,21.6384830474854,0.0,-0.0134024051949382,0.471404522657394,0.75,1.19245004653931,0.454545454545455,443.857208251953,0.799572467803955,0.122435197234154,0.0,26.8351650238037,0.177577093243599,2.0608,0.222222223877907,-0.155359894037247,0.0,13.5535764694214,0.0841490626335144,0.0,0.0,69.2407989501953,2.41421365737915,0.00510031124576926,249.208999633789,1.19245004653931,51.2645263671875,-0.070487879216671,5.0,171.596939086914,1.2142448425293,0.0388665646314621,0.0,10.5666904449463,122.0,2.79835605621338,7.18313646316528,0.50687962770462,2.04103374481201,1.54799997806549,0.0,1.99655795097351,12.0,121.26,2.0,5.61224508285522,0.0,88.7792739868164,0.0,3.0,0.0,2.0,5.32544374465942,0.0,50.8497848510742,-61.130428314209,10.4639129638672,0.0,0.389582335948944,308.180419921875,67.752,3.71100640296936,1.02779829502106,-2.68473362922668,5.64440631866455,0.0,0.0,16.5651817321777,0.642698407173157,5.23244476318359,0.0,0.0,0.580584764480591,0.0,0.353576809167862,4.20304012298584,0.156112372875214,1.94427692890167,9.95907402038574,1.28772461414337
InChI%3D1S%2FC12H18N2O2%2Fc1-8-6-10%2816-12%2815%2913-3%297-9%282%2911%288%2914%284%295%2Fh6-7H%2C1-5H3%2C%28H%2C13%2C15%29,0.28332108259201,0.450664043426514,13.7143621444702,4.0,4.38093566894531,4.0,204.143995285034,0.835479080677032,0.169980317354202,0.0,0.305493235588074,1.08421754837036,18.268913269043,-0.325537025928497,2.47249722480774,117.529556274414,921.848571777344,1.14833438396454,17.8272018432617,-156.056518554688,1033.14611816406,5.42314100265503,10.1576471328735,24.8779563903809,-16.3017597198486,1394.52294921875,25.4913864135742,1395.05151367188,24.1590156555176,0.0,3.0,0.765835821628571,1.16739737987518,916.039978027344,1.01688182353973,15.9959230422974,6.07438016528926,0.0426264852285385,3.76923076923077,2.74640130996704,1136.58337402344,7.68199014663696,1.8555999994278,11.99338722229,0.164520934224129,0.444444447755814,192.925231933594,0.468158632516861,2.33999991416931,256.167388916016,0.234164163470268,0.0,10.7382335662842,1.40864825248718,45.060001373291,-0.310924738645554,24.893726348877,0.0,-0.0324793867766857,0.268245965242386,0.800000011920929,4.26518583297729,0.1875,419.336090087891,2.198317527771,0.180285260081291,1.0,38.8085784912109,0.361986547708511,2.292,0.863933205604553,-0.314765930175781,0.5,10.0559377670288,0.221973538398743,5.60977554321289,0.0,67.7108001708984,2.61187124252319,-0.104654677212238,384.381378173828,4.71788215637207,79.752799987793,-0.0337714366614819,3.0,510.384155273438,4.89630651473999,0.0790570974349976,1.0,21.3946990966797,214.0,1.09283721446991,4.72218370437622,0.343680530786514,1.8691246509552,2.0460000038147,0.0,1.56872057914734,5.0,45.06,3.0,6.07438039779663,0.0555555559694767,58.989372253418,0.0,11.0,0.0,0.0,3.76923084259033,0.182469829916954,266.851837158203,-78.3264770507812,10.4045896530151,0.020833333954215,0.24507962167263,666.440673828125,66.8588,82.5748596191406,0.677049815654755,-8.18203163146973,5.07540988922119,0.5,0.0,37.696460723877,0.865017592906952,3.90834641456604,0.0594887882471085,1.0,0.120451420545578,0.0,0.336495161056519,2.31221318244934,0.213337615132332,1.83155691623688,3.44325137138367,0.696482062339783
InChI%3D1S%2FC7H6N2O4%2Fc8-6-3-4%289%2812%2913%291-2-5%286%297%2810%2911%2Fh1-3H%2C8H2%2C%28H%2C10%2C11%29,,0.211075484752655,7.81775283813477,4.0,3.14734530448914,5.0,176.086996078491,0.646612703800201,0.0781631097197533,0.0,0.264596879482269,0.0139840096235275,16.8178520202637,,2.43978047370911,205.088973999023,555.133056640625,1.2423974275589,15.1034860610962,-252.526153564453,628.626892089844,7.20675468444824,5.36398839950562,21.5420475006104,-36.2352714538574,830.966979980469,21.4876613616943,761.833862304688,18.4560260772705,0.0,2.0,0.464157551527023,3.43268656730652,205.059997558594,0.571517467498779,,4.48148148148148,0.0616195015609264,2.72108843537415,0.0,480.485900878906,0.0,-1.03629994392395,,0.353387296199799,0.428571432828903,67.9948272705078,0.485608220100403,1.57000005245209,83.7220611572266,0.535842418670654,0.0,9.02669143676758,1.20511829853058,97.4599990844727,-0.659783065319061,8.11324214935303,0.0,-0.0946730375289917,0.398974478244781,0.75,3.05712747573853,0.153846153846154,247.485321044922,1.92928433418274,0.312082082033157,0.0,13.1960821151733,0.273471415042877,0.0637000000000001,0.868330419063568,-0.0995837524533272,1.65096366405487,,0.0233176965266466,6.83080291748047,0.0,14.3271999359131,2.486496925354,-0.0592423751950264,177.652221679688,3.18600940704346,21.1968421936035,0.036413986235857,2.0,218.743270874023,3.51411080360413,0.00178875052370131,0.0,23.584321975708,135.0,0.551549732685089,,0.51246565580368,0.561210513114929,1.31900000572205,0.0,0.494060397148132,2.0,111.97,3.0,4.48148155212402,0.0680413842201233,78.4960021972656,0.0,13.0,1.30139529705048,0.0,2.72108840942383,0.146608799695969,-27.4367561340332,-96.6521682739258,6.42857313156128,0.0240562614053488,0.266094893217087,471.269439697266,44.6934,135.255874633789,0.312949061393738,-13.8687314987183,3.29319500923157,0.0,0.0,59.8195953369141,0.731397449970245,2.33381581306458,0.0366753078997135,1.0,0.0496550165116787,3.0,0.244323551654816,1.4763765335083,0.237287178635597,0.858450591564178,1.07391774654388,0.466823786497116
InChI%3D1S%2FC14H14Cl2N2O%2Fc1-2-7-19-14%289-18-6-5-17-10-18%2912-4-3-11%2815%298-13%2812%2916%2Fh2-6%2C8%2C10%2C14H%2C1%2C7%2C9H2,0.12763512134552,1.00441408157349,11.8938903808594,2.0,3.14734530448914,6.0,283.072993278503,0.954923808574677,0.518423974514008,0.0,0.0983541458845139,1.48125576972961,35.9199523925781,-0.367441564798355,4.88825368881226,244.192016601562,1304.86437988281,1.33144521713257,25.3985843658447,-362.457489013672,1477.19299316406,3.11549520492554,5.52438163757324,35.6617698669434,-32.0228385925293,1940.74572753906,35.6408004760742,1833.34228515625,42.4930610656738,0.0,6.0,0.603001892566681,1.74657678604126,1102.05004882812,0.895043790340424,34.970157623291,7.69526627218935,0.0346226133406162,4.5,1.90865612030029,1696.07177734375,0.718608200550079,2.0929000377655,11.9985179901123,0.0450762137770653,0.444444447755814,228.141754150391,0.419616103172302,2.45000004768372,338.633850097656,0.396998107433319,2.0,13.099235534668,1.03125095367432,,-0.589269578456879,25.0737266540527,0.0,-0.0520615130662918,0.164266422390938,0.800000011920929,5.03637409210205,0.3,587.369995117188,3.3944194316864,0.410988599061966,0.0,42.428352355957,0.386661142110825,4.1338,1.52085471153259,-0.240159466862679,9.37767028808594,10.8680448532104,0.0162620153278112,11.8114175796509,0.0,83.6129989624023,2.16528463363647,0.082661084830761,370.904174804688,3.51384210586548,94.3229293823242,-0.103683397173882,6.0,550.538024902344,4.36996507644653,0.124539203941822,1.0,21.2962379455566,280.0,1.22619640827179,5.20728969573975,0.487685054540634,1.72813856601715,1.74500000476837,0.144337564706802,1.8248518705368,6.0,27.05,3.0,7.69526624679565,0.170103460550308,150.201583862305,0.079056940972805,6.0,0.0,0.0,4.5,0.234292045235634,126.71216583252,-222.946228027344,12.2526407241821,0.0799579620361328,0.247503951191902,912.995544433594,77.579,27.7262077331543,0.677426218986511,-19.6971263885498,7.06551456451416,0.0,0.0,53.3190765380859,0.614713251590729,5.35523653030396,0.100718222558498,0.0,0.0786107331514359,0.0,0.424144059419632,3.65130186080933,0.0831072181463242,2.66158413887024,4.38023042678833,1.52466058731079
InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2,0.0834903791546822,0.0,2.08433222770691,0.0,0.0,0.0,59.4749984741211,1.0,0.0,0.0,0.244189888238907,1.56630075576203e-09,10.7127532958984,-0.193793177604675,0.710924386978149,151.507949829102,81.0053176879883,1.80233669281006,3.95173740386963,-33.4741859436035,56.6020469665527,52.8239517211914,1.37340795993805,2.95173740386963,-17.1956043243408,23.3460159301758,0.0,0.0,0.0,0.0,0.0,0.532228827476501,10.6474771499634,19.0100002288818,0.117590703070164,34.9693794250488,2.0,0.0275636222213507,0.0,1.0,0.0,0.0,1.00199997425079,11.998706817627,0.0,0.5,55.83447265625,0.634450256824493,1.57000005245209,12.3360748291016,0.467771142721176,1.0,2.89161396026611,0.0,0.0,-0.103349409997463,3.69962096214294,0.0,-0.0530903302133083,0.0,1.0,0.0,0.0,323.893341064453,0.0,0.341080158948898,0.0,0.976389229297638,0.0278811901807785,1.3687,0.0,-0.0112892696633935,0.0,5.86817216873169,-0.00265132472850382,0.0,0.0,14.7774000167847,0.0,0.0,172.385375976562,0.0,3.06072163581848,0.0,0.0,38.0868453979492,0.0,7.51464002135549e-10,0.0,8.92767333984375,6.0,0.0,4.77382135391235,0.567940950393677,0.0,1.54900002479553,0.0,0.0,3.0,0.0,0.0,2.0,0.0,49.0724143981934,0.0,2.0,0.0,0.0,0.0,0.0,20.877420425415,-10.8420648574829,2.41835045814514,0.0,0.631549954414368,71.5610275268555,16.05,0.0,0.0,-5.56954145431519,1.06290197372437,0.0,0.0,26.1232776641846,0.716221928596497,0.462910056114197,0.0,0.0,0.0,0.0,0.599945545196533,0.0,0.369666755199432,0.0,1.00400400161743,0.0
InChI%3D1S%2FC10H7NO2%2Fc12-11%2813%2910-7-3-5-8-4-1-2-6-9%288%2910%2Fh1-7H,,0.399133712053299,7.66845941543579,2.0,2.38110160827637,8.0,166.114995956421,1.0,0.210860431194305,0.0,0.187538728117943,0.0843323543667793,14.9089260101318,,3.11046314239502,210.843444824219,698.903930664062,1.21470499038696,15.2731170654297,-135.361373901367,813.083618164062,9.40807342529297,4.47366380691528,20.7710227966309,-18.0559101104736,1100.84362792969,20.8269233703613,1024.65747070312,17.4911079406738,0.0,1.0,0.482982814311981,1.14332985877991,285.029998779297,0.310074687004089,,4.02216066481994,0.0302119590342045,1.92,0.0,652.684997558594,0.0,-0.0465999990701675,,0.0,0.5,80.323371887207,0.559134304523468,2.23000001907349,51.5675621032715,0.517017185688019,0.0,5.02445697784424,0.772165536880493,34.1399993896484,-0.331924736499786,8.90844917297363,0.0,-0.0442755818367004,0.259679704904556,1.0,3.81595873832703,0.0714285714285714,407.807434082031,3.07484126091003,0.405617743730545,0.0,14.5547533035278,0.0570435300469398,3.2712,1.1527236700058,0.000557311635930091,8.73702907562256,,-0.0162229556590319,10.127366065979,0.0,2.88579988479614,1.88458144664764,-0.0115078771486878,196.963989257812,3.02254009246826,23.3967113494873,-0.00129119679331779,1.0,126.450759887695,4.2090048789978,0.0109973009675741,0.0,12.3206615447998,130.0,0.584611296653748,,0.554130077362061,0.79638934135437,4.55900001525879,0.0,0.87075275182724,3.0,45.82,0.0,4.02216053009033,0.151374712586403,85.9835205078125,0.0,13.0,0.5,0.0,1.91999995708466,0.24254684150219,-13.8794584274292,-55.2013702392578,6.80516195297241,0.0518340393900871,0.197343394160271,261.812133789062,52.77,0.0,0.257319629192352,-7.36333465576172,3.91012239456177,0.0,0.0,30.3765716552734,0.840919554233551,2.75538396835327,0.068462461233139,0.0,0.0534484498202801,2.0,0.101440638303757,1.96331775188446,0.208939373493195,1.3675183057785,0.00217155995778739,0.900191307067871
InChI%3D1S%2FC9H8N4OS%2Fc14-9%2812-8-6-10-13-15-8%2911-7-4-2-1-3-5-7%2Fh1-6H%2C%28H2%2C11%2C12%2C14%29,,0.269269406795502,11.6707668304443,5.0,1.19055080413818,6.0,212.192997932434,0.830009460449219,0.149924233555794,0.0,0.336252421140671,0.909159719944,23.3421745300293,,1.63891994953156,182.163726806641,898.305236816406,1.50108730792999,21.3062553405762,-238.461563110352,993.48828125,4.44182443618774,9.12268733978271,28.3607444763184,-24.3168449401855,1223.16967773438,18.7186870574951,915.996765136719,20.6632518768311,0.0,3.0,0.616912961006165,5.73105955123901,415.059997558594,0.807570397853851,,5.915,0.0525894835591316,3.8109640831758,0.0,806.70068359375,0.0,0.516099989414215,,0.169990539550781,0.444444447755814,139.493118286133,0.60169792175293,1.78999996185303,182.603576660156,0.383087038993835,0.0,11.8912572860718,0.696923434734344,,-0.501480400562286,15.4188632965088,2.16745042800903,-0.051137886941433,0.0,0.800000011920929,3.90320348739624,0.1875,394.682159423828,2.43085741996765,0.140429496765137,3.0,24.7353744506836,0.257276147603989,2.1957,0.893950521945953,-0.151150017976761,5.69588470458984,,0.0412155240774155,5.75657844543457,0.0,18.7709999084473,1.14638590812683,0.0456386096775532,293.351501464844,1.91570425033569,49.9993095397949,-0.164017975330353,3.0,384.012023925781,1.96180355548859,0.0779005959630013,0.0,25.00710105896,228.0,0.419836312532425,,0.443505674600601,0.503469109535217,3.0,0.144337564706802,0.357917159795761,4.0,98.64,5.0,5.91499996185303,0.20412415266037,86.6216278076172,0.0707106813788414,14.0,0.0,0.0,3.81096410751343,0.131094351410866,111.187797546387,-113.392105102539,8.47770118713379,0.067430354654789,0.256106972694397,622.473571777344,59.6975,80.8330917358398,0.301312297582626,-11.5630302429199,4.9884729385376,0.0,0.0,49.3239479064941,0.790728747844696,3.46341633796692,0.032022051513195,1.0,0.0,0.0,0.455883741378784,2.16759896278381,0.168443113565445,1.3986439704895,0.266359210014343,0.644287526607513
InChI%3D1S%2FC6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299,0.167216703295708,0.45367643237114,5.68488311767578,0.0,9.1254653930664,6.0,284.783992767334,1.0,0.120535716414452,0.0,0.125003784894943,6.83276057955595e-09,58.2765197753906,-0.167001381516457,2.8424129486084,337.448944091797,1112.02917480469,1.38731706142426,23.7104244232178,-254.301681518555,1287.06384277344,9.38847541809082,2.84247040748596,41.4208488464355,-42.3836135864258,1797.39135742188,90.6973724365234,1744.31628417969,69.986946105957,0.0,0.0,0.085795909166336,0.74952620267868,12.0600004196167,0.0646558403968811,34.9739570617676,3.39506172839506,0.0107759730890393,1.5625,0.0,845.620544433594,0.0,3.61560010910034,11.9985628128052,0.0,0.200000002980232,11.6895122528076,0.465662807226181,1.46000003814697,8.80922222137451,0.914204061031342,6.0,1.46820378303528,1.15470051765442,0.0,-0.688944637775421,2.51999998092651,0.0,-0.11482410877943,0.666666686534882,0.25,2.87293410301208,0.0,369.117736816406,1.65868926048279,0.499994963407516,0.0,8.07947444915771,0.189304560422897,5.607,0.222222223877907,-3.46944695195361e-18,0.0,11.3837738037109,-0.0946522802114487,0.0,0.0,59.2529983520508,3.64273452758789,-0.0473261401057243,31.6687927246094,4.97606754302979,13.7643575668335,3.46944695195361e-18,0.0,23.8656177520752,7.01965713500977,1.20191745445197e-09,0.0,3.97760272026062,102.0,2.77899146080017,7.47172689437866,0.4656662940979,3.65978360176086,4.27799987792969,0.0,4.78164720535278,0.0,0.0,0.0,3.3950617313385,0.0370370373129845,124.558387756348,0.0,6.0,0.0,0.0,1.5625,0.222222223877907,-305.780151367188,-93.8672637939453,9.80336093902588,0.015625,0.16666667163372,278.167297363281,56.502,0.0,0.85042005777359,-15.6445436477661,4.90168046951294,0.0,0.0,46.3612174987793,0.374626159667969,4.15168046951294,0.106302507221699,0.0,0.482142865657806,0.0,0.455987989902496,4.0044116973877,0.16666667163372,2.00220584869385,13.0725631713867,1.00110292434692
InChI%3D1S%2FC15H12F4N4O7S%2Fc1-28-11%2824%297-4-2-3-5-8%287%2931%2826%2C27%2923-15%2825%2922-14-20-9%2829-12%2816%2917%296-10%2821-14%2930-13%2818%2919%2Fh2-6%2C12-13H%2C1H3%2C%28H2%2C20%2C21%2C22%2C23%2C25%29,0.373228877782822,0.821957111358643,18.1108322143555,11.0,7.98217487335205,6.0,456.244990348816,0.723930060863495,0.40568420290947,0.0,0.18710745871067,2.52937054634094,49.9971656799316,-0.33505117893219,5.02628898620605,363.56591796875,1746.84399414062,1.2522577047348,47.0432205200195,-1261.765625,2029.23486328125,2.50071430206299,10.5551738739014,66.2425689697266,-71.5502014160156,2839.3603515625,65.1478652954102,2918.36889648438,78.1131744384766,0.382096260786057,10.0,0.486746340990067,0.267224788665771,1006.15997314453,1.68926668167114,31.9720726013184,12.4592592592593,0.0527061820030212,8.69822485207101,0.846259415149689,2872.54711914062,1.32432758808136,1.66499996185303,11.9974021911621,0.276069909334183,0.5,244.233306884766,0.5123610496521,1.35000002384186,847.618469238281,0.513253688812256,4.0,26.4462299346924,3.25765705108643,154.190002441406,-1.78126120567322,35.7324829101562,2.38110160827637,-0.101008929312229,0.428855359554291,1.0,8.42908096313477,0.3125,512.799621582031,5.84530067443848,0.277529418468475,1.0,92.4646453857422,1.45464694499969,3.0708,2.49477934837341,-1.18726825714111,3.10826730728149,12.2582035064697,0.988088190555573,9.16432857513428,0.0,95.3277969360352,4.76305818557739,-0.931849837303162,344.789306640625,8.52832508087158,244.767074584961,0.804948806762695,10.0,1196.60095214844,10.9171991348267,0.139660641551018,3.0,37.3346977233887,704.0,1.39180076122284,2.97610688209534,0.431539624929428,1.88547956943512,0.97000002861023,0.0,1.98734414577484,7.0,157.68,9.0,12.4592590332031,0.151374712586403,257.533813476562,0.0,24.0,1.42381393909454,0.0,8.6982250213623,0.234116762876511,-18.776611328125,-893.778259277344,15.658763885498,0.0422115363180637,0.0964939370751381,2458.36645507812,93.167,195.555572509766,0.827982544898987,-50.6829605102539,8.6140718460083,1.8318430185318,0.0361295826733112,108.884902954102,0.880033791065216,6.05782175064087,0.0562153607606888,1.0,0.120112083852291,3.0,0.308357000350952,3.87954211235046,0.101156875491142,2.63299870491028,2.77222490310669,1.57254135608673
InChI%3D1S%2FC23H19ClF3NO3%2Fc1-22%282%2917%2812-19%2824%2923%2825%2C26%2927%2920%2822%2921%2829%2931-18%2813-28%2914-7-6-10-16%2811-14%2930-15-8-4-3-5-9-15%2Fh3-12%2C17-18%2C20H%2C1-2H3,0.432591557502747,1.15254080295563,17.0171699523926,4.0,7.59643507003784,13.0,430.703988075256,0.795570850372314,0.59084278345108,0.0,0.237732008099556,1.93378865718842,45.9022827148438,-0.31004136800766,4.0169563293457,383.822875976562,1809.13952636719,1.2850182056427,38.523738861084,-899.699096679688,2135.46630859375,1.98030734062195,11.066424369812,59.7523536682129,-61.849437713623,2785.6416015625,64.0767974853516,2722.4501953125,53.4645805358887,0.200000002980232,8.0,0.448732554912567,0.0,1774.07995605469,1.05185043811798,34.9688529968262,10.5081216159933,0.0321753323078156,6.11862643080125,2.62408518791199,2581.1298828125,3.7276782989502,3.92319989204407,11.8500003814697,0.204429134726524,0.5,217.53271484375,0.418928056955338,3.10999989509583,509.907043457031,0.551267445087433,4.0,15.5976819992065,3.6721932888031,59.3199996948242,-1.29219722747803,30.2499332427979,0.0,-0.0888315513730049,0.977823317050934,1.0,7.99652194976807,0.242424242424242,553.92041015625,6.24100828170776,0.236053138971329,0.0,73.6214141845703,0.813556492328644,6.54398,2.86434149742126,-0.402275860309601,12.9015808105469,10.1149215698242,-0.0640037804841995,18.8104515075684,0.0,119.27449798584,6.26239585876465,0.162132665514946,312.432403564453,7.57810211181641,176.601959228516,-0.106892615556717,8.0,732.3564453125,9.41362380981445,0.113637506961823,2.0,22.4022445678711,802.0,2.65281128883362,3.82022762298584,0.488371223211288,2.64596772193909,4.05800008773804,0.496193736791611,2.83434271812439,7.0,59.32,3.0,10.5081214904785,1.08287715911865,267.238708496094,0.407229274511337,13.0,0.0,0.0,6.53333330154419,1.33655846118927,-71.3904647827148,-626.420227050781,17.4452991485596,0.549978196620941,0.13219778239727,1632.05554199219,108.156,142.334869384766,1.72739160060883,-43.0629959106445,9.79046726226807,0.534522473812103,0.180165395140648,84.2516860961914,0.926299393177032,8.17801570892334,0.551956474781036,0.0,0.283230572938919,1.0,0.377718895673752,5.42592525482178,0.184516087174416,3.28058481216431,15.3914985656738,2.18721675872803
InChI%3D1S%2FC6H4Cl2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H,0.120973698794842,0.125988155603409,4.60770845413208,0.0,0.333333343267441,6.0,142.971996307373,1.0,0.0,0.0,0.167722433805466,6.19980067284587e-10,23.4255065917969,-0.178569987416267,2.04138422012329,198.113418579102,452.600219726562,1.55406677722931,11.9034748077393,-79.6290283203125,480.79052734375,23.0271263122559,2.56632423400879,17.8069496154785,-20.4382591247559,564.630737304688,14.8069496154785,375.508026123047,5.90347480773926,0.0,0.0,0.430946290493011,0.887745141983032,88.0199966430664,0.173213079571724,34.9701538085938,2.52,0.028698293492198,1.8,0.0,101.468994140625,0.0,2.14079999923706,11.9985628128052,0.0,0.400000005960464,52.2329330444336,0.406333029270172,1.89999997615814,20.994327545166,0.569053709506989,2.0,3.47838234901428,0.577350258827209,0.0,-0.228723496198654,5.21282815933228,0.0,-0.0587061084806919,0.0,0.666666686534882,1.4267463684082,0.0,348.145385742188,1.30473780632019,0.443036764860153,0.0,5.238853931427,0.0509229935705662,2.9934,0.0,-0.0152897946536541,3.30192732810974,8.44905281066895,-0.00233003846369684,5.65685415267944,0.0,40.3881988525391,0.81649661064148,-0.00136178592219949,150.031967163086,0.760079681873322,9.84656238555908,-0.0231314580887556,0.0,60.3033332824707,1.13807117938995,1.34552799457843e-10,0.0,9.99117755889893,58.0,0.436435788869858,6.00330066680908,0.525152504444122,0.344206035137177,1.97000002861023,0.0,0.499412149190903,0.0,0.0,0.0,2.51999998092651,0.0833333358168602,68.9722671508789,0.0,6.0,0.0,0.0,1.79999995231628,0.16666667163372,-48.0814552307129,-27.7224788665771,5.57718801498413,0.0277777779847383,0.324440598487854,139.932357788086,36.462,0.0,0.377964466810226,-7.11548566818237,2.95526051521301,0.0,0.0,30.4294376373291,0.551628649234772,2.30930733680725,0.0629940778017044,0.0,0.0,0.0,0.622581303119659,1.30749583244324,0.180951297283173,0.681525647640228,4.58302450180054,0.59917026758194
InChI%3D1S%2FC9H7Cl3O3%2Fc1-4%289%2813%2914%2915-8-3-6%2811%295%2810%292-7%288%2912%2Fh2-4H%2C1H3%2C%28H%2C13%2C14%29,0.307406902313232,0.445324182510376,9.40437698364258,2.0,5.79836463928223,6.0,262.454993247986,0.751785159111023,0.17229925096035,0.0,0.270936876535416,1.0412654876709,40.4616661071777,-0.348562806844711,1.83099579811096,308.0732421875,930.577270507812,1.33988893032074,22.1835803985596,-414.636505126953,1047.67028808594,0.461048513650894,6.53211498260498,35.4774436950684,-51.4238128662109,1391.07458496094,46.2324714660645,1304.79309082031,34.4479637145996,0.0,3.0,0.33888441324234,0.323400378227234,274.059997558594,0.456105321645737,34.9708557128906,5.36507936507936,0.0263435188680887,3.5,0.447213590145111,897.978942871094,2.00414514541626,1.56299996376038,11.9962692260742,0.248214825987816,0.5,73.5876159667969,0.569076597690582,1.78999996185303,99.041748046875,0.66111558675766,3.0,5.72040748596191,1.44280898571014,46.5299987792969,-0.889797031879425,11.786449432373,0.0,-0.110353901982307,0.520220041275024,1.0,3.03159093856812,0.2,350.324371337891,2.52105569839478,0.194696143269539,0.0,20.6684951782227,0.447163045406342,2.164,0.699505209922791,-0.157512053847313,0.333333343267441,9.89486026763916,-0.194338232278824,6.03235626220703,0.0,62.492000579834,3.19981026649475,0.164240017533302,157.916732788086,2.98479056358337,42.5266914367676,-0.00204457435756922,3.0,212.540512084961,4.72616195678711,0.110721372067928,1.0,12.2758159637451,181.0,1.36522090435028,4.02648639678955,0.402210891246796,1.24924266338348,2.6949999332428,0.0,1.73380899429321,6.0,49.36,2.0,5.36507940292358,0.0555555559694767,143.559051513672,0.0,7.0,0.5,0.0,3.5,0.205950379371643,-150.156509399414,-193.216461181641,9.89744091033936,0.020833333954215,0.245290100574493,627.177001953125,57.2555,115.665618896484,0.720471560955048,-23.9629802703857,5.08912324905396,0.666666686534882,0.0,63.6996269226074,0.893836438655853,4.01665639877319,0.0793735086917877,1.0,0.167235270142555,1.0,0.368601471185684,2.64384078979492,0.214238375425339,1.41685914993286,2.44296908378601,1.00280737876892
InChI%3D1S%2FC19H17ClN2O4%2Fc1-3-24-19%2823%2912%282%2925-14-5-7-15%288-6-14%2926-18-11-21-17-10-13%2820%294-9-16%2817%2922-18%2Fh4-12H%2C3H2%2C1-2H3,0.291034936904907,0.746604859828949,25.9790821075439,6.0,5.95735359191895,12.0,355.671991348267,0.843656480312347,0.442419350147247,0.0,0.388738453388214,1.44134068489075,37.5306053161621,-0.332375556230545,2.41262340545654,288.038116455078,1497.61169433594,1.40132713317871,32.9411239624023,-593.681091308594,1709.32800292969,0.959405541419983,22.1251182556152,47.5494422912598,-41.1119918823242,2289.68432617188,47.8535308837891,2235.75927734375,39.8816719055176,0.608220219612122,7.0,0.579306960105896,0.18643781542778,1375.06994628906,1.1940211057663,34.9688529968262,9.97229916897507,0.0319631509482861,5.9972838388411,2.49999976158142,1836.17663574219,2.48815250396729,1.98339998722076,11.9882946014404,0.156343519687653,0.470588237047195,271.567626953125,0.57848584651947,2.77999997138977,559.733459472656,0.420693039894104,1.0,14.9836921691895,1.7057853937149,,-0.867098808288574,28.3505191802979,0.333333343267441,-0.0600459724664688,0.25,0.888888895511627,7.10737991333008,0.25,577.630676269531,5.91156578063965,0.0928679257631302,0.0,88.7468185424805,0.740772068500519,4.4059,2.8011519908905,-0.395265847444534,7.44107437133789,9.15907955169678,-0.152308851480484,17.6330165863037,0.0,106.148002624512,3.5709273815155,0.277015149593353,396.637145996094,4.87999296188354,191.6640625,-0.149510130286217,7.0,817.516723632812,6.86026287078857,0.055480819195509,3.0,21.8843784332275,710.0,1.03859579563141,4.40750312805176,0.412306785583496,1.22557258605957,2.60599994659424,0.0,1.36988759040833,8.0,70.54,4.0,9.97229957580566,0.219416096806526,197.212554931641,0.0,18.0,0.0,0.0,5.99728393554688,0.426455110311508,108.599021911621,-406.478759765625,15.0645732879639,0.0662677958607674,0.161188200116158,1411.19775390625,97.787,107.044540405273,0.672832727432251,-28.1483631134033,8.46217250823975,0.825481832027435,0.0,62.9963684082031,0.911017060279846,5.86330652236938,0.094033494591713,0.0,0.0363085232675076,1.0,0.4105344414711,3.6948127746582,0.141150578856468,2.40124607086182,3.9338755607605,1.60073208808899
InChI%3D1S%2FC6H13N%2Fc7-6-4-2-1-3-5-6%2Fh6H%2C1-5%2C7H2,0.055537972599268,0.117851130664349,4.82836103439331,0.0,0.0,0.0,86.072998046875,0.958491146564484,0.0,0.0,0.148187384009361,0.676625669002533,7.35998821258545,-0.327500313520432,1.58827877044678,54.2990913391113,327.382263183594,1.35428524017334,7.16618537902832,-30.3963985443115,338.857635498047,8.25304126739502,2.56345653533936,8.33237075805664,-6.68584012985229,374.345489501953,5.33237028121948,222.997207641602,1.16618525981903,0.0,0.0,0.840236961841583,5.97405433654785,358.010009765625,0.470361024141312,14.003077507019,2.34375,0.0391351692378521,1.5,0.0,36.6865196228027,0.0,-2.24029994010925,11.8999996185303,0.0415088310837746,0.25,97.0586166381836,0.47168442606926,2.00999999046326,54.3330001831055,0.159763067960739,0.0,4.52063608169556,0.288675129413605,26.0200004577637,-0.0894346833229065,13.5516910552979,0.0,-0.01967160589993,0.0,0.333333343267441,1.30671286582947,0.0,325.764892578125,0.901047587394714,0.328947812318802,0.0,6.88065385818481,0.0269772820174694,0.561,0.0,-0.00865923427045345,6.08364343643188,7.64375829696655,-0.00447217142209411,3.04182171821594,0.0,22.17799949646,0.40824830532074,-0.000343292398611084,285.573516845703,0.433012694120407,14.463885307312,-1.39431194838835e-05,0.0,159.862838745117,0.40824830532074,0.140135675668716,0.0,13.3009719848633,45.0,0.235702261328697,5.47937107086182,0.48867866396904,0.25,1.26199996471405,0.0,0.235702261328697,0.0,27.64,1.0,2.34375,0.102062076330185,18.4547748565674,0.0,0.0,0.0,0.0,1.5,0.102062076330185,231.274429321289,-10.3309030532837,4.69023466110229,0.102062076330185,0.58500200510025,190.259231567383,31.8951,14.1077146530151,0.16666667163372,-2.27233409881592,3.14982986450195,0.0,0.0,19.9868125915527,0.473668783903122,2.39809012413025,0.0589255653321743,0.0,0.0,0.0,0.393922209739685,1.64982986450195,0.211803749203682,1.13416683673859,5.01894426345825,0.779039084911346
InChI%3D1S%2FC7H10N2O4S%2Fc1-5-4-6%288%292-3-7%285%299-13-14%2810%2C11%2912%2Fh2-4%2C9H%2C8H2%2C1H3%2C%28H%2C10%2C11%2C12%29,0.431815057992935,0.313660830259323,9.07862377166748,5.0,1.65096366405487,5.0,208.153997421265,0.813399314880371,0.0884123668074608,0.0,0.21805477142334,0.893273949623108,23.9456043243408,-0.302514046430588,2.51962542533875,210.191192626953,789.323608398438,1.2668616771698,25.1114349365234,-292.763366699219,859.956176757812,8.22414779663086,5.66572427749634,27.7571105957031,-37.5072784423828,1144.84313964844,20.8252925872803,945.917175292969,17.8306789398193,0.0,3.0,0.541985392570496,0.657947182655334,394.070007324219,0.754900693893433,31.9728298187256,4.68,0.0481382124125957,4.38781163434903,1.04004192352295,681.85009765625,1.65096366405487,-0.723200023174286,11.9989995956421,0.186600655317307,0.5,114.145294189453,0.466249287128448,1.46000003814697,158.98649597168,0.458014577627182,0.0,10.1381883621216,2.25170421600342,110.029998779297,-0.637942492961884,18.0040702819824,0.0,-0.0817297846078873,0.117851130664349,1.0,2.77535319328308,0.214285714285714,373.28369140625,2.10221409797668,0.277533859014511,0.0,21.5872631072998,0.298336118459702,1.4617,0.472422391176224,-0.236037582159042,1.65096366405487,9.33657169342041,0.0752434656023979,5.85380077362061,0.0,53.6848983764648,2.110426902771,0.0536388121545315,248.726928710938,2.52277731895447,43.4178199768066,-0.0475464202463627,3.0,346.437622070312,3.0443069934845,0.0983931049704552,1.0,22.0914974212646,170.0,0.610434114933014,5.70984888076782,0.438209235668182,0.623062372207642,-1.09800004959106,0.0,0.652079582214355,6.0,112.86,4.0,4.67999982833862,0.0680413842201233,96.460548400879,0.0,13.0,1.5,0.0,4.3878116607666,0.184195280075073,38.5357322692871,-134.354415893555,7.84846973419189,0.0240562614053488,0.217134490609169,639.200988769531,50.0405,85.6344223022461,0.565622448921204,-17.2127685546875,4.43060493469238,1.5,0.0263853166252375,59.5987739562988,0.846672356128693,3.26190948486328,0.0499732792377472,1.0,0.0416666679084301,2.0,0.362403154373169,1.67259275913239,0.2974873483181,1.00856387615204,0.52301824092865,0.623534619808197
InChI%3D1S%2FC10H10O4%2Fc1-13-9%2811%297-3-5-8%286-4-7%2910%2812%2914-2%2Fh3-6H%2C1-2H3,0.294023841619492,0.270205736160278,11.5567283630371,4.0,2.40685200691223,4.0,184.105995178223,0.714206159114838,0.146443098783493,0.0,0.350920259952545,1.01514434814453,17.0978755950928,-0.346040546894073,1.2820211648941,160.349868774414,627.04638671875,1.36597895622253,15.9925518035889,-215.2841796875,694.000244140625,5.02672290802002,9.25956249237061,20.8773059844971,-36.1785125732422,883.712585449219,22.3209190368652,839.52197265625,16.6567363739014,0.142857149243355,4.0,0.649777293205261,1.22829222679138,394.040008544922,0.87238472700119,15.9992876052856,5.77777777777778,0.039303932338953,3.27272727272727,1.78885436058044,574.790283203125,2.00788974761963,1.03460001945496,11.9962491989136,0.285793840885162,0.444444447755814,136.211288452148,0.557801902294159,2.11999988555908,182.875961303711,0.350222706794739,0.0,8.23919105529785,0.804737865924835,52.5999984741211,-0.470205634832382,16.6800708770752,0.0,-0.0790180712938309,0.235702261328697,0.800000011920929,2.94971776008606,0.285714285714286,327.000091552734,2.01174688339233,0.110932879149914,0.0,22.5721836090088,0.560497939586639,1.2598,1.00191926956177,-0.398015141487122,3.30192732810974,8.45853328704834,0.200271517038345,8.59655952453613,0.0,52.4924011230469,2.17851138114929,-0.0743746683001518,297.501251220703,2.61734342575073,46.1796455383301,0.0291616916656494,4.0,399.422332763672,2.65258955955505,0.0878401175141335,2.0,17.9953498840332,184.0,0.50809121131897,4.41722249984741,0.381644994020462,0.528737425804138,0.523999989032745,0.0,0.459544599056244,4.0,52.6,4.0,5.77777767181396,0.0833333358168602,73.4163665771484,0.0,12.0,0.142857149243355,0.0,3.27272725105286,0.096225045621395,137.151397705078,-98.5681076049805,7.9423942565918,0.0277777779847383,0.234716936945915,614.706481933594,49.121,130.851028442383,0.25,-16.5643730163574,3.9543604850769,1.06904494762421,0.0,54.1738624572754,0.784767091274261,2.56051349639893,0.0277777779847383,0.0,0.0277777779847383,2.0,0.426532059907913,1.72709548473358,0.218195930123329,0.978095650672913,1.07039713859558,0.57672393321991
InChI%3D1S%2FC15H10ClF3N2O6S%2Fc1-28%2825%2C26%2920-14%2822%2910-7-9%283-4-12%2810%2921%2823%2924%2927-13-5-2-8%286-11%2813%2916%2915%2817%2C18%2919%2Fh2-7H%2C1H3%2C%28H%2C20%2C22%29,,0.81821471452713,17.2295227050781,7.0,6.48384094238281,10.0,428.686990737915,0.828128576278687,0.467776983976364,0.0,0.225110158324242,1.06287026405334,51.7134284973145,,5.25209045410156,410.268524169922,1668.76000976562,1.24107468128204,44.0287208557129,-923.223266601562,1928.88525390625,3.98396849632263,10.9145612716675,62.6876525878906,-63.3061447143555,2724.533203125,62.3683853149414,2691.50561523438,63.2957305908203,0.0,6.0,0.392662227153778,0.0,765.130004882812,0.883603990077972,,9.42768595041322,0.0310362260788679,7.0387338608913,0.792028784751892,2528.32861328125,1.16361248493195,0.591000020503998,,0.171871408820152,0.461538463830948,179.182220458984,0.528931736946106,1.67999994754791,403.212005615234,0.607337772846222,4.0,14.162654876709,4.51871728897095,118.480003356934,-1.36668634414673,25.929069519043,0.0,-0.0937147587537766,0.838727176189423,0.857142865657806,7.15690565109253,0.206896551724138,559.4169921875,5.58405637741089,0.304830878973007,1.0,74.5073165893555,0.753110826015472,5.9275,2.74849605560303,-0.371339350938797,4.52188587188721,,0.121464982628822,14.4383792877197,0.0,39.1697998046875,5.68117904663086,-0.0368135124444962,265.2509765625,8.07079792022705,152.665100097656,-0.245803594589233,6.0,596.891723632812,10.8452682495117,0.0616889037191868,1.0,20.965576171875,588.0,1.48486232757568,,0.42935174703598,1.75102126598358,4.98600006103516,0.0,1.94033169746399,7.0,130.16,4.0,9.42768573760986,0.136082768440247,277.144378662109,0.0,22.0,2.19557762145996,0.0,7.038733959198,0.276854544878006,-145.017532348633,-623.655334472656,14.9818801879883,0.0481125228106976,0.152720645070076,1520.11499023438,95.8458,116.102493286133,1.25786304473877,-42.7645378112793,8.51706409454346,0.812599003314972,0.0781292915344238,84.2717208862305,0.832851707935333,6.66270399093628,0.0817336365580559,1.0,0.118116065859795,4.0,0.282791167497635,3.72386336326599,0.185181498527527,2.46102857589722,0.349281013011932,1.58153247833252
InChI%3D1S%2FC25H28O3%2Fc1-4-27-22-15-13-21%2814-16-22%2925%282%2C3%2919-26-18-20-9-8-12-24%2817-20%2928-23-10-6-5-7-11-23%2Fh5-17H%2C4%2C18-19H2%2C1-3H3,0.106190234422684,1.02273321151733,17.3097629547119,3.0,1.9222846031189,16.0,348.271990776062,0.94733464717865,0.603829324245453,0.0,0.10018889605999,1.90658903121948,30.3234062194824,-0.375221908092499,7.32092523574829,191.815383911133,1737.19714355469,1.4612934589386,31.9925518035889,-350.678924560547,1961.212890625,1.04595768451691,8.08224964141846,42.988826751709,-18.5817260742188,2588.88305664062,42.6530113220215,2489.35864257812,36.6567344665527,0.400594353675842,9.0,0.710432469844818,0.126858130097389,2608.03002929688,1.29882025718689,15.9969339370728,11.4075,0.0345606654882431,7.33506944444444,7.11540079116821,2123.67895507812,2.53436899185181,3.30640006065369,11.8500003814697,0.0526653751730919,0.5,311.738128662109,0.59154087305069,3.88000011444092,569.922973632812,0.289567530155182,0.0,15.1652383804321,2.01131105422974,27.6900005340576,-0.529390454292297,36.357795715332,0.0,-0.0280512664467096,0.348461717367172,1.0,7.46414279937744,0.3,627.533569335938,5.6310772895813,0.422936171293259,0.0,88.5370712280273,0.433087289333344,6.37200000000001,2.59251117706299,-0.223544538021088,21.7277736663818,10.6052083969116,-0.0238341130316257,18.0246696472168,0.0,126.307197570801,3.74524021148682,0.0377779640257359,470.604827880859,5.30019283294678,218.658828735352,-0.0549494549632072,9.0,860.36474609375,5.92872953414917,0.110145293176174,3.0,22.8936824798584,814.0,1.82908844947815,4.95053386688232,0.510477066040039,2.1013240814209,3.38899993896484,0.0,1.89715969562531,6.0,27.69,1.0,11.4075002670288,0.268728733062744,127.062385559082,0.0,13.0,0.0,0.0,7.33506965637207,0.290612131357193,278.789428710938,-232.296798706055,16.8516178131104,0.087630569934845,0.20518159866333,1211.04370117188,113.251,34.8866081237793,1.36241543292999,-12.308910369873,9.69602966308594,0.0,0.176776692271233,41.4754066467285,0.652463972568512,7.39659214019775,0.0693057775497437,0.0,0.201184466481209,0.0,0.359275549650192,4.55578422546387,0.0453237965703011,2.99976396560669,10.9322805404663,1.84432637691498
InChI%3D1S%2FC6H4Cl2N2O2%2Fc7-4-1-3%2810%2811%2912%292-5%288%296%284%299%2Fh1-2H%2C9H2,,0.284130305051804,6.79102659225464,3.0,3.53277564048767,6.0,202.983995437622,0.949452698230743,0.0723724663257599,0.0,0.268949657678604,0.00563495839014649,29.6944217681885,,2.08645701408386,257.677154541016,671.283203125,1.17938494682312,17.3427772521973,-211.156814575195,759.587097167969,6.68780517578125,4.69893455505371,26.910343170166,-33.4108238220215,1009.60852050781,31.6846027374268,904.378234863281,29.1615123748779,0.0,1.0,0.289011776447296,1.05066609382629,124.059997558594,0.236834362149239,,3.80622837370242,0.0280558075755835,2.25,0.0,485.589569091797,0.0,0.692099988460541,,0.0505473054945469,0.333333343267441,37.9614295959473,0.522874414920807,1.46000003814697,31.1079730987549,0.710988223552704,2.0,3.68510437011719,1.16385459899902,60.1599998474121,-0.582628309726715,5.80882787704468,0.0,-0.0921878442168236,0.438832193613052,0.5,2.58578085899353,0.0833333333333333,344.101715087891,1.98182582855225,0.307237356901169,0.0,9.842360496521,0.135993793606758,3.007,0.420854866504669,0.000715754518751055,0.5,,-0.0212455000728369,5.11154460906982,0.0,18.3390998840332,2.66998910903931,-0.033577099442482,104.74397277832,2.97765898704529,16.6886329650879,-0.0715056657791138,1.0,85.8337783813477,4.23471641540527,0.000829765340313315,0.0,10.1680173873901,110.0,0.94173264503479,,0.432334750890732,1.09986865520477,1.84500002861023,0.0,1.14176058769226,2.0,71.84,1.0,3.80622839927673,0.0555555559694767,93.3876495361328,0.0,10.0,0.5,0.0,2.25,0.198741674423218,-152.933181762695,-76.5276947021484,7.26354789733887,0.020833333954215,0.365066587924957,296.990600585938,49.6964,18.3194122314453,0.511299014091492,-12.1087884902954,3.66602420806885,0.0,0.0,43.5788421630859,0.563072204589844,2.89460110664368,0.0685906410217285,0.0,0.106913715600967,2.0,0.224175781011581,1.90005350112915,0.15909019112587,1.15187275409698,0.479002416133881,0.591205477714539
InChI%3D1S%2FC16H18N4O7S%2Fc1-25-12-8-13%2826-2%2918-15%2817-12%2919-16%2822%2920-28%2823%2C24%299-10-6-4-5-7-11%2810%2914%2821%2927-3%2Fh4-8H%2C9H2%2C1-3H3%2C%28H2%2C17%2C18%2C19%2C20%2C22%29,0.293409645557404,0.9185471534729,18.5582675933838,11.0,5.03232908248901,5.0,392.263993263245,0.709765195846558,0.492772251367569,0.0,0.210624143481255,2.73854231834412,40.9889869689941,-0.361758947372437,4.42187738418579,236.054000854492,1740.57543945312,1.33257555961609,41.7160797119141,-693.3134765625,1979.82788085938,3.24249601364136,11.3978481292725,52.1403656005859,-51.1926116943359,2709.419921875,55.3205757141113,2685.04223632812,61.4680061340332,0.360562384128571,9.0,0.637927353382111,0.0188397988677025,1453.11999511719,1.87365460395813,31.9720726013184,11.4075,0.0492659956216812,7.65052059755546,2.30076956748962,2642.88720703125,3.53539276123047,0.284000009298325,11.9961776733398,0.29023477435112,0.5,271.145599365234,0.493772774934769,1.89999997615814,796.380981445312,0.362072616815567,0.0,20.940092086792,2.64660596847534,,-1.06344246864319,37.4797248840332,2.38110160827637,-0.0785220488905907,0.164266422390938,1.0,7.49246788024902,0.310344827586207,462.73291015625,5.39859533309937,0.238269940018654,1.0,93.7228698730469,1.06620156764984,2.0263,2.25767683982849,-0.779549896717072,4.39190816879272,11.2917013168335,0.59689736366272,9.80857467651367,0.0,99.480598449707,4.00450420379639,-0.703916966915131,415.898071289062,7.04836750030518,250.303359985352,0.746209442615509,9.0,1221.53295898438,8.68505859375,0.147564545273781,3.0,32.119068145752,633.0,1.22102105617523,4.7809944152832,0.481676995754242,1.68742859363556,-0.254999995231628,0.0,1.77934956550598,8.0,157.68,9.0,11.4075002670288,0.151374712586403,153.895904541016,0.0,15.0,1.31037068367004,0.0,7.65052080154419,0.251375645399094,179.84407043457,-452.007171630859,15.699312210083,0.0422115363180637,0.113970197737217,1914.84643554688,98.445,189.219177246094,0.840790271759033,-33.375129699707,8.61942958831787,1.73205077648163,0.0510949455201626,83.3116760253906,0.74068409204483,6.16586446762085,0.0517708286643028,1.0,0.041490912437439,3.0,0.357125788927078,3.97224426269531,0.0998442396521568,2.69823408126831,0.080655999481678,1.69896376132965
InChI%3D1S%2FCClN%2Fc2-1-3,0.302242338657379,0.0,1.26302242279053,1.0,0.0,0.0,61.4709987640381,0.384909212589264,0.0,0.0,0.5,-2.21123311011104e-17,11.0727415084839,-0.235854759812355,7.78171069248934e-11,145.979339599609,47.3094863891602,105295536128.0,4.11792278289795,-38.8036727905273,32.8861351013184,55.1910171508789,1.26302242279053,3.44227266311646,-17.1811599731445,13.36851978302,0.0,0.0,0.0,0.0,0.0,0.329295694828033,71.6714782714844,2.01999998092651,0.0875321328639984,34.9693794250488,2.0,0.0875321328639984,0.0,0.0,0.0,0.0,0.620500028133392,11.999472618103,0.615090787410736,0.5,15.5993556976318,0.666666686534882,1.35000002384186,4.14656162261963,0.670704305171967,1.0,4.14656162261963,0.0,23.7900009155273,-0.178284078836441,1.08000004291534,0.0,-0.0789391025900841,0.0,1.0,0.0,0.0,83.7758026123047,0.0,6.16118198126792e-11,0.0,9.82847206398851e-11,0.127181217074394,0.70628,0.0,-0.0706582590937614,0.0,4.73336553573608,0.00706765288487077,0.0,0.0,12.7918996810913,0.0,0.0,71.6714782714844,0.0,1.26302242279053,0.0,0.0,19.051441192627,0.0,-1.75074745336706e-17,0.0,19.051441192627,6.0,0.0,3.54049777984619,0.666667342185974,0.0,0.426999986171722,0.0,0.0,3.0,23.79,1.0,2.0,0.0,31.7725219726562,0.0,2.0,0.0,0.0,0.0,0.0,-74.307861328125,-8.44565105438232,2.08110690116882,0.0,0.887264966964722,57.8551139831543,11.466,133.875015258789,0.0,-3.73949337005615,0.790553510189056,0.0,0.0,36.2326011657715,0.735851228237152,0.253546267747879,0.0,0.0,0.0,0.0,105295536128.0,0.0,1.0,0.0,0.38502025604248,0.0
InChI%3D1S%2FC15H12F2N3Si%2Fc16-12-1-5-14%286-2-12%2921%2811-20-10-18-9-19-20%2915-7-3-13%2817%294-8-15%2Fh1-10H%2C11H2,0.181712776422501,2.2895667552948,,3.0,1.53261888027191,5.0,288.267993927002,,1.40211200714111,0.0,,,29.5519638061523,-0.239387154579163,,,1149.76879882812,,29.3695545196533,,1334.36315917969,,,41.6260566711426,,1803.46496582031,39.2444381713867,1728.79504394531,33.9027099609375,0.0,3.0,,,876.059997558594,,27.9769287109375,7.51300728407908,,4.2603550295858,0.0,1592.57690429688,0.0,1.63359999656677,11.8999996185303,,0.5,,,2.45000004768372,,,2.0,,1.25089049339294,,,30.7776908874512,0.5,,0.136082768440247,1.0,5.82879686355591,0.130434782608696,,4.62664175033569,,0.0,,0.344862997531891,1.843,2.17678999900818,-0.186039105057716,14.3924131393433,10.3167581558228,0.0073405560106039,14.4207906723022,0.0,36.8516998291016,2.58604741096497,0.00651648081839085,,3.69925904273987,,0.0237545687705278,3.0,,5.05335521697998,,0.0,,346.0,2.27472257614136,4.02684164047241,,3.15866279602051,2.89199995994568,0.144337564706802,3.89306855201721,2.0,30.71,3.0,7.51300716400146,0.268728733062744,,0.0298142395913601,12.0,0.0,0.0,4.26035499572754,0.321817278862,,,12.1555290222168,0.0809346437454224,,,74.0632,,0.98254805803299,,8.24893474578857,0.0,0.0,,,7.12454414367676,0.144024193286896,0.0,0.176776692271233,0.0,,5.94784021377563,,4.53839540481567,2.66864895820618,3.46967554092407
InChI%3D1S%2FC8H8%2Fc1-2-8-6-4-3-5-7-8%2Fh2-7H%2C1H2,0.0922131165862083,0.0823979601264,6.20779895782471,0.0,0.0,6.0,96.0879974365234,1.0,0.0261891391128302,0.0,0.278832048177719,1.1924372600447e-09,8.0,-0.207942187786102,1.83062148094177,156.677185058594,387.989349365234,1.37121951580048,8.0,-75.0106353759766,404.009490966797,4.93143606185913,4.37717723846436,9.0,-10.1572141647339,453.287109375,7.0,327.250152587891,3.0,0.0,1.0,0.560819566249847,1.80908608436584,200.0,0.268497496843338,12.1500825881958,3.11111111111111,0.0333030298352242,1.8,2.00414514541626,119.919326782227,0.5,1.91530001163483,11.8500003814697,0.0,0.400000005960464,71.3754119873047,0.523338437080383,2.33999991416931,34.1716346740723,0.439180463552475,0.0,4.23847103118896,0.20412415266037,0.0,-0.210261672735214,8.74565601348877,0.0,-0.0284716002643108,0.0,0.666666686534882,1.59538793563843,0.125,356.748992919922,1.10517168045044,0.294890582561493,0.0,8.01295471191406,0.0,2.3296,0.144337564706802,0.0,7.73231601715088,8.29837989807129,0.0,3.96540641784668,0.0,39.8829002380371,0.492799282073975,0.0,200.071807861328,0.594861328601837,14.2207536697388,0.0,1.0,95.7862167358398,0.492799282073975,1.92086971328997e-10,0.0,11.8808212280273,60.0,0.179152488708496,5.47908926010132,0.502701938152313,0.174792468547821,2.93700003623962,0.0,0.119434997439384,2.0,0.0,0.0,3.11111116409302,0.102062076330185,55.8944244384766,0.0,8.0,0.0,0.0,1.79999995231628,0.0721687823534012,43.3946228027344,-26.7599697113037,4.67120838165283,0.0320750139653683,0.20497927069664,170.796859741211,36.533,0.0,0.096225045621395,-3.62357592582703,2.60760712623596,0.0,0.0,22.0380363464355,0.864949405193329,1.6148077249527,0.0185185186564922,0.0,0.0,0.0,0.345179170370102,1.03527474403381,0.130218967795372,0.589121699333191,3.66837406158447,0.335167527198792
InChI%3D1S%2FC16H22ClNO3%2Fc1-4-12-8-7-9-13%285-2%2916%2812%2918%2814%2819%2910-17%2911-15%2820%2921-6-3%2Fh7-9H%2C4-6%2C10-11H2%2C1-3H3,0.276655465364456,0.910751640796661,13.4474973678589,4.0,4.25141477584839,4.0,289.632992744446,0.87967723608017,0.45286962389946,0.0,0.157088667154312,2.28923511505127,31.3961486816406,-0.314977467060089,3.8591639995575,208.081680297852,1353.05261230469,1.09027850627899,24.7786617279053,-349.425476074219,1533.67407226562,3.0651638507843,7.2990984916687,32.2727813720703,-34.0290870666504,2049.28735351562,40.1422080993652,2320.94677734375,42.2249526977539,0.0,9.0,0.656920552253723,0.0932283326983452,1429.05004882812,1.10314738750458,34.9688529968262,9.9039780521262,0.0252335984259844,5.28979591836735,5.30713558197021,2265.66381835938,3.52267241477966,1.1467000246048,11.8900003433228,0.120322786271572,0.444444447755814,241.652389526367,0.371569633483887,2.67000007629395,405.799774169922,0.343079477548599,1.0,9.28234004974365,1.10490465164185,46.6100006103516,-0.576123297214508,30.2825546264648,0.0,-0.0561062395572662,0.252697080373764,0.800000011920929,5.21059322357178,0.428571428571429,533.534484863281,4.04826259613037,0.286980092525482,0.0,53.7123031616211,0.542907118797302,2.9463,1.52387678623199,-0.286323249340057,7.29205322265625,11.6478357315063,-0.0641415268182755,14.2187824249268,0.0,87.0075988769531,2.78817558288574,0.222382694482803,398.429931640625,4.64399576187134,131.643936157227,-0.224290192127228,9.0,669.071716308594,6.87403726577759,0.170235022902489,1.0,15.3044710159302,296.0,1.15230226516724,4.66649532318115,0.39959779381752,1.76410114765167,2.40100002288818,0.0,2.22228002548218,11.0,46.61,4.0,9.90397834777832,0.0680413842201233,126.203964233398,0.0,9.0,0.200000002980232,0.0,5.28979587554932,0.135508760809898,190.348251342773,-211.930603027344,13.5734367370605,0.0240562614053488,0.187507718801498,1018.49719238281,84.904,72.977165222168,0.462558060884476,-20.6390361785889,7.7458233833313,0.63245552778244,0.0,49.3335571289062,0.876177489757538,4.81777048110962,0.0447789765894413,0.0,0.088229551911354,2.0,0.31911113858223,3.47140550613403,0.164692342281342,2.40588784217834,1.3149209022522,1.60089433193207
InChI%3D1S%2FC12H15N3O2S%2Fc1-3-6-18-8-4-5-9-10%287-8%2914-11%2813-9%2915-12%2816%2917-2%2Fh4-5%2C7H%2C3%2C6H2%2C1-2H3%2C%28H2%2C13%2C14%2C15%2C16%29,0.2809077501297,1.05641639232635,19.874942779541,5.0,3.74492192268372,6.0,250.21799659729,0.810423791408539,0.691300928592682,0.0,0.345010787248611,0.764801263809204,26.7566547393799,-0.325772821903229,3.34240126609802,166.631683349609,1207.44067382812,1.48337006568909,24.3329582214355,-283.952941894531,1369.88317871094,4.55499649047852,15.7677402496338,33.6354637145996,-30.2399387359619,1816.08374023438,30.5012989044189,1636.10144042969,26.6618537902832,0.0,5.0,0.704155266284943,1.52376937866211,990.059997558594,1.19993364810944,31.9720726013184,6.9632,0.046659529209137,3.99583766909469,1.94455397129059,1359.87475585938,1.78201687335968,0.914699971675873,11.8500003814697,0.189576238393784,0.5,223.385971069336,0.571654319763184,2.11999988555908,380.66650390625,0.295844733715057,0.0,14.8022527694702,1.03025674819946,,-0.504141688346863,25.4205188751221,1.5,-0.0536892302334309,0.0833333358168602,1.0,4.6585807800293,0.263157894736842,456.463348388672,3.6934642791748,0.168171614408493,1.0,67.3175735473633,0.420452952384949,3.2569,1.99047183990479,-0.405461221933365,3.76916909217834,10.9915037155151,0.360099762678146,7.94180536270142,0.0,74.9352035522461,2.09335231781006,-0.304866284132004,396.608642578125,3.1781849861145,127.499160766602,0.23638890683651,5.0,675.851013183594,4.05087852478027,0.0384806767106056,1.0,26.2805271148682,326.0,0.842056930065155,4.54413080215454,0.424781233072281,1.13996815681458,3.28500008583069,0.096225045621395,1.31128811836243,5.0,95.8,5.0,6.96320009231567,0.272165536880493,93.8536758422852,0.0360843911767006,8.0,0.0,1.0,3.99583768844604,0.415355086326599,229.976959228516,-159.933731079102,11.2510347366333,0.0818603560328484,0.191090866923332,959.803894042969,73.8415,106.776977539062,0.453836262226105,-17.0323524475098,6.81867361068726,0.5,0.0,56.5204658508301,0.845387399196625,5.03118896484375,0.114694587886333,1.0,0.020833333954215,0.0,0.486934542655945,3.67008090019226,0.164804816246033,2.44198513031006,0.836676061153412,1.7319929599762
InChI%3D1S%2FC9H10Cl2N2O2%2Fc1-13%2815-2%299%2814%2912-6-3-4-7%2810%298%2811%295-6%2Fh3-5H%2C1-2H3%2C%28H%2C12%2C14%29,0.242324516177177,0.341015696525574,10.4437475204468,4.0,2.40685200691223,6.0,239.016994476318,0.835703730583191,0.161826550960541,0.0,0.299863338470459,1.13428437709808,32.6944198608398,-0.333910256624222,1.65261781215668,217.933837890625,867.3154296875,1.35780680179596,20.7858657836914,-282.205963134766,957.790771484375,8.99417400360107,7.6568455696106,30.4366092681885,-35.2772483825684,1227.57019042969,38.1765632629395,1122.13122558594,22.3388557434082,0.0,3.0,0.51792049407959,0.529518127441406,415.059997558594,0.670663356781006,34.970157623291,5.915,0.0341002941131592,3.8109640831758,1.03570473194122,770.507629394531,1.66633629798889,1.66999995708466,11.9985370635986,0.164296254515648,0.444444447755814,105.846160888672,0.539556205272675,1.78999996185303,137.06184387207,0.48207950592041,2.0,6.96899461746216,1.14693319797516,45.060001373291,-0.624252319335938,15.6680698394775,0.0,-0.078034870326519,0.333333343267441,0.800000011920929,3.03359055519104,0.2,377.796875,2.16881251335144,0.158239930868149,1.0,23.2134170532227,0.352709263563156,3.0321,0.785817086696625,-0.191585466265678,1.65096366405487,9.74935722351074,-0.0297609008848667,6.4474196434021,0.0,63.7058982849121,2.66405010223389,0.108924016356468,234.136489868164,2.79942178726196,48.0102157592773,-0.0737990215420723,3.0,303.18701171875,3.42391967773438,0.108608938753605,1.0,15.4157314300537,204.0,1.11230373382568,4.67842674255371,0.41830775141716,0.889656066894531,1.4210000038147,0.0,0.936864912509918,7.0,45.06,2.0,5.91499996185303,0.0680413842201233,98.5214233398438,0.0,11.0,0.0,0.0,3.81096410751343,0.184195280075073,16.2026405334473,-127.576934814453,9.74972629547119,0.0240562614053488,0.257811635732651,585.392944335938,60.9578,74.2734603881836,0.53787088394165,-15.9477977752686,4.80439043045044,0.333333343267441,0.0,50.6929817199707,0.837151050567627,3.50465774536133,0.0653127580881119,1.0,0.125400274991989,0.0,0.399942815303802,2.42682385444641,0.187083840370178,1.11445260047913,2.78889989852905,0.699345469474792
InChI%3D1S%2FC10H20O%2Fc1-7%282%299-5-4-8%283%296-10%289%2911%2Fh7-11H%2C4-6H2%2C1-3H3,0.0834553688764572,0.915320217609406,8.15064334869385,1.0,3.14734530448914,0.0,136.108996391296,0.890000581741333,0.174703046679497,0.0,0.251859337091446,1.00210154056549,11.7744693756104,-0.417630910873413,1.69457316398621,39.3704719543457,642.672729492188,1.34425663948059,11.3320922851562,-31.3813419342041,708.489624023438,9.80835151672363,5.45396900177002,15.6641836166382,-9.013108253479,915.533935546875,14.9962759017944,795.748779296875,11.3283681869507,0.0,1.0,0.896701753139496,5.79699420928955,851.010009765625,0.714741349220276,15.9979438781738,3.6,0.0342285186052322,2.21453287197232,2.88884544372559,469.149505615234,4.83966255187988,0.656300008296967,11.9962491989136,0.109999425709248,0.5,130.257690429688,0.507493555545807,2.45000004768372,103.825561523438,0.103298239409924,0.0,4.97214126586914,0.993793487548828,20.2299995422363,-0.0823367685079575,21.8641395568848,0.0,-0.0236481372267008,0.232307806611061,1.0,2.6792049407959,0.0909090909090909,339.20947265625,1.46274888515472,0.207906678318977,0.0,16.4057140350342,0.0752622708678246,2.4395,0.196418553590775,-0.0240425206720829,1.65096366405487,9.46119403839111,-0.0120851658284664,6.83080291748047,0.0,44.9238014221191,1.83847367763519,-0.00141777843236923,341.763519287109,2.72335362434387,33.817928314209,-8.63958412082866e-05,1.0,272.412231445312,2.77096581459045,0.122947536408901,0.0,13.0456514358521,95.0,1.52066850662231,5.44846248626709,0.380860984325409,1.88056206703186,3.21099996566772,0.0,1.93211650848389,3.0,20.23,1.0,3.59999990463257,0.0680413842201233,15.005425453186,0.0,0.0,0.0,0.0,2.21453285217285,0.175366476178169,302.39306640625,-11.9604969024658,7.87793493270874,0.0680413842201233,0.492011576890945,303.793579101562,47.3498,41.9245223999023,0.863500475883484,-3.43520212173462,4.78990936279297,0.0,0.0,22.0587596893311,0.769012808799744,4.39344358444214,0.137754127383232,1.0,0.179115906357765,0.0,0.455902129411697,2.98719000816345,0.263627767562866,2.15188241004944,0.430729687213898,1.3444105386734
InChI%3D1S%2FC9H11Cl3NO3PS%2Fc1-3-14-17%2818%2C15-4-2%2916-9-7%2811%295-6%2810%298%2812%2913-9%2Fh5H%2C3-4H2%2C1-2H3,0.299434274435043,1.00972270965576,13.6370410919189,5.0,3.30192732810974,3.0,339.502995491028,0.950908064842224,0.558323085308075,1.0,0.220616847276688,1.07250881195068,55.5998229980469,-0.309416651725769,4.00743722915649,251.577392578125,1099.60949707031,1.14019596576691,38.3745613098145,-380.502593994141,1237.93249511719,0.383282005786896,8.55709552764893,53.8121948242188,-30.0180988311768,1656.39868164062,63.9124336242676,1641.51721191406,60.8240852355957,1.5,6.0,0.599818050861359,1.25753450393677,535.090026855469,0.90720522403717,34.971061706543,6.9632,0.0361914448440075,4.56599286563615,1.83426427841187,1381.26000976562,1.24957597255707,3.70840001106262,11.9985370635986,0.0490919500589371,0.444444447755814,237.054260253906,0.454656988382339,1.46000003814697,358.536834716797,0.400181949138641,3.0,14.3032302856445,1.80055010318756,82.4800033569336,-0.605262100696564,26.6932773590088,0.0,-0.0477495230734348,0.284517794847488,0.800000011920929,4.40707874298096,0.333333333333333,597.795532226562,3.02868127822876,0.293864130973816,0.0,47.7675933837891,0.571382164955139,5.3687,1.007479429245,-0.443670034408569,0.57235711812973,9.89137744903564,0.329808801412582,3.48040437698364,1.0,79.4259033203125,3.35823965072632,-0.25175353884697,377.080139160156,4.78171539306641,98.1831283569336,0.0662044435739517,6.0,570.321411132812,6.22201204299927,0.0786467418074608,3.0,22.7520236968994,247.0,2.22813415527344,5.01833963394165,0.41608715057373,3.04332137107849,4.17500019073486,0.0,3.2469265460968,9.0,82.48,3.0,6.96320009231567,0.0555555559694767,158.156021118164,0.0,11.0,0.0,0.0,4.56599283218384,0.205950379371643,125.502746582031,-239.205810546875,13.6315879821777,0.0161374304443598,0.203916251659393,950.823974609375,77.658,30.862024307251,1.41261446475983,-18.8711032867432,8.70742702484131,0.0,0.111803397536278,52.7701225280762,0.892308473587036,7.02948188781738,0.0614824593067169,0.0,0.112873218953609,0.0,0.269451797008514,4.97243309020996,0.197927236557007,3.59452939033508,13.7522306442261,1.83714950084686
InChI%3D1S%2FC17H16F3NO2%2Fc1-11%282%2923-13-7-5-6-12%2810-13%2921-16%2822%2914-8-3-4-9-15%2814%2917%2818%2C19%2920%2Fh3-11H%2C1-2H3%2C%28H%2C21%2C22%29,0.437464028596878,0.56406170129776,17.5099544525146,3.0,4.75006055831909,10.0,307.185991287231,0.90172415971756,0.29854542016983,0.0,0.299006134271622,0.679190397262573,29.4150581359863,-0.344735622406006,4.01333427429199,268.000366210938,1224.83715820312,1.2705192565918,27.0740013122559,-492.835357666016,1398.60314941406,4.49398708343506,12.8174304962158,42.9639701843262,-35.269416809082,1875.19946289062,38.8159103393555,1855.22973632812,42.4468231201172,0.0,5.0,0.589225471019745,3.20463728904724,1094.06005859375,1.0835474729538,19.0012588500977,8.39273356401384,0.0382112488150597,5.78566732412886,2.34158778190613,1701.35424804688,2.70870018005371,2.43659996986389,11.9973917007446,0.0982758104801178,0.454545468091965,250.81022644043,0.552684843540192,2.67000007629395,461.223785400391,0.410774558782578,3.0,16.2650356292725,2.67215824127197,41.8199996948242,-0.755387842655182,24.336311340332,0.0,-0.0540588013827801,0.497890949249268,0.833333313465118,6.11358737945557,0.208333333333333,588.309143066406,4.64497089385986,0.229203000664711,1.0,62.8719253540039,0.534758746623993,5.1289,1.78992223739624,-0.315618097782135,7.73910045623779,9.71243476867676,0.0860730707645416,13.9592924118042,0.0,89.8522033691406,3.6280472278595,0.00443347822874784,384.426544189453,5.85896444320679,115.319862365723,-0.175160065293312,5.0,706.935546875,8.01988983154297,0.0387888140976429,1.0,24.9300479888916,419.0,0.927522778511047,3.78590226173401,0.435977876186371,1.21761894226074,3.55100011825562,0.0,1.21314382553101,4.0,41.82,2.0,8.39273357391357,0.16666667163372,174.850662231445,0.0,16.0,0.0,0.0,5.78566741943359,0.207630321383476,116.426170349121,-321.5390625,12.6327209472656,0.0555555559694767,0.187189534306526,1199.77087402344,82.4758,64.117790222168,0.706757128238678,-23.0107173919678,6.98101139068604,0.16666667163372,0.0134987309575081,60.1994667053223,0.799115002155304,5.14271450042725,0.0515406094491482,1.0,0.0661965683102608,0.0,0.281856507062912,2.89777374267578,0.226950168609619,2.00633978843689,5.93701934814453,1.20643925666809
InChI%3D1S%2FC14H9ClF2N2O2%2Fc15-8-4-6-9%287-5-8%2918-14%2821%2919-13%2820%2912-10%2816%292-1-3-11%2812%2917%2Fh1-7H%2C%28H2%2C18%2C19%2C20%2C21%29,0.326115548610687,0.438368439674377,16.763786315918,4.0,6.37222766876221,11.0,301.614992141724,0.681829750537872,0.189631953835487,0.0,0.342602282762527,0.888469755649567,33.9857559204102,-0.344065010547638,2.62963938713074,313.963073730469,1115.69921875,1.27498137950897,26.4442329406738,-558.933166503906,1262.02917480469,5.75600099563599,13.245677947998,39.0816497802734,-47.9173469543457,1647.515625,40.0517578125,1555.09802246094,39.5063323974609,0.0,4.0,0.45422375202179,3.51917481422424,541.070007324219,0.808632433414459,34.9688529968262,8.02222222222222,0.0495481714606285,5.0,0.0,1260.04211425781,0.0,1.50849997997284,11.8500003814697,0.318170249462128,0.5,150.313400268555,0.608605861663818,2.23000001907349,267.595642089844,0.54577624797821,3.0,16.3966636657715,1.59969234466553,61.689998626709,-0.971618950366974,15.6028633117676,0.5,-0.0832969024777412,0.235702261328697,1.0,5.85111379623413,0.181818181818182,392.229156494141,3.80189442634583,0.156864285469055,1.0,48.936092376709,0.466754287481308,4.1549,1.27455353736877,-0.269379913806915,4.9417290687561,8.91384029388428,0.21894645690918,12.8046846389771,0.0,80.7099990844727,3.00305604934692,-0.349236398935318,261.296600341797,5.14320707321167,96.646484375,0.270592927932739,4.0,465.173645019531,6.05717945098877,0.052999347448349,0.0,28.5030651092529,408.0,0.82417219877243,4.51713180541992,0.425717383623123,0.906366407871246,1.90699994564056,0.0,0.894934296607971,6.0,61.69,4.0,8.0222225189209,0.151374712586403,180.610290527344,0.0,18.0,0.25,0.0,5.0,0.317625373601913,-52.6664695739746,-321.53173828125,11.2339496612549,0.0518340393900871,0.193226426839828,1024.10681152344,75.9945,183.030517578125,0.539568066596985,-27.5649185180664,6.13524007797241,0.0,0.0,76.42041015625,0.745951771736145,4.40555047988892,0.075598880648613,1.0,0.0397772379219532,1.0,0.240658104419708,2.74128437042236,0.183146074414253,1.67415964603424,2.27557229995728,1.02911341190338
InChI%3D1S%2FC10H19N5S%2Fc1-6-11-7-12-8%2815-10%282%2C3%294%2914-9%2813-7%2916-5%2Fh6H2%2C1-5H3%2C%28H2%2C11%2C12%2C13%2C14%2C15%29,0.152118429541588,0.858242869377136,14.8090257644653,5.0,1.5,0.0,222.21199798584,0.959276854991913,0.506593585014343,0.0,0.244953706860542,0.988475680351257,23.9276924133301,-0.284390568733215,4.04750680923462,90.6321334838867,1134.984375,1.38242161273956,21.0014228820801,-146.570190429688,1250.59533691406,0.310590237379074,9.773042678833,29.411584854126,-11.8673000335693,1630.1513671875,24.499979019165,1489.47106933594,28.7498378753662,0.0,4.0,0.826913297176361,0.596927344799042,1281.06005859375,1.33728325366974,31.9720726013184,6.07438016528926,0.0364612899720669,5.26446280991736,1.08712863922119,1391.44189453125,3.76471042633057,1.9815000295639,11.8900003433228,0.040723130106926,0.375,226.723785400391,0.581019461154938,1.89999997615814,366.657440185547,0.173086687922478,0.0,9.99698734283447,2.17303252220154,,-0.279915601015091,31.3837604522705,4.0612621307373,-0.0226638354361057,0.0,0.600000023841858,3.71286463737488,0.25,502.299224853516,2.59263896942139,0.273313522338867,1.0,53.2177352905273,0.328258574008942,1.6576,1.15188384056091,-0.335463553667068,0.0,10.9997568130493,0.381152480840683,0.94494080543518,0.0,67.3699035644531,1.77000296115875,-0.371913105249405,432.990661621094,3.24501752853394,107.12735748291,0.259397923946381,4.0,700.232055664062,3.7614369392395,0.0667481943964958,0.0,19.0919628143311,196.0,1.01815342903137,5.30563831329346,0.370060622692108,1.47036910057068,1.98599994182587,0.0,1.46226322650909,5.0,91.26,5.0,6.07438039779663,0.0680413842201233,47.4570503234863,0.0,4.0,0.0,1.0,5.26446294784546,0.144337564706802,342.358520507812,-76.7474899291992,11.5337657928467,0.020833333954215,0.175758108496666,846.802185058594,67.6434,21.3235607147217,1.55484712123871,-6.2139892578125,6.87216854095459,0.0,0.25,30.959264755249,0.772924661636353,5.66419172286987,0.0452491343021393,0.0,0.0,0.0,0.431341558694839,2.72152900695801,0.0939654260873795,1.92604613304138,3.92634224891663,1.23251724243164
InChI%3D1S%2FC15H21NO4%2Fc1-10-7-6-8-11%282%2914%2810%2916%2813%2817%299-19-4%2912%283%2915%2818%2920-5%2Fh6-8%2C12H%2C9H2%2C1-5H3,0.279260575771332,0.611510455608368,12.8555965423584,5.0,6.67872285842896,4.0,258.167993545532,0.87660002708435,0.249587744474411,0.0,0.0793886631727219,2.29960417747498,23.4578647613525,-0.374831587076187,4.91000843048096,168.323318481445,1216.58874511719,1.24536991119385,22.4911079406738,-301.153961181641,1395.40124511719,3.99074840545654,5.64598369598389,30.4872283935547,-26.0333633422852,1912.32104492188,36.760066986084,2129.93041992188,38.1515693664551,0.16666667163372,7.0,0.725296199321747,1.08447456359863,1301.05004882812,1.29765629768372,15.9979314804077,8.44444444444444,0.0369995124638081,4.49632653061224,4.37438154220581,2010.90954589844,8.9466781616211,0.866400003433228,11.8900003433228,0.123399987816811,0.5,272.316864013672,0.432690531015396,2.55999994277954,487.213012695312,0.274703830480576,0.0,13.8916921615601,1.35748136043549,55.8400001525879,-0.491483569145203,30.6853466033936,0.0,-0.0424864739179611,0.472972095012665,1.0,5.11328125,0.35,537.132019042969,3.59598755836487,0.381935507059097,0.0,51.9964332580566,0.675135433673859,1.8443,1.07108044624329,-0.401711314916611,2.31898379325867,11.2283430099487,-0.046521820127964,8.05601978302002,0.0,79.3767013549805,3.47563576698303,0.33311465382576,444.421417236328,5.68105602264404,128.601257324219,-0.333760142326355,7.0,795.132080078125,8.44493675231934,0.178879618644714,2.0,22.6712551116943,244.0,1.35819792747498,4.61805820465088,0.357090026140213,2.019127368927,0.82099997997284,0.0,2.47780919075012,12.0,55.84,5.0,8.44444465637207,0.0680413842201233,103.139228820801,0.0,9.0,0.200000002980232,0.0,4.4963264465332,0.175366476178169,276.098083496094,-184.530502319336,12.5967149734497,0.0240562614053488,0.209462150931358,1096.28601074219,76.756,75.6126937866211,0.65088826417923,-15.9518060684204,6.38655233383179,1.09204828739166,0.0,48.7046203613281,0.79919421672821,4.63630247116089,0.0588708110153675,0.0,0.153112486004829,2.0,0.455589383840561,3.14649605751038,0.156036093831062,2.18896913528442,0.750648975372314,1.27129185199738
InChI%3D1S%2FC11H15N3O2%2Fc1-12-11%2815%2916-10-6-4-5-9%287-10%2913-8-14%282%293%2Fh4-8H%2C1-3H3%2C%28H%2C12%2C15%29,0.283323168754578,0.280723690986633,16.7428436279297,5.0,1.19055080413818,6.0,206.139995574951,0.819091498851776,0.151393130421638,0.0,0.333011895418167,0.84966629743576,18.6289024353027,-0.325512439012527,2.87814140319824,137.510070800781,782.190612792969,1.27479696273804,18.1595726013184,-206.5908203125,842.194885253906,4.6449728012085,13.0150365829468,23.237943649292,-19.3480911254883,1031.74621582031,20.6575717926025,935.954772949219,18.3806686401367,0.0,4.0,0.733078896999359,1.06733691692352,721.049987792969,1.10135471820831,15.9959230422974,7.35,0.0482262037694454,5.77777777777778,2.96148872375488,803.711669921875,1.81985867023468,0.404100000858307,11.9934053421021,0.180908530950546,0.5,194.560104370117,0.583379983901978,2.11999988555908,292.300994873047,0.266921132802963,0.0,12.7992992401123,1.10517168045044,57.4199981689453,-0.401013940572739,22.9341049194336,0.16666667163372,-0.037556629627943,0.0,1.0,3.18331098556519,0.25,421.972320556641,2.54541063308716,0.171902775764465,2.0,50.9630126953125,0.436180055141449,1.8306,1.03473269939423,-0.383918553590775,4.32963848114014,8.82687091827393,0.294630765914917,6.45510816574097,0.0,66.2997970581055,1.53058302402496,-0.179339334368706,377.661102294922,1.89444768428802,99.5336074829102,0.0879173949360847,4.0,567.386169433594,2.42195320129395,0.0507480278611183,1.0,24.8447513580322,238.0,0.40736648440361,4.67467164993286,0.391425669193268,0.394677221775055,1.4099999666214,0.0,0.419073104858398,5.0,57.42,4.0,7.34999990463257,0.0833333358168602,70.8412246704102,0.0,13.0,0.0,0.0,5.77777767181396,0.117851130664349,240.151031494141,-106.429634094238,9.58385372161865,0.0277777779847383,0.21660353243351,773.976989746094,64.8968,93.1988525390625,0.44160071015358,-9.96757888793945,4.75847434997559,0.5,0.0,44.1928443908691,0.973190546035767,3.31377935409546,0.0237628296017647,1.0,0.0,0.0,0.299991250038147,1.65579080581665,0.18855020403862,0.96049278974533,0.163296803832054,0.639119148254395
InChI%3D1S%2FC12H19ClNO3P%2Fc1-12%282%2C3%299-6-7-11%2810%2813%298-9%2917-18%2815%2C14-4%2916-5%2Fh6-8H%2C1-5H3%2C%28H%2C14%2C15%29,0.392335653305054,0.592036783695221,15.5447416305542,4.0,1.65096366405487,5.0,272.56299495697,0.85765415430069,0.33039590716362,0.0,0.307081580162048,1.39281821250916,34.0465621948242,-0.296695500612259,2.60567140579224,178.206512451172,977.977600097656,1.60560345649719,30.0952663421631,-263.279327392578,1108.44079589844,1.91535747051239,11.5462522506714,40.2879829406738,-25.9075183868408,1537.60034179688,40.314338684082,1455.75073242188,37.6660423278809,0.5,5.0,0.710580885410309,6.13390064239502,1063.06005859375,1.04980027675629,34.9688529968262,5.96982167352538,0.046368382871151,4.26666666666667,3.66545391082764,1159.6171875,3.71132397651672,2.24810004234314,11.8900003433228,0.14234584569931,0.444444447755814,269.405334472656,0.676446437835693,2.11999988555908,398.014923095703,0.289419114589691,1.0,17.5798282623291,2.83950853347778,57.3699989318848,-0.427582949399948,34.1209335327148,0.0,-0.042075514793396,0.550863802433014,0.800000011920929,3.7203311920166,0.277777777777778,528.090759277344,2.9945707321167,0.167623966932297,0.0,49.7967948913574,0.471000880002975,3.9902,1.06855046749115,-0.453077703714371,1.65096366405487,10.037389755249,0.407260537147522,5.85380077362061,1.0,76.4582977294922,4.54256200790405,-0.195565566420555,437.532043457031,5.17491149902344,107.245498657227,-0.0654670000076294,5.0,646.402465820312,6.12032604217529,0.0896006003022194,2.0,28.5508003234863,248.0,2.02742528915405,3.64516091346741,0.479633510112762,2.00426173210144,2.49900007247925,0.0,2.23486733436584,7.0,57.37,3.0,5.96982145309448,0.0680413842201233,109.728622436523,0.0,11.0,0.0,0.0,4.26666688919067,0.150174587965012,259.325531005859,-162.111221313477,12.2618455886841,0.0240562614053488,0.200762391090393,909.681823730469,74.4552,87.6478271484375,1.76937770843506,-15.9522571563721,6.32492589950562,1.0,0.272833198308945,54.4583206176758,0.791192770004272,5.79555225372314,0.0491262935101986,0.0,0.288575828075409,1.0,0.449523508548737,3.19294619560242,0.265532582998276,1.76651644706726,5.05395364761353,1.22604632377625
InChI%3D1S%2FC19H17ClN4%2Fc20-18-8-6-16%287-9-18%2910-11-19%2812-21%2C13-24-15-22-14-23-24%2917-4-2-1-3-5-17%2Fh1-9%2C14-15H%2C10-11%2C13H2,0.128456085920334,1.28171324729919,15.6042709350586,3.0,0.685006737709045,10.0,319.689992904663,0.886936783790588,0.766956984996796,0.0,0.217782109975815,1.89385735988617,33.1527061462402,-0.289559066295624,3.97788190841675,264.272796630859,1720.64086914062,1.30295634269714,29.308837890625,-465.012115478516,1991.37036132812,2.37867832183838,9.73253154754639,40.4543762207031,-35.4389152526855,2708.82958984375,39.2329559326172,2660.06323242188,36.9735794067383,0.0,6.0,0.605559289455414,0.183199405670166,1657.05004882812,1.06553685665131,34.9688529968262,9.08734693877551,0.0414157472550869,5.01925925925926,0.0,2493.31762695312,0.0,1.76900005340576,11.8500003814697,0.113063231110573,0.454545468091965,271.830444335938,0.438490390777588,3.0,478.310455322266,0.394440740346909,1.0,18.591178894043,1.45105040073395,,-0.694054484367371,26.0173473358154,0.5,-0.052894402295351,0.216506347060204,0.833333313465118,6.69637727737427,0.230769230769231,594.242065429688,5.12962818145752,0.25492262840271,0.0,64.6804275512695,0.294212251901627,4.02588,2.2046582698822,-0.133300393819809,25.4285526275635,12.5454902648926,-0.0021117920987308,12.8416290283203,0.0,105.415496826172,3.41798567771912,-0.0507647804915905,405.720886230469,5.31826782226562,153.605117797852,0.0489035360515118,6.0,713.902954101562,6.4819278717041,0.121367886662483,0.0,27.7482891082764,456.0,1.75826609134674,5.31536197662354,0.462906271219254,2.29368257522583,2.70199990272522,0.144337564706802,2.4710488319397,6.0,54.5,4.0,9.08734703063965,0.287457466125488,177.061111450195,0.0559016987681389,6.0,0.0,0.0,5.01925945281982,0.244320973753929,141.448089599609,-311.55517578125,14.2600069046021,0.099381260573864,0.164487555623055,1178.9150390625,93.528,75.7516555786133,0.928746819496155,-23.7438488006592,8.49998664855957,0.0,0.0625,63.1872024536133,0.874534785747528,6.5637903213501,0.0869406387209892,0.0,0.100592233240604,0.0,0.401559710502625,4.73718118667603,0.081189252436161,3.21455359458923,3.12936091423035,2.22136640548706
InChI%3D1S%2FC15H11ClF3NO4%2Fc1-8%2814%2821%2922%2923-10-2-4-11%285-3-10%2924-13-12%2816%296-9%287-20-13%2915%2817%2C18%2919%2Fh2-8H%2C1H3%2C%28H%2C21%2C22%29,0.418230891227722,0.543087422847748,20.6387825012207,4.0,5.04042720794678,8.0,350.614990234375,0.805140793323517,0.304241746664047,0.0,0.384146422147751,1.05673038959503,39.6767501831055,-0.334130376577377,2.13137221336365,364.074859619141,1192.13110351562,1.34284281730652,31.0220146179199,-812.404235839844,1363.19921875,0.962526738643646,17.4506797790527,50.8040962219238,-59.9479331970215,1837.49987792969,50.5209350585938,1791.27563476562,41.1273612976074,0.200000002980232,6.0,0.411153554916382,0.0,744.090026855469,0.917456567287445,34.9688529968262,8.5895061728395,0.0283801611512899,6.0464009518144,1.02598559856415,1477.74194335938,1.61683428287506,2.0378999710083,11.9884796142578,0.194859236478806,0.5,157.174209594727,0.592855215072632,2.11999988555908,350.721801757812,0.588846445083618,4.0,10.8490600585938,2.8900158405304,,-1.31396424770355,22.1642761230469,0.0,-0.0969584360718727,0.786566078662872,1.0,5.52457904815674,0.24,497.806365966797,4.73503637313843,0.103270255029202,0.0,57.8868446350098,0.851589143276215,3.0633,2.07380795478821,-0.439231991767883,4.55375957489014,9.36573600769043,-0.0518971160054207,12.6744508743286,0.0,85.4498977661133,4.80073833465576,0.075936384499073,254.210021972656,5.08550453186035,117.829544067383,-0.0255056992173195,6.0,567.24951171875,7.05280017852783,0.0512011982500553,2.0,17.547025680542,535.0,1.11066746711731,3.57295894622803,0.425717622041702,1.081822514534,2.6470000743866,0.0,1.20987808704376,6.0,71.48,3.0,8.58950614929199,0.151374712586403,225.101989746094,0.0,14.0,0.5,0.0,6.04640102386475,0.268025726079941,-109.864837646484,-502.297241210938,12.9284105300903,0.0464116781949997,0.148889571428299,1379.65380859375,76.5485,120.478515625,0.733419120311737,-37.0648994445801,6.94492292404175,0.81649661064148,0.0134987309575081,77.4949569702148,0.891068935394287,5.08771133422852,0.0607335232198238,1.0,0.0871115773916245,1.0,0.324270039796829,3.10441184043884,0.187391191720963,1.81282818317413,4.15303659439087,1.19936168193817
InChI%3D1S%2FC9H9Cl2NO%2Fc1-2-9%2813%2912-6-3-4-7%2810%298%2811%295-6%2Fh3-5H%2C2H2%2C1H3%2C%28H%2C12%2C13%29,0.144404903054237,0.341370403766632,9.03914737701416,2.0,2.40685200691223,6.0,209.010994911194,0.838239669799805,0.169737562537193,,0.302143484354019,0.515447735786438,29.559965133667,-0.348026484251022,1.8691577911377,213.059616088867,780.319885253906,1.55948281288147,17.5679378509521,-206.208221435547,855.311401367188,12.4308309555054,6.65454196929932,26.1910629272461,-32.8010597229004,1078.45239257812,32.6824417114258,948.019287109375,18.1761169433594,0.0,2.0,0.477120608091354,3.74135875701904,328.040008544922,0.461777746677399,34.9701538085938,5.0242214532872,0.0287960413843393,3.32409972299169,1.14297616481781,621.462097167969,0.934275984764099,1.6985000371933,11.9985370635986,0.161760315299034,0.5,79.2186508178711,0.569716691970825,2.00999999046326,76.6712036132812,0.522879362106323,2.0,4.78114652633667,0.964203774929047,32.5900001525879,-0.50606507062912,11.9988632202148,0.0,-0.0804985910654068,0.16666667163372,1.0,2.60883259773254,0.153846153846154,341.560668945312,2.00753474235535,0.20678474009037,1.0,16.8319091796875,0.186987280845642,3.9914,0.663434386253357,-0.0831747055053711,2.14426136016846,9.72548866271973,-0.00109663745388389,7.57937431335449,,58.6402015686035,1.94286894798279,-0.022501839324832,194.414123535156,2.12706422805786,32.2823944091797,0.0105084888637066,2.0,188.162307739258,2.76955556869507,0.0570239312946796,,11.7336311340332,155.0,0.960093557834625,5.09210109710693,0.558617055416107,0.797893106937408,2.10400009155273,0.0,0.88656210899353,5.0,32.59,2.0,5.02422142028809,0.0680413842201233,86.8162002563477,0.0,9.0,0.0,,3.32409977912903,0.184195280075073,-18.6455001831055,-84.0244369506836,8.60137176513672,0.0240562614053488,0.359549582004547,394.370544433594,56.4768,65.9130859375,0.472573101520538,-13.3655710220337,4.60340785980225,0.0,0.0,44.5346908569336,0.809719264507294,3.29439663887024,0.0653127580881119,,0.107142858207226,,0.431149035692215,2.21659779548645,0.226403653621674,1.07499957084656,2.88490223884583,0.706988573074341
InChI%3D1S%2FC20H19F3N2O4%2Fc1-13%2814-8-6-9-16%2811-14%2920%2821%2C22%2923%2924-29-12-15-7-4-5-10-17%2815%2918%2825-28-3%2919%2826%2927-2%2Fh4-11H%2C12H2%2C1-3H3,0.436831027269363,0.764832019805908,21.9592418670654,6.0,5.81609010696411,10.0,389.223989486694,0.92587274312973,0.381192266941071,0.0,0.27700287103653,2.33454632759094,37.3239860534668,-0.31399068236351,4.19458436965942,297.051635742188,1548.13269042969,1.23613631725311,34.8451194763184,-683.782958984375,1767.92236328125,0.368896216154099,15.4301118850708,50.6835289001465,-40.8518905639648,2355.9296875,52.4173965454102,2468.00170898438,53.022144317627,0.57235711812973,9.0,0.581946194171906,0.0,1589.08996582031,1.33958148956299,19.0012626647949,12.1427721594289,0.0329434797167778,7.5712,3.95035934448242,2231.24951171875,4.21094274520874,2.73810005187988,11.9973793029785,0.0741272419691086,0.5,293.820709228516,0.512183308601379,2.67000007629395,676.345703125,0.418053805828094,3.0,16.6329402923584,2.58726644515991,69.4800033569336,-0.962317764759064,31.0859336853027,0.16666667163372,-0.057492658495903,0.770685791969299,1.0,7.18378400802612,0.3,657.886657714844,5.76849460601807,0.191016808152199,2.0,110.537673950195,0.818706035614014,4.1697,2.32803773880005,-0.407630890607834,8.61584568023682,10.4196319580078,-0.061580378562212,15.8731393814087,0.0,107.731903076172,4.7967700958252,0.0359046123921871,413.506774902344,6.49916553497314,283.595550537109,0.20310840010643,9.0,951.850891113281,8.71041011810303,0.106312692165375,3.0,23.4082660675049,668.0,1.31620895862579,3.60817074775696,0.370997667312622,1.49905526638031,3.72699999809265,0.0,1.612144947052,8.0,69.48,2.0,12.1427717208862,0.16666667163372,211.072555541992,0.0,12.0,0.0,0.0,7.57119989395142,0.196817278862,116.455116271973,-485.867736816406,15.9872226715088,0.0555555559694767,0.136350870132446,1635.63391113281,100.448,52.6717376708984,0.684409618377686,-29.0276546478271,8.39499950408936,0.825481832027435,0.0134987309575081,64.2601547241211,0.892799735069275,5.7998948097229,0.0613085217773914,0.0,0.127899244427681,1.0,0.352955371141434,3.86300849914551,0.181009367108345,2.43346571922302,7.49719142913818,1.55989801883698
InChI%3D1S%2FC11H19N3O%2Fc1-4-6-7-9-8%283%2913-11%2812-5-2%2914-10%289%2915%2Fh4-7H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%29,0.150239497423172,0.787663698196411,14.1120643615723,3.0,3.53277564048767,0.0,190.140995979309,0.865813076496124,0.294696837663651,0.0,0.31987863779068,1.2891663312912,16.8544330596924,-0.400744020938873,2.10001277923584,90.0138473510742,874.467224121094,1.20617115497589,16.3292026519775,-130.64289855957,963.383728027344,7.56574392318726,10.7228851318359,21.6302623748779,-18.6266784667969,1234.15881347656,22.3257579803467,1230.81616210938,20.9344120025635,0.0,4.0,0.83035558462143,2.87736177444458,1234.0400390625,1.20514869689941,15.9979457855225,6.55401662049861,0.0402021855115891,3.8109640831758,3.18555998802185,967.309692382812,3.28384494781494,-1.24339997768402,11.9962329864502,0.134186923503876,0.5,233.77799987793,0.442089974880219,2.23000001907349,339.297088623047,0.169644415378571,0.0,11.3185081481934,0.811611413955688,,-0.246215879917145,27.7837600708008,1.5,-0.0351047329604626,0.19245009124279,1.0,3.71103000640869,0.266666666666667,459.403076171875,2.44783616065979,0.148809745907784,1.0,39.0490455627441,0.266136974096298,1.6869,0.743387579917908,-0.200005933642387,2.02732348442078,9.86914920806885,0.186295419931412,5.19102096557617,0.0,55.0186004638672,1.81854486465454,-0.198853492736816,440.589233398438,3.08989310264587,82.1908111572266,0.0895030573010445,4.0,639.45556640625,3.77645373344421,0.0913520753383636,0.0,21.3314018249512,207.0,0.963741898536682,5.20491313934326,0.351053565740585,1.29813599586487,2.58200001716614,0.0,1.38711190223694,4.0,61.27,4.0,6.55401659011841,0.0555555559694767,47.7616233825684,0.0,4.0,0.0,0.0,3.81096410751343,0.189678534865379,350.575378417969,-69.3195266723633,9.95490550994873,0.0240562614053488,0.259942978620529,770.098510742188,59.7055,71.1999893188477,0.433186739683151,-9.88337326049805,5.9418625831604,0.0,0.0,39.958080291748,0.733306705951691,4.15121936798096,0.0625831782817841,1.0,0.098470412194729,0.0,0.413027673959732,2.90400981903076,0.145979359745979,1.98200595378876,1.54604351520538,1.24642074108124
InChI%3D1S%2FC9H22O4P2S4%2Fc1-5-10-14%2816%2C11-6-2%2918-9-19-15%2817%2C12-7-3%2913-8-4%2Fh5-9H2%2C1-4H3,0.220429271459579,12.0262660980225,20.7864303588867,8.0,0.0,0.0,362.311002731323,0.94766515493393,6.70454072952271,2.0,0.305211842060089,2.14323043823242,57.9097175598145,-0.322603464126587,3.2553699016571,121.741226196289,1357.98132324219,1.32927787303925,55.9487342834473,-191.7392578125,1475.92126464844,1.11071693897247,15.3878297805786,74.1847991943359,-14.8384742736816,1821.19775390625,61.4398422241211,1820.50048828125,67.8181686401367,1.44224953651428,12.0,0.817677676677704,0.245409294962883,1258.09997558594,1.28782105445862,31.9750823974609,9.8336483931947,0.0242009777575731,8.0,4.36259603500366,1649.79467773438,0.0,4.13350009918213,11.8900003433228,0.0523348711431026,0.5,364.5673828125,0.613305628299713,1.35000002384186,574.184143066406,0.182322308421135,0.0,10.7901773452759,1.85355341434479,171.320007324219,-0.287152916193008,44.3945541381836,0.0,-0.0222224220633507,0.0,1.0,4.10615539550781,0.666666666666667,632.779968261719,1.78033006191254,0.15661033987999,0.0,90.0497512817383,0.595385253429413,6.3065,0.603553414344788,-0.470932185649872,1.89464569091797,12.2822151184082,0.397346585988998,0.0,2.0,95.0817031860352,2.87132024765015,-0.366467952728271,545.984069824219,4.62132024765015,218.197189331055,0.186016753315926,12.0,859.910766601562,3.32582521438599,0.103107191622257,4.0,16.1596050262451,282.0,6.58407163619995,5.30952310562134,0.385485231876373,11.3550128936768,4.97800016403198,0.0,11.9540205001831,19.0,171.32,4.0,9.83364868164062,0.0,81.2896957397461,0.0,4.0,0.0,2.0,8.0,0.0,424.242858886719,-128.029159545898,16.7507877349854,0.0,0.20419605076313,1051.65002441406,95.575,34.9453163146973,4.38178062438965,-9.90802478790283,14.4787397384644,0.0,0.670820415019989,30.9980792999268,0.882901430130005,15.9270429611206,0.0,0.0,0.0,0.0,0.330487072467804,13.5658483505249,0.139213547110558,13.7110996246338,17.085823059082,11.2262506484985
InChI%3D1S%2FC10H16Cl3NOS%2Fc1-6%282%2914%287%283%294%2910%2815%2916-5-8%2811%299%2812%2913%2Fh6-7H%2C5H2%2C1-4H3,0.262066811323166,0.616293370723724,12.2110576629639,3.0,3.20884418487549,1.0,288.541995048523,0.968759536743164,0.492122799158096,0.0,0.247381180524826,1.51395452022552,46.4004707336426,-0.267477780580521,2.59903597831726,245.903350830078,1268.05029296875,1.4773496389389,25.0254306793213,-271.909393310547,1361.08178710938,3.41588759422302,8.09806728363037,43.0775604248047,-27.9206581115723,1662.412109375,53.3813018798828,1628.32788085938,44.2185325622559,0.0,6.0,0.546934068202972,0.670557737350464,721.059997558594,0.604776203632355,34.9710578918457,7.35,0.0249042902141809,5.77777777777778,0.800000011920929,1375.48559570312,6.10283517837524,2.40720009803772,11.9985313415527,0.0312404818832874,0.5,161.11686706543,0.415703356266022,1.89999997615814,178.156127929688,0.45306596159935,3.0,7.33635234832764,1.58251559734344,45.6100006103516,-0.500980913639069,23.9693126678467,0.0,-0.0514425672590733,0.536491930484772,1.0,3.13549852371216,0.4,525.798095703125,1.10313367843628,0.21284282207489,0.0,37.2420959472656,0.303102254867554,4.8439,0.478822350502014,-0.192894443869591,0.0,11.4030170440674,0.101045526564121,2.17637634277344,0.0,75.6871032714844,3.04986238479614,-0.0436875633895397,296.850616455078,4.11481142044067,81.3176040649414,-0.0335948430001736,6.0,328.244720458984,3.35990405082703,0.123982265591621,0.0,13.5169019699097,193.0,2.4761700630188,6.35272932052612,0.524986624717712,3.21433639526367,3.82399988174438,0.0,2.6402428150177,16.0,45.61,2.0,7.34999990463257,0.0,133.465026855469,0.0,3.0,0.0,1.0,5.77777767181396,0.0,50.9472732543945,-147.57991027832,12.8436946868896,0.0,0.241823896765709,600.154113769531,74.55,16.9558963775635,1.22461128234863,-15.1540479660034,7.03632116317749,0.0,0.0,41.4375610351562,0.735301077365875,6.14688587188721,0.0,0.0,0.444055199623108,1.0,0.53665965795517,3.87249732017517,0.236914500594139,2.69311714172363,5.79461193084717,1.10713028907776
InChI%3D1S%2FC14H8Cl2N4%2Fc15-11-7-3-1-5-9%2811%2913-17-19-14%2820-18-13%2910-6-2-4-8-12%2810%2916%2Fh1-8H,0.206400826573372,0.587034225463867,18.8772163391113,4.0,5.29643678665161,10.0,295.087993621826,0.986326456069946,0.321749895811081,0.0,0.415095627307892,0.107417851686478,36.8654594421387,-0.176254794001579,2.02959322929382,374.680053710938,1337.90588378906,1.22978389263153,27.2881927490234,-440.081817626953,1548.69799804688,6.47972106933594,16.7402057647705,39.8564071655273,-34.1265907287598,2093.9970703125,45.4246215820312,2063.58349609375,42.3315277099609,0.0,2.0,0.396641284227371,0.527458250522614,520.059997558594,0.465876460075378,34.970157623291,6.84,0.0268988721072674,3.4425,0.0,1622.25720214844,0.0,2.19980001449585,11.9985179901123,0.0136735355481505,0.454545468091965,152.956481933594,0.615111351013184,2.33999991416931,179.65559387207,0.603358685970306,2.0,10.3729915618896,1.07690334320068,,-0.708677172660828,12.2256555557251,3.30192732810974,-0.0549550876021385,0.328532844781876,0.833333313465118,6.09181356430054,0.0909090909090909,612.499389648438,4.80068922042847,0.10751548409462,0.0,35.9920196533203,0.205220639705658,3.9074,2.08330392837524,-0.0579583048820496,6.70422315597534,10.106162071228,-0.0761639997363091,12.4174356460571,0.0,86.3010025024414,2.88035488128662,-0.050009161233902,246.310485839844,4.62608289718628,58.5188446044922,0.0303353201597929,2.0,289.304870605469,6.07457494735718,0.00569034367799759,0.0,16.7039451599121,372.0,1.19823515415192,6.6029167175293,0.455412149429321,1.44020092487335,4.48199987411499,0.0,1.44028222560883,0.0,51.56,4.0,6.84000015258789,0.25,232.672760009766,0.0,18.0,0.0,0.0,3.44250011444092,0.359116762876511,-128.369567871094,-273.286651611328,11.675443649292,0.0655555576086044,0.110368110239506,729.386657714844,78.514,8.491135597229,0.571664392948151,-21.192289352417,6.58302116394043,0.0,0.0,50.8305358886719,0.802318096160889,4.8213062286377,0.100771859288216,0.0,0.123358629643917,0.0,0.159260347485542,3.36758232116699,0.17470882833004,2.1705105304718,4.83911991119385,1.30794787406921
InChI%3D1S%2FC12H18N4O6S%2Fc1-7%282%2914%288%283%294%2912-10%2815%2817%2918%295-9%2823%2813%2C21%2922%296-11%2812%2916%2819%2920%2Fh5-8H%2C1-4H3%2C%28H2%2C13%2C21%2C22%29,,0.939735293388367,13.2011365890503,8.0,6.35979080200195,6.0,328.220994949341,0.837324738502502,0.491517186164856,0.0,0.248989403247833,1.92373943328857,35.2145195007324,,2.49442744255066,267.820648193359,1601.95385742188,1.32336866855621,34.9408378601074,-435.886260986328,1880.13195800781,0.0,8.78296947479248,45.5904998779297,-38.1951026916504,2746.41015625,48.3741340637207,3009.93505859375,58.9513359069824,0.0,6.0,0.541795074939728,0.294590920209885,1175.10998535156,0.881788074970245,,7.92,0.0310388561338186,4.98866213151927,1.60000002384186,2990.80493164062,7.77664518356323,-0.91210001707077,,0.162675276398659,0.5,185.098831176758,0.451185047626495,1.57000005245209,301.253997802734,0.45820489525795,0.0,10.6041126251221,3.33808398246765,140.059997558594,-0.745742440223694,29.985725402832,0.0,-0.0653466582298279,1.05515933036804,1.0,5.75495624542236,0.260869565217391,489.416076660156,4.68422794342041,0.188955515623093,0.0,43.6032524108887,0.37146258354187,3.9008,1.59969186782837,-0.0953986644744873,0.5,,-0.0313447676599026,5.60793161392212,0.0,50.2018013000488,5.45274448394775,0.0448005571961403,316.679077148438,7.7232494354248,98.9505920410156,-0.0466497465968132,6.0,515.404846191406,11.4156951904297,0.145725294947624,0.0,18.1422023773193,275.0,2.14605331420898,,0.43162328004837,2.999183177948,2.01900005340576,0.0,3.39197254180908,7.0,163.42,4.0,7.92000007629395,0.0555555559694767,156.541091918945,0.0,17.0,3.1143274307251,0.0,4.9886622428894,0.124002821743488,48.8584403991699,-254.775405883789,13.5449914932251,0.020833333954215,0.163239359855652,951.291137695312,88.2544,95.0836563110352,1.35506510734558,-22.3250274658203,7.52378988265991,0.0,0.0417188480496407,56.3373069763184,0.804620862007141,6.34162855148315,0.0460156425833702,0.0,0.310302168130875,6.0,0.440560340881348,3.63772749900818,0.146517500281334,2.70903849601746,0.83192640542984,1.62452936172485
InChI%3D1S%2FC21H20Cl2O3%2Fc1-21%282%2917%2812-18%2822%2923%2919%2821%2920%2824%2925-13-14-7-6-10-16%2811-14%2926-15-8-4-3-5-9-15%2Fh3-12%2C17%2C19H%2C13H2%2C1-2H3,0.266152799129486,1.0022120475769,14.6732940673828,3.0,5.31624794006348,12.0,371.133990287781,0.90227222442627,0.467383503913879,,0.127326384186745,1.53667855262756,43.7489128112793,-0.31130176782608,5.75445413589478,302.518646240234,1666.56994628906,1.36538994312286,33.5639343261719,-517.724182128906,1928.92138671875,2.19144487380981,7.38216114044189,51.7153396606445,-36.9335021972656,2411.59497070312,41.5564880371094,2218.34399414062,44.7920532226562,0.200000002980232,7.0,0.538357794284821,0.176001042127609,1654.05004882812,0.921334326267242,34.969856262207,9.0,0.0312039125710726,5.09342560553633,2.66794109344482,2065.16577148438,3.33362126350403,3.57089996337891,11.8500003814697,0.0977277681231499,0.466666668653488,231.187484741211,0.571027994155884,3.22000002861023,395.649475097656,0.461642205715179,2.0,13.3999252319336,2.38108277320862,35.5299987792969,-0.790044903755188,27.494140625,0.0,-0.0563603714108467,0.282117545604706,0.875,7.03526210784912,0.25,591.267822265625,5.55336618423462,0.392171949148178,0.0,62.6670608520508,0.444388508796692,6.1133,2.08709526062012,-0.260513782501221,13.4274263381958,10.233847618103,0.089429996907711,16.5227203369141,,113.627899169922,3.77821469306946,-0.0248885825276375,352.791137695312,5.5912127494812,142.618927001953,-0.0457441247999668,7.0,603.759399414062,7.23982620239258,0.10472621768713,,20.4482307434082,644.0,2.27008318901062,5.06014823913574,0.480522930622101,2.46572494506836,4.53399991989136,0.496193736791611,2.89146399497986,4.0,35.53,2.0,9.0,1.1257266998291,198.243438720703,0.407229274511337,13.0,0.0,,5.51770114898682,1.37706232070923,50.2724761962891,-339.269714355469,16.1278419494629,0.584890842437744,0.181485533714294,1121.48352050781,103.304,64.0419616699219,1.76344215869904,-24.2028865814209,9.14603614807129,0.534522473812103,0.16666667163372,57.3817329406738,0.675468266010284,7.95922899246216,0.644676744937897,0.0,0.193447262048721,1.0,0.313839018344879,4.81392240524292,0.155457153916359,3.14340925216675,12.7513265609741,2.2006471157074
InChI%3D1S%2FC16H22ClN3O%2Fc1-15%282%2C3%2916%2821%2C10-20-12-18-11-19-20%299-8-13-4-6-14%2817%297-5-13%2Fh4-7%2C11-12%2C21H%2C8-10H2%2C1-3H3,0.091820053756237,1.1090407371521,14.7595071792603,3.0,0.333333343267441,5.0,285.648993492126,0.928474426269531,0.602760791778564,0.0,0.234512135386467,1.06608498096466,30.5671863555908,-0.387405514717102,4.15854215621948,179.837997436523,1471.42553710938,1.31789338588715,25.4747428894043,-311.182952880859,1678.77221679688,3.09189081192017,9.53488063812256,38.2844696044922,-24.4105091094971,2317.80737304688,35.4500503540039,2112.4228515625,28.3326835632324,0.0,6.0,0.69890683889389,0.708129823207855,1884.05004882812,1.20935463905334,34.9688529968262,7.05078125,0.0400459989905357,4.73338203067933,5.41495227813721,1785.0439453125,0.948683321475983,1.90050005912781,11.9943323135376,0.0715255737304688,0.454545468091965,249.333404541016,0.412505805492401,2.67000007629395,431.434478759766,0.301093131303787,1.0,14.2863178253174,2.67547678947449,,-0.520996987819672,30.8233814239502,0.5,-0.0408692099153996,1.43566012382507,0.833333313465118,4.77535533905029,0.272727272727273,554.562561035156,3.55136680603027,0.281753450632095,0.0,54.2495536804199,0.268169939517975,3.3415,1.37566339969635,-0.138427585363388,9.97135829925537,11.566554069519,-0.0216099880635738,6.61037969589233,0.0,90.4414978027344,5.18705177307129,0.0330466330051422,417.445617675781,5.41288042068481,111.280609130859,-0.00495807779952884,6.0,722.327697753906,6.30896711349487,0.0722303912043571,0.0,23.9188175201416,376.0,3.23851037025452,6.07253122329712,0.494360774755478,3.0693359375,2.48300004005432,0.144337564706802,3.17492485046387,9.0,50.94,4.0,7.05078125,0.185395404696465,107.414283752441,0.0559016987681389,6.0,0.0,0.0,4.73338222503662,0.193289935588837,237.607604980469,-185.864486694336,13.8732557296753,0.067306250333786,0.223851352930069,1033.51062011719,84.1998,42.7210540771484,2.06355404853821,-14.5799961090088,7.83930349349976,0.0,0.305901706218719,48.3293266296387,0.96688199043274,7.28543949127197,0.0709031298756599,1.0,0.849341630935669,0.0,0.411026746034622,4.57131814956665,0.121711544692516,2.66143131256104,3.61190032958984,1.82313895225525
InChI%3D1S%2FC12H11Cl2N3O2%2Fc13-9-1-2-10%2811%2814%295-9%2912%2818-3-4-19-12%296-17-8-15-7-16-17%2Fh1-2%2C5%2C7-8H%2C3-4%2C6H2,0.212177783250809,1.09604012966156,11.2862682342529,4.0,1.65096366405487,5.0,289.056993484497,0.926823616027832,0.55140894651413,0.0,0.138850629329681,1.59198606014252,37.0544090270996,-0.342840045690536,3.84271860122681,174.433670043945,1334.40026855469,1.4394474029541,27.4227561950684,-312.822662353516,1578.75598144531,0.749129354953766,5.85156345367432,41.9586868286133,-26.2274475097656,2251.54858398438,39.6925430297852,2078.9697265625,52.5285339355469,0.5,3.0,0.657062351703644,0.0,954.070007324219,1.1783504486084,34.970157623291,5.78,0.0440840125083923,2.88,0.0,1976.88977050781,0.0,0.875199973583221,11.9985237121582,0.0731764137744904,0.444444447755814,169.995254516602,0.542204916477203,2.00999999046326,304.862976074219,0.342937678098679,2.0,11.405421257019,1.45614206790924,,-0.61501133441925,23.0501041412354,0.5,-0.0515633262693882,0.260110020637512,0.800000011920929,6.16994380950928,0.142857142857143,471.424560546875,3.9836163520813,0.340477347373962,0.0,37.919075012207,0.556942045688629,2.4847,1.86952304840088,-0.32766792178154,7.40685415267944,11.0431432723999,-0.036921925842762,8.03965854644775,0.0,76.8093032836914,3.19980955123901,0.112313844263554,334.211730957031,5.90913867950439,85.0026016235352,-0.0099572381004691,3.0,599.362548828125,7.26711702346802,0.141055136919022,2.0,22.4231281280518,286.0,1.46335124969482,6.35423755645752,0.41325432062149,2.32610321044922,0.446000009775162,0.269337564706802,2.4907500743866,0.0,49.17,5.0,5.78000020980835,0.330660581588745,88.7248840332031,0.0975683629512787,6.0,0.0,0.0,2.88000011444092,0.415894269943237,159.778060913086,-159.115814208984,11.7990818023682,0.113880850374699,0.190614104270935,912.185180664062,70.066,37.2208442687988,0.781547605991364,-13.3404703140259,6.8778018951416,0.0,0.0294627826660872,48.650577545166,0.637939214706421,5.35858964920044,0.136699184775352,0.0,0.100940354168415,0.0,0.48398819565773,3.77241659164429,0.118254959583282,2.91507625579834,0.765975058078766,1.63957619667053
InChI%3D1S%2FC9H12NO5PS%2Fc1-7-6-8%284-5-9%287%2910%2811%2912%2915-16%2817%2C13-2%2914-3%2Fh4-6H%2C1-3H3,,0.720294833183289,12.2500705718994,6.0,1.65096366405487,5.0,265.141997337341,0.928979456424713,0.413613945245743,1.0,0.268966674804688,1.18160712718964,33.0105018615723,,2.59195876121521,159.555358886719,796.617309570312,1.67333376407623,32.4600944519043,-205.171493530273,900.247680664062,4.08432865142822,8.4765043258667,41.1643333435059,-21.8175430297852,1205.74035644531,37.6506958007812,1163.7509765625,31.6485385894775,1.5,5.0,0.673233807086945,0.254841208457947,569.080017089844,0.86570817232132,,6.25,0.0309513341635466,4.0,2.07639455795288,913.38818359375,2.36193585395813,1.6003999710083,,0.0710205659270287,0.444444447755814,160.514572143555,0.665194392204285,1.57000005245209,206.404922485352,0.326766192913055,0.0,7.3795166015625,1.83601915836334,103.730003356934,-0.42018711566925,26.4624843597412,0.0,-0.0446818955242634,0.232307806611061,0.800000011920929,3.9424901008606,0.294117647058824,453.607666015625,2.40138983726501,0.211587250232697,0.0,35.0493240356445,0.470208436250687,3.9731,0.984835684299469,-0.380379468202591,1.65096366405487,,0.348315328359604,5.85380077362061,1.0,38.7808990478516,3.5762243270874,-0.233015611767769,328.730651855469,4.84273242950439,73.2601852416992,-0.00694260140880942,5.0,422.713165283203,4.54367780685425,0.0964571759104729,3.0,15.1131029129028,233.0,2.21410799026489,,0.599397778511047,2.25105738639832,3.59200000762939,0.0,1.68820190429688,7.0,115.41,2.0,6.25,0.0680413842201233,77.9086532592773,0.0,14.0,0.5,0.0,4.0,0.155437618494034,169.175277709961,-100.18236541748,11.2868919372559,0.0240562614053488,0.242256984114647,627.884643554688,69.158,34.6783485412598,1.22706735134125,-10.6532011032104,7.13374519348145,0.825481832027435,0.111803397536278,36.9306488037109,0.829289317131042,6.25799083709717,0.0446354746818542,0.0,0.0480260848999023,2.0,0.408741593360901,4.47626686096191,0.23130239546299,2.09586048126221,2.56128025054932,1.16360104084015
InChI%3D1S%2FC11H21NOS%2Fc1-3-12%2811%2813%2914-4-2%2910-8-6-5-7-9-10%2Fh10H%2C3-9H2%2C1-2H3,0.261421263217926,0.932142496109009,12.402247428894,3.0,0.5,0.0,194.193997383118,0.946507453918457,0.497749954462051,0.0,0.297805637121201,1.36702847480774,21.2622108459473,-0.26749187707901,1.97652459144592,101.588333129883,964.311828613281,1.37939929962158,18.1702175140381,-92.4194869995117,1049.00427246094,6.65525722503662,9.05869483947754,24.3916702270508,-10.6316032409668,1281.53381347656,22.8344020843506,1282.19982910156,23.670093536377,0.0,5.0,0.79822963476181,1.03002798557281,1043.03002929688,0.726185500621796,31.9720726013184,6.47750865051903,0.0244505237787962,3.59183673469388,3.22427701950073,1063.06201171875,1.17348229885101,-0.310799986124039,11.8900003433228,0.0534925721585751,0.5,202.348846435547,0.4892817735672,2.33999991416931,184.085861206055,0.20177036523819,0.0,6.19813537597656,0.538451671600342,45.6100006103516,-0.183559596538544,28.1753463745117,0.0,-0.0211160331964493,0.164266422390938,1.0,3.43205499649048,0.357142857142857,476.552185058594,2.11403369903564,0.159368261694908,0.0,32.9901924133301,0.206883445382118,3.5141,0.597758710384369,-0.173496082425117,7.47801208496094,10.7589454650879,0.13592617213726,5.72054958343506,0.0,53.1730003356934,1.4800351858139,-0.0589711889624596,401.896545410156,2.53214144706726,69.8687210083008,-0.0123607590794563,5.0,365.623413085938,2.84669256210327,0.11022424697876,0.0,12.3104696273804,166.0,0.930532336235046,6.02743482589722,0.377273172140121,1.62101149559021,2.97699999809265,0.0,1.89332687854767,8.0,45.61,2.0,6.47750854492188,0.102062076330185,51.1481895446777,0.0,3.0,0.0,1.0,3.59183669090271,0.0589255653321743,300.308227539062,-46.5318145751953,10.1073045730591,0.102062076330185,0.293951064348221,458.042907714844,62.781,26.9327011108398,0.332189947366714,-5.35285186767578,6.71126556396484,0.0,0.0,22.9420738220215,0.763494312763214,4.99203586578369,0.0456435456871986,0.0,0.0912870913743973,1.0,0.512844324111938,3.62861251831055,0.28730434179306,2.82641243934631,0.0965966433286667,1.89902973175049
InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H,0.27433830499649,0.0,2.12397623062134,0.0,0.0,0.0,162.820997238159,0.924281597137451,0.0,0.0,0.0446100309491158,0.479520052671432,62.6835975646973,-0.125714510679245,0.810129880905151,234.852874755859,228.361831665039,1.14698350429535,12.5561504364014,-79.7253799438477,194.132553100586,24.3019962310791,0.834326267242432,47.9866561889648,-26.2065029144287,135.155410766602,0.0,0.0,0.0,0.0,0.0,0.192212015390396,15.6364164352417,4.03000020980835,0.0652501136064529,78.9185180664062,1.33333333333333,0.0297142062336206,0.0,0.0,0.0,0.0,1.82099997997284,11.9998188018799,0.0757184252142906,0.5,16.2471618652344,0.343090027570724,1.24000000953674,5.51541566848755,0.807787954807281,3.0,2.51166152954102,0.577350258827209,0.0,-0.274219363927841,3.22320699691772,0.0,-0.0901385545730591,0.0,1.0,0.0,0.0,268.721710205078,0.0,0.381421357393265,0.0,1.46446228027344,0.129209727048874,2.1425,0.0,-0.09635528922081,0.0,9.64176177978516,0.031750425696373,0.0,0.0,24.172700881958,0.0,0.0,55.8829116821289,0.0,3.91255211830139,0.0,0.0,18.9705429077148,0.0,0.225765258073807,0.0,8.63898277282715,9.0,0.0,6.52099990844727,0.400000005960464,0.0,2.41199994087219,0.0,0.0,3.0,0.0,0.0,1.33333337306976,0.0,68.2801284790039,0.0,0.0,0.0,0.0,,0.0,-178.969955444336,-23.1790218353271,4.80909824371338,0.0,0.36738058924675,98.6959228515625,24.421,22.0140552520752,1.4578629732132,-7.61916828155518,2.4432008266449,0.0,0.0,34.8454856872559,0.487032920122147,3.31373596191406,0.0,0.0,0.0,0.0,0.403893411159515,0.0,0.710292398929596,0.0,3.31604099273682,0.0
InChI%3D1S%2FC6H3Cl4N%2Fc7-5-3-1-2-4%2811-5%296%288%2C9%2910%2Fh1-3H,0.336946785449982,0.24280709028244,6.12450456619263,1.0,0.5,4.0,227.884994506836,0.977395832538605,0.165980935096741,0.0,0.237647116184235,0.29002657532692,42.2110023498535,-0.227811336517334,1.85234868526459,294.364562988281,797.747131347656,1.17664873600006,19.1393203735352,-228.005889892578,889.320190429688,2.47686171531677,3.98212933540344,49.8860397338867,-30.0695629119873,1154.87866210938,30.2516899108887,914.636352539062,24.613899230957,0.0,1.0,0.210073724389076,0.0,86.0500030517578,0.162716761231422,34.9720077514648,3.1640625,0.0151340449228883,2.5,0.0,587.211547851562,0.0,2.59060001373291,11.9985628128052,0.0226041525602341,0.400000005960464,29.1722297668457,0.596815407276154,1.57000005245209,22.5959281921387,0.789926290512085,4.0,2.10161375999451,1.7990380525589,,-0.611853063106537,6.27962112426758,0.0,-0.0806915685534477,0.433012694120407,0.666666686534882,2.22068309783936,0.0909090909090909,364.224731445312,1.76329302787781,0.302448719739914,0.0,9.06844520568848,0.240633562207222,3.5617,0.426776707172394,-0.139710411429405,2.38110160827637,11.7168521881104,-0.0379353202879429,3.30192732810974,0.0,53.1637001037598,2.21394371986389,0.115531235933304,78.283576965332,2.48772692680359,17.3322715759277,-0.0812270641326904,1.0,60.636100769043,3.2981743812561,0.0473551079630852,0.0,5.63967370986938,89.0,1.43480038642883,6.24336957931519,0.436976194381714,1.4123170375824,2.19600009918213,0.0,1.61534452438354,3.0,12.89,1.0,3.1640625,0.0833333358168602,109.694396972656,0.0,6.0,0.0,0.0,2.5,0.125,-216.080963134766,-84.9659729003906,8.2148380279541,0.0215165745466948,0.294045507907867,288.641998291016,48.484,8.42339515686035,1.90415191650391,-11.2053661346436,4.20901727676392,0.0,0.364465743303299,35.7092361450195,0.609693706035614,4.51179122924805,0.035155788064003,0.0,0.248977497220039,0.0,0.142857149243355,1.79692077636719,0.399980425834656,1.04569065570831,6.71120834350586,0.757674813270569
InChI%3D1S%2FC10H18N4O4S3%2Fc1-7%2819-5%2911-17-9%2815%2913%283%2921-14%284%2910%2816%2918-12-8%282%2920-6%2Fh1-6H3,0.375433027744293,0.427973181009293,21.2318840026855,11.0,1.17598414421082,0.0,336.334999084473,0.878476619720459,0.212782487273216,0.0,0.309942483901978,1.32136261463165,43.9210891723633,-0.243695974349976,4.05900907516479,293.02880859375,1341.61596679688,1.26336824893951,34.3384819030762,-475.947082519531,1395.75463867188,5.4724006652832,15.8515119552612,44.6973533630371,-34.8711166381836,1618.982421875,46.1549682617188,1580.68005371094,33.7734718322754,0.16666667163372,10.0,0.634526550769806,1.43509519100189,1024.10998535156,1.03061902523041,31.9743118286133,11.552,0.0368268042802811,9.58579881656805,0.0,1414.15063476562,5.14380168914795,2.10220003128052,11.9984607696533,0.121523387730122,0.5,407.904846191406,0.492965489625931,1.35000002384186,662.532531738281,0.365473419427872,0.0,23.6740779876709,1.52015936374664,159.699996948242,-0.593613982200623,36.2257270812988,0.125,-0.0434921942651272,0.333333343267441,1.0,3.12315368652344,0.5,704.343872070312,2.3307478427887,0.191175177693367,2.0,90.6504516601562,0.605052053928375,3.0792,0.624482095241547,-0.452640533447266,0.0,10.3209218978882,0.20611684024334,0.0,0.0,86.9989013671875,3.20057320594788,-0.0712106227874756,508.749908447266,2.72750449180603,196.900695800781,0.17953260242939,10.0,826.328369140625,3.48418974876404,0.0622348301112652,2.0,29.526948928833,416.0,1.66264796257019,5.13904190063477,0.38742795586586,1.13448333740234,2.70099997520447,0.0,0.998708009719849,21.0,159.7,4.0,11.5520000457764,0.0,234.944274902344,0.0,6.0,0.16666667163372,3.0,9.58579921722412,0.0,215.721084594727,-381.604248046875,15.0960817337036,0.0,0.149421900510788,1302.27551269531,89.327,97.4348678588867,1.16998076438904,-27.9589195251465,8.74017906188965,1.15470051765442,0.0,64.398063659668,0.790872693061829,6.67671966552734,0.0,0.0,0.0912870913743973,2.0,0.382974773645401,3.97332954406738,0.230469509959221,1.43757474422455,4.41924476623535,0.721085786819458
InChI%3D1S%2FC8H8O3%2Fc1-11-8%2810%296-4-2-3-5-7%286%299%2Fh2-5%2C9H%2C1H3,0.295562505722046,0.131597489118576,8.32954502105713,3.0,2.38110160827637,5.0,144.08499622345,0.747824192047119,0.0500529184937477,0.0,0.314655601978302,0.08452208340168,13.3234071731567,-0.38532742857933,1.97392392158508,122.287590026855,471.500305175781,1.1044909954071,12.3283681869507,-138.493896484375,517.327819824219,10.7691049575806,6.27109861373901,16.1028366088867,-25.0293598175049,646.600219726562,16.6567363739014,574.255432128906,13.2093982696533,0.0,2.0,0.641879618167877,2.00236940383911,251.029998779297,0.726945519447327,15.9987030029297,4.13265306122449,0.0467076376080513,2.21453287197232,0.80820620059967,341.733489990234,1.04004192352295,0.655900001525879,11.9962921142578,0.252175837755203,0.5,74.8445816040039,0.546955645084381,2.00999999046326,84.7634506225586,0.3581203520298,0.0,5.446213722229,0.607487261295319,46.5299987792969,-0.405580669641495,11.6196556091309,0.0,-0.0732987150549889,0.19245009124279,1.0,2.49305462837219,0.181818181818182,255.360000610352,1.62917327880859,0.236978605389595,0.0,13.0755586624146,0.340864390134811,1.1788,0.319417029619217,-0.202411592006683,3.96540641784668,8.44675636291504,0.106573946774006,5.55315780639648,0.0,43.3296012878418,1.5687084197998,-0.161003842949867,219.183059692383,2.29240942001343,22.4513740539551,0.117230847477913,2.0,248.230560302734,2.61361408233643,0.0101472632959485,1.0,15.9492874145508,99.0,0.367900490760803,4.4155216217041,0.45226314663887,0.404318660497665,1.22899997234344,0.0,0.365237325429916,4.0,46.53,2.0,4.13265323638916,0.0833333358168602,41.7576217651367,0.0,10.0,0.25,0.0,2.21453285217285,0.131445854902267,96.8954696655273,-47.2916030883789,6.07311105728149,0.0277777779847383,0.317501068115234,386.724456787109,39.4463,86.1106491088867,0.17838516831398,-8.54679107666016,3.11745357513428,0.70710676908493,0.0,40.978645324707,0.824077904224396,2.00873064994812,0.0263114888221025,1.0,0.0306620299816132,1.0,0.105272211134434,1.30935895442963,0.260947048664093,0.756208419799805,0.430204808712006,0.424472123384476
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H,0.286561369895935,0.0,2.06961226463318,0.0,0.0,0.0,118.369997024536,0.927456796169281,0.0,0.0,0.0434707663953304,0.450002431869507,27.1382598876953,-0.14991594851017,0.809782207012177,231.355255126953,177.885971069336,1.18534815311432,8.85521221160889,-83.3787841796875,151.20263671875,22.7199974060059,0.80982756614685,26.1382598876953,-27.7929286956787,105.975578308105,0.0,0.0,0.0,0.0,0.0,0.188949048519135,14.745135307312,4.03000020980835,0.0680958852171898,34.9710578918457,1.33333333333333,0.0306878555566072,0.0,0.0,0.0,0.0,1.6172000169754,11.9994735717773,0.0725431963801384,0.5,15.3747186660767,0.400001734495163,1.24000000953674,5.54093885421753,0.811050951480865,3.0,2.49706029891968,0.577350258827209,0.0,-0.292296975851059,2.35320711135864,0.0,-0.0974323302507401,0.0,1.0,0.0,0.0,264.560455322266,0.0,0.39127242565155,0.0,1.38461232185364,0.146240457892418,1.9864,0.0,-0.109680347144604,0.0,8.48476219177246,0.0365601144731045,0.0,0.0,21.364200592041,0.0,0.0,53.8984069824219,0.0,3.74932885169983,0.0,0.0,19.4246025085449,0.0,0.217433214187622,0.0,8.75382328033447,9.0,0.0,5.93843698501587,0.399982690811157,0.0,2.07399988174438,0.0,0.0,3.0,0.0,0.0,1.33333337306976,0.0,65.9949340820312,0.0,0.0,0.0,0.0,,0.0,-177.456848144531,-23.7841053009033,3.97903060913086,0.0,0.333333343267441,102.80339050293,21.347,20.6932125091553,0.841697573661804,-7.92803478240967,1.96396100521088,0.0,0.0,36.5467529296875,0.623540103435516,2.22692251205444,0.0,0.0,0.0,0.0,0.385363727807999,0.0,0.712559044361115,0.0,2.6153359413147,0.0
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%29,0.24744288623333,0.815415441989899,15.080020904541,6.0,2.60639142990112,9.0,264.224996566772,0.751035332679749,0.335400491952896,0.0,0.275954008102417,1.29232537746429,28.1166439056396,-0.302525997161865,3.21249914169312,192.553665161133,1372.60510253906,1.3857741355896,29.893159866333,-296.034912109375,1568.55883789062,4.16003513336182,10.5751972198486,38.7982025146484,-29.9404888153076,2181.29443359375,37.8885307312012,2038.53979492188,34.2134399414062,0.0,3.0,0.629339277744293,0.226426407694817,814.070007324219,0.96755564212799,31.9720726013184,6.18549346016647,0.040933009237051,4.23140495867769,1.73987793922424,1713.87609863281,2.90183520317078,-1.01160001754761,11.8500003814697,0.248964637517929,0.5,169.838150024414,0.545163571834564,2.00999999046326,261.111724853516,0.370660722255707,0.0,11.0464839935303,2.26496386528015,106.349998474121,-0.569859385490417,24.4208984375,1.5,-0.0576346553862095,0.348461717367172,1.0,5.23253726959229,0.15,390.153564453125,3.46826529502869,0.213030144572258,0.0,51.7910003662109,0.347420930862427,2.5572,1.05802440643311,-0.224305689334869,3.12415194511414,11.4853992462158,0.152023047208786,7.8993673324585,0.0,78.3058013916016,3.43296551704407,-0.183246836066246,326.933959960938,5.32456398010254,110.774948120117,0.144401669502258,3.0,502.633209228516,6.08337831497192,0.0856978446245193,0.0,21.2641906738281,306.0,1.23224484920502,5.72628784179688,0.480393022298813,1.48014712333679,-0.734000027179718,0.0,1.45091581344604,4.0,106.35,6.0,6.18549346923828,0.151374712586403,100.029243469238,0.0,17.0,0.5,0.0,4.23140478134155,0.309195280075073,134.380294799805,-153.786468505859,11.0421352386475,0.0422115363180637,0.196721315383911,798.668090820312,73.2131,129.334045410156,0.870458662509918,-15.5537137985229,6.40692186355591,0.0,0.0361295826733112,51.2046813964844,0.612441122531891,5.09433889389038,0.0762082859873772,0.0,0.0830857455730438,2.0,0.360217571258545,3.15368890762329,0.160878926515579,2.12812280654907,1.02333450317383,1.27753162384033
InChI%3D1S%2FC15H16F5NO2S2%2Fc1-6%282%295-7-8%2813%2822%2924-3%2910%2812%2816%2917%2921-11%2815%2818%2C19%2920%299%287%2914%2823%2925-4%2Fh6%2C12H%2C5H2%2C1-4H3,0.433998107910156,1.64914071559906,14.842342376709,5.0,15.1628198623657,2.0,385.293992996216,0.815212368965149,0.941136837005615,0.0,0.136983528733253,1.89611911773682,46.6746520996094,-0.282065600156784,5.28790044784546,319.371002197266,1735.22204589844,1.30567824840546,35.5846214294434,-673.182495117188,2032.34765625,2.75316786766052,7.65832233428955,55.6983947753906,-49.9127655029297,2895.697265625,59.3024444580078,3412.11279296875,78.2380828857422,0.0,8.0,0.517284452915192,0.0,1081.09997558594,1.09035217761993,31.9730739593506,9.27392257121987,0.0212780237197876,5.48960302457467,1.26491105556488,3591.3857421875,8.76601886749268,3.53119993209839,11.9974021911621,0.184787631034851,0.5,226.432052612305,0.450911819934845,2.00999999046326,477.282196044922,0.482715517282486,5.0,9.31407451629639,3.19125032424927,,-1.01748633384705,31.3023128509521,0.0,-0.0754409953951836,0.822137475013733,1.0,6.19296550750732,0.32,539.355346679688,5.5895562171936,0.356271296739578,0.0,65.0440292358398,0.857136726379395,5.2429,2.69234395027161,-0.430049121379852,0.0,12.4830102920532,-0.0663617625832558,4.05879878997803,0.0,90.7730026245117,5.19197750091553,0.26993465423584,342.242279052734,8.1011791229248,156.672454833984,-0.124661579728127,8.0,721.391479492188,13.5869464874268,0.127750664949417,0.0,14.0778226852417,315.0,1.84358870983124,4.07895708084106,0.469862431287766,2.78801798820496,4.32100009918213,0.0,3.97697925567627,4.0,97.63,3.0,9.27392292022705,0.0453609228134155,211.300094604492,0.0,10.0,0.16666667163372,2.0,5.48960304260254,0.133322894573212,22.8712844848633,-445.386474609375,15.4648294448853,0.0139754246920347,0.133343547582626,1394.57397460938,88.429,122.257957458496,1.16746771335602,-33.02294921875,9.48825645446777,0.0,0.0134987309575081,63.9905891418457,0.843711912631989,7.01187181472778,0.03891396895051,0.0,0.169986292719841,2.0,0.384903967380524,4.34520292282104,0.205865442752838,3.13783168792725,12.4693737030029,2.4225537776947
InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H,0.146525427699089,0.998824298381805,5.2153172492981,0.0,9.1254653930664,0.0,284.783992767334,1.0,0.28571429848671,0.0,0.0730067640542984,0.903157353401184,58.2765197753906,-0.204267740249634,2.06604957580566,306.250823974609,1161.49096679688,1.22378742694855,23.7104244232178,-303.913208007812,1349.00231933594,8.7852897644043,2.24611020088196,41.4208488464355,-50.6522026062012,1878.3134765625,90.6973724365234,1810.26770019531,69.986946105957,0.0,0.0,0.182379886507988,0.0,192.059997558594,0.180987775325775,34.9739570617676,3.39506172839506,0.0105708846822381,1.5625,0.0,871.111022949219,0.0,4.16340017318726,11.9985628128052,0.0,0.200000002980232,25.5875282287598,0.410210639238358,1.46000003814697,25.3922176361084,0.817620098590851,6.0,1.48307371139526,1.15470051765442,0.0,-0.811379194259644,9.07924175262451,0.0,-0.135229870676994,0.666666686534882,0.25,2.87293410301208,0.0,374.563720703125,1.65868926048279,0.396150320768356,0.0,8.5351333618164,0.298728197813034,3.6444,0.222222223877907,3.46944695195361e-18,0.0,11.6940746307373,-0.149364098906517,0.0,0.0,54.0810012817383,3.64273452758789,-0.0746820494532585,68.3128814697266,4.97606754302979,17.9416198730469,-3.46944695195361e-18,0.0,67.7914505004883,7.01965713500977,0.173174008727074,0.0,3.95946979522705,102.0,4.48108768463135,7.54407739639282,0.464689671993256,6.42127370834351,3.83400011062622,0.0,9.34938430786133,0.0,0.0,0.0,3.3950617313385,0.0370370373129845,114.71044921875,0.0,0.0,0.0,0.0,1.5625,0.222222223877907,-237.937942504883,-113.834861755371,10.2674617767334,0.0370370373129845,0.16666667163372,371.704650878906,57.846,0.0,1.30930733680725,-18.9724769592285,5.92792224884033,0.0,0.0,54.6116714477539,0.532800793647766,5.69027423858643,0.251976311206818,0.0,0.857142865657806,0.0,0.348887145519257,5.8567099571228,0.108260042965412,3.38137316703796,17.3339004516602,1.95223665237427
InChI%3D1S%2FC17H21ClN2O2S%2Fc1-11-15%2812-7-9-13%2818%2910-8-12%2923-17%2822%2920%2811%2916%2821%2919-14-5-3-2-4-6-14%2Fh7-11%2C14-15H%2C2-6H2%2C1H3%2C%28H%2C19%2C21%29,0.269289463758469,1.60999727249146,14.803918838501,5.0,6.71446418762207,5.0,331.718994140625,0.842674970626831,1.00985050201416,0.0,0.243556171655655,1.29571270942688,39.1094207763672,-0.335365861654282,3.76611876487732,264.425537109375,1824.99157714844,1.35519933700562,31.7864189147949,-445.89697265625,2147.73315429688,6.84021282196045,9.74208736419678,49.5980377197266,-38.6880760192871,3001.85205078125,48.5722770690918,2868.939453125,46.444953918457,0.0,3.0,0.576215207576752,0.80826884508133,1610.06005859375,0.97166347503662,34.9688529968262,7.92,0.0266654565930367,4.15879017013232,1.59977662563324,2497.15112304688,2.43554353713989,0.835500001907349,11.8999996185303,0.15732504427433,0.461538463830948,224.336898803711,0.517485678195953,2.67000007629395,378.296081542969,0.423784792423248,1.0,10.3816165924072,1.5705144405365,,-0.714622259140015,29.9153461456299,0.0,-0.062003917992115,0.367893666028976,0.857142865657806,7.12530994415283,0.12,525.796997070312,5.19036340713501,0.254400134086609,1.0,54.1926116943359,0.37355563044548,5.123,2.25192809104919,-0.308638036251068,8.24514579772949,12.5620927810669,0.294597148895264,14.9977378845215,0.0,88.7225036621094,3.59075164794922,-0.258606433868408,359.536254882812,6.22367143630981,116.53604888916,0.110896676778793,3.0,606.280883789062,8.03916931152344,0.0875249803066254,0.0,16.6382255554199,478.0,2.31317949295044,6.09434652328491,0.37585374712944,3.3968391418457,3.50999999046326,0.078567422926426,3.8081693649292,3.0,78.2,4.0,7.92000007629395,0.433252096176147,164.991424560547,0.0912870913743973,6.0,0.25,1.0,4.15879011154175,0.63140082359314,95.110740661621,-278.222686767578,14.6855134963989,0.349681824445724,0.198829129338264,1052.17785644531,93.198,98.164810180664,0.988576531410217,-24.1398811340332,9.33859729766846,0.0,0.0,55.326301574707,0.697896659374237,7.71669626235962,0.375352025032043,1.0,0.241781085729599,1.0,0.461859881877899,6.12692928314209,0.159634932875633,4.58054256439209,0.698060274124146,3.05255317687988
InChI%3D1S%2FC7H10N4O3%2Fc1-3-9-7%2813%2910-6%2812%295%284-8%2911-14-2%2Fh3H2%2C1-2H3%2C%28H2%2C9%2C10%2C12%2C13%29,0.262588202953339,0.0807488411664963,11.5600805282593,7.0,1.65096366405487,1.0,188.101996421814,0.608020961284637,0.0330535732209682,0.0,0.243490353226662,1.06163084506989,17.7633590698242,-0.34249871969223,2.89206528663635,171.654861450195,519.741088867188,1.3274405002594,15.5468530654907,-303.339752197266,538.535583496094,6.67078876495361,7.60638427734375,18.6816806793213,-44.9971656799316,616.236511230469,19.9307346343994,608.035522460938,21.285530090332,0.0,4.0,0.662253260612488,0.616624355316162,347.070007324219,1.17030036449432,15.9987077713013,8.32,0.0611055940389633,6.1875,1.03394627571106,541.029602050781,1.38959658145905,-0.285199999809265,11.996319770813,0.391979038715363,0.444444447755814,171.062149047852,0.572259843349457,1.46000003814697,302.292358398438,0.337746739387512,0.0,15.7837724685669,0.6910440325737,110.559997558594,-0.596848964691162,16.1480693817139,0.965489387512207,-0.0885360687971115,0.117851130664349,0.800000011920929,2.69957900047302,0.307692307692308,309.017791748047,1.28518486022949,0.250176936388016,3.0,33.1436386108398,0.561537504196167,0.40278,0.294512152671814,-0.271026283502579,0.16666667163372,8.12590599060059,0.0140708051621914,2.2941734790802,0.0,46.6750984191895,1.40924251079559,-0.213020637631416,336.580535888672,2.08358860015869,68.0576400756836,0.333767771720886,4.0,594.7880859375,2.03531241416931,0.0918359383940697,1.0,31.0560264587402,174.0,0.224165916442871,4.28995609283447,0.468539983034134,0.223265647888184,-0.00499999988824129,0.0,0.162394344806671,14.0,110.56,5.0,8.31999969482422,0.0,87.2410736083984,0.0,11.0,0.25,0.0,6.1875,0.0,164.925689697266,-154.168014526367,7.7986364364624,0.0,0.193743988871574,898.127868652344,50.7256,199.217620849609,0.150623053312302,-22.8691520690918,3.67940449714661,0.40824830532074,0.0,76.0531921386719,0.589257001876831,1.9440233707428,0.0,2.0,0.0111803403124213,0.0,0.286640673875809,1.00571620464325,0.148540437221527,0.526973247528076,0.0813390389084816,0.200148522853851
InChI%3D1S%2FC15H16O2%2Fc1-15%282%2C11-3-7-13%2816%298-4-11%2912-5-9-14%2817%2910-6-12%2Fh3-10%2C16-17H%2C1-2H3,0.107205785810947,0.683928191661835,11.3145961761475,2.0,1.53261888027191,10.0,212.162994384766,0.738186597824097,0.29303315281868,0.0,0.234601125121117,1.24889779090881,18.5489387512207,-0.361399173736572,2.75494360923767,166.567291259766,1127.13549804688,1.51980936527252,18.6641845703125,-207.857025146484,1306.22314453125,10.1906709671021,7.31075477600098,27.3283672332764,-29.5761337280273,1830.11389160156,27.3283672332764,1779.255859375,20.6641845703125,0.0,2.0,0.667437493801117,3.79133152961731,884.02001953125,0.832886099815369,15.995922088623,5.32544378698225,0.05336544662714,3.0625,4.61880207061768,1324.34594726562,2.52982211112976,2.20359992980957,11.8500003814697,0.261813402175903,0.5,167.433929443359,0.445204615592957,2.89000010490417,208.938507080078,0.332562506198883,0.0,13.387300491333,1.77670896053314,40.4599990844727,-0.415000170469284,17.4913120269775,0.0,-0.059050690382719,0.622008442878723,1.0,4.3415265083313,0.111111111111111,369.728210449219,3.3709614276886,0.243485808372498,0.0,32.7117462158203,0.112190566956997,3.4237,1.08662402629852,-0.0363869480788708,8.69190216064453,11.4981927871704,-0.0228597111999989,12.3619976043701,0.0,76.3070983886719,3.72806739807129,0.000379105564206839,334.292816162109,4.81010866165161,69.1800384521484,0.0169616639614105,2.0,417.159393310547,5.96599149703979,0.110379353165627,0.0,26.7286224365234,262.0,1.93594992160797,4.84992504119873,0.553744375705719,2.15356278419495,3.09200000762939,0.0,2.17992687225342,3.0,40.46,0.0,5.32544374465942,0.16666667163372,83.4269104003906,0.0,7.0,0.100000001490116,0.0,3.0625,0.25,167.725524902344,-104.107292175293,10.0132293701172,0.0555555559694767,0.288807719945908,625.016418457031,68.3416,131.131896972656,1.06573784351349,-14.8135061264038,5.58994817733765,0.0,0.125,56.3047561645508,0.74764883518219,4.71874809265137,0.0526229776442051,2.0,0.333333343267441,0.0,0.520860314369202,3.17798519134521,0.174523904919624,1.92286026477814,4.85585308074951,1.19927704334259
InChI%3D1S%2FC9H16ClN5%2Fc1-5%282%2911-8-13-7%2810%2914-9%2815-8%2912-6%283%294%2Fh5-6H%2C1-4H3%2C%28H2%2C11%2C12%2C13%2C14%2C15%29,0.20998227596283,0.528456151485443,11.6584491729736,3.0,3.39504766464233,0.0,213.586996078491,0.908353388309479,0.155965015292168,0.0,0.222482681274414,0.641608357429504,24.5126934051514,-0.26040056347847,3.67228674888611,166.746963500977,905.2041015625,1.19780373573303,18.6135902404785,-248.303833007812,991.804870605469,1.56482744216919,7.34455347061157,28.0692024230957,-22.3100910186768,1260.39147949219,22.7315120697021,1138.63293457031,27.7362632751465,0.0,2.0,0.692434132099152,2.11730289459229,879.059997558594,1.03110754489899,34.9693794250488,5.915,0.039050318300724,5.04,0.0,1047.705078125,5.71476173400879,0.470499992370605,11.9985370635986,0.0916466042399406,0.5,203.525177001953,0.481755197048187,1.78999996185303,303.070465087891,0.307565838098526,1.0,11.4779481887817,1.51341998577118,,-0.457998007535934,24.7177257537842,4.0612621307373,-0.0411511026322842,0.0,1.0,3.61638426780701,0.133333333333333,492.464202880859,2.24336266517639,0.314989328384399,2.0,34.0398025512695,0.357147037982941,1.0094,0.716638624668121,-0.330898225307465,0.0,9.35279369354248,0.350153028964996,0.0,0.0,59.4832000732422,1.51184463500977,-0.387172669172287,375.403503417969,2.84965133666992,63.0032691955566,0.27184471487999,2.0,559.015441894531,3.07304763793945,0.0550337694585323,0.0,21.1711483001709,181.0,0.606863439083099,5.87282800674438,0.422945559024811,0.84347414970398,2.71000003814697,0.0,0.767728567123413,4.0,69.19,5.0,5.91499996185303,0.0680413842201233,90.4019470214844,0.0,7.0,0.0,0.0,5.03999996185303,0.164266422390938,208.656539916992,-134.618041992188,10.2603712081909,0.0180421955883503,0.174198925495148,807.319274902344,59.3464,49.6862525939941,0.791864573955536,-12.0954256057739,5.5050163269043,0.0,0.0,43.4812393188477,0.969208717346191,4.35557508468628,0.0365953594446182,0.0,0.0,0.0,0.293103009462357,1.75650143623352,0.117292188107967,1.32265496253967,0.221370249986649,0.715730845928192
InChI%3D1S%2FC22H19Br2NO3%2Fc1-22%282%2917%2812-19%2823%2924%2920%2822%2921%2826%2928-18%2813-25%2914-7-6-10-16%2811-14%2927-15-8-4-3-5-9-15%2Fh3-12%2C17-18%2C20H%2C1-2H3,0.267448753118515,1.34226477146149,23.7497711181641,4.0,7.59643507003784,12.0,486.053990364075,0.863049566745758,0.571451723575592,0.0,0.326986134052277,1.32383239269257,117.199577331543,-0.310028165578842,4.1548867225647,379.973083496094,1971.08813476562,1.35830199718475,43.1319961547852,-717.682983398438,2281.1796875,1.56523048877716,18.2710514068604,98.1608352661133,-45.355770111084,2876.61352539062,54.6780128479004,2757.84741210938,67.4264526367188,0.200000002980232,7.0,0.491306036710739,0.427298009395599,1645.06005859375,0.927965641021729,78.9193344116211,9.87128177393186,0.0269611459225416,5.3890306122449,2.62408518791199,2702.3046875,3.7276782989502,3.65490007400513,11.8500003814697,0.136950463056564,0.466666668653488,274.122467041016,0.552099108695984,3.22000002861023,517.755187988281,0.508693933486938,2.0,15.0428762435913,2.51029205322266,59.3199996948242,-0.960807502269745,28.8009338378906,0.0,-0.0607206337153912,0.365450888872147,0.875,7.76993560791016,0.233333333333333,644.661865234375,6.08528327941895,0.174944296479225,0.0,105.602340698242,0.536445260047913,6.49018,2.44967555999756,-0.258158951997757,12.9015808105469,11.9359197616577,-0.00556599581614137,18.8104515075684,0.0,123.634902954102,4.28947687149048,0.081038810312748,366.985046386719,6.53918361663818,229.849731445312,-0.149652361869812,7.0,693.151489257812,8.57184410095215,0.0557408481836319,2.0,20.1388473510742,680.0,2.83225297927856,4.58015823364258,0.405018270015717,3.18116474151611,4.24399995803833,0.496193736791611,4.53275346755981,6.0,59.32,3.0,9.87128162384033,1.11689782142639,283.824005126953,0.407229274511337,13.0,0.0,0.0,5.79561042785645,1.35620033740997,-12.9880475997925,-536.079162597656,18.6054344177246,0.660349726676941,0.164063066244125,1410.83447265625,114.102,102.296264648438,2.54304909706116,-33.8788642883301,10.3705348968506,0.534522473812103,0.16666667163372,65.4946212768555,0.9461207985878,9.9875831604004,0.958907663822174,0.0,0.213089123368263,1.0,0.401184618473053,5.32317113876343,0.141532972455025,3.59800577163696,13.3582935333252,2.79886937141418
InChI%3D1S%2FC13H17F3N4O4%2Fc1-3-5-18%286-4-2%2911-9%2819%2821%2922%297-8%2813%2814%2C15%2916%2910%2817%2912%2811%2920%2823%2924%2Fh7H%2C3-6%2C17H2%2C1-2H3,,0.937587320804596,13.934175491333,6.0,6.08364343643188,5.0,333.160991668701,0.966933190822601,0.425868809223175,0.0,0.219343647360802,2.24533438682556,33.0439605712891,,2.96895241737366,291.973510742188,1269.35473632812,1.34782230854034,28.9563312530518,-527.010925292969,1493.89025878906,3.3042311668396,8.71988868713379,45.7906455993652,-42.8833656311035,2124.94848632812,50.0554466247559,2477.98974609375,63.384033203125,0.0,8.0,0.514364421367645,0.0,1129.10998535156,0.92842561006546,,9.08734693877551,0.0225632395595312,5.25,3.34162521362305,2483.81689453125,1.8851683139801,-0.181999996304512,,0.0330667831003666,0.444444447755814,185.924621582031,0.504803419113159,1.67999994754791,335.593139648438,0.485635548830032,3.0,8.15581607818604,2.86796498298645,97.5400009155273,-0.876570105552673,26.0255184173584,0.0,-0.0713273137807846,0.87089216709137,0.800000011920929,6.41428518295288,0.333333333333333,581.338989257812,4.95415544509888,0.213069826364517,0.0,52.1342926025391,0.491315126419067,4.7768,2.03678464889526,-0.188489630818367,3.58146524429321,,0.0322883389890194,7.89949941635132,0.0,46.3712997436523,4.8773980140686,-0.0117731476202607,309.245880126953,8.20627689361572,124.197776794434,0.0456072092056274,8.0,558.1875,12.307671546936,0.161138653755188,0.0,13.5654573440552,322.0,1.29876804351807,,0.406247079372406,1.8911052942276,4.6729998588562,0.0,2.38339185714722,7.0,120.9,2.0,9.08734703063965,0.0453609228134155,175.540130615234,0.0,14.0,1.44224953651428,0.0,5.25,0.146608799695969,17.2723693847656,-316.849182128906,13.0916547775269,0.0180421955883503,0.166205540299416,1085.19848632812,86.2954,19.8803901672363,0.641170024871826,-25.7823104858398,7.13075828552246,0.0,0.0134987309575081,56.4488220214844,0.832275927066803,5.05316877365112,0.0436439104378223,0.0,0.14286008477211,4.0,0.436771780252457,3.28121733665466,0.231726557016373,2.40479063987732,0.0331239998340607,1.59360158443451
InChI%3D1S%2FC11H12NO4PS2%2Fc1-15-17%2818%2C16-2%2919-7-12-10%2813%298-5-3-4-6-9%288%2911%2812%2914%2Fh3-6H%2C7H2%2C1-2H3,0.316567331552505,2.15002489089966,18.733325958252,7.0,4.24264049530029,4.0,305.231998443604,0.788129508495331,1.42089140415192,1.0,0.362516462802887,0.809410572052002,40.3637847900391,-0.349231123924255,2.62462162971497,201.930053710938,1300.15625,1.51308596134186,40.1371078491211,-331.394836425781,1524.54992675781,2.56341123580933,15.2992935180664,55.0812911987305,-36.8076820373535,2135.51782226562,49.0133743286133,2038.60131835938,40.2656517028809,0.5,5.0,0.698724865913391,0.945385873317719,682.080017089844,1.14670300483704,31.9730739593506,6.18549346016647,0.0437002032995224,3.02958579881657,1.369793176651,1513.23364257812,1.23442685604095,1.82260000705719,11.9885530471802,0.21187050640583,0.444444447755814,313.892944335938,0.607692658901215,1.78999996185303,515.141235351562,0.301275134086609,0.0,19.6317405700684,1.71992516517639,,-0.494433701038361,27.1864833831787,0.0,-0.0549162402749062,0.36982524394989,0.800000011920929,5.25214529037476,0.25,528.244812011719,3.74999094009399,0.140104413032532,0.0,54.6626625061035,0.626493692398071,3.0791,1.76668429374695,-0.464217036962509,4.28426074981689,11.3707103729248,0.44041919708252,8.50282955169678,1.0,81.9688034057617,4.3177433013916,-0.508147478103638,468.321258544922,6.15716695785522,105.897750854492,0.384630620479584,5.0,768.579223632812,6.82261848449707,0.0432069860398769,2.0,29.2901191711426,283.0,4.90544033050537,5.35911321640015,0.486399680376053,4.91610479354858,1.54499995708466,0.0641500279307365,3.25735235214233,8.0,123.04,5.0,6.18549346923828,0.347716152667999,135.343887329102,0.0279508493840694,11.0,0.25,1.0,3.02958583831787,0.624990701675415,266.391204833984,-222.117828369141,12.8878450393677,0.102638646960258,0.197826385498047,1099.97412109375,75.7092,142.006484985352,2.5055718421936,-24.6703987121582,9.56334209442139,0.666666686534882,0.335410207509995,66.0978012084961,0.755034685134888,10.1479082107544,0.149904772639275,0.0,0.079460509121418,2.0,0.41899362206459,8.28730201721191,0.14735908806324,4.34345674514771,3.32187080383301,2.91153860092163
InChI%3D1S%2FC6H7NO%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4%2C8H%2C7H2,0.114080764353275,0.0569202154874802,5.58949565887451,2.0,0.333333343267441,6.0,102.071997642517,0.70367705821991,0.0,0.0,0.261809587478638,0.00878725666552782,9.13445663452148,-0.360429763793945,1.76636528968811,123.574684143066,339.597503662109,1.24115169048309,8.49827766418457,-99.7701263427734,360.166748046875,22.5902633666992,3.81434345245361,10.9965543746948,-26.6546630859375,425.971496582031,7.99655437469482,281.844970703125,2.49827718734741,0.0,0.0,0.61169707775116,5.93158388137817,169.020004272461,0.493864059448242,15.9949169158936,2.52,0.059483990073204,1.8,0.0,71.7566528320312,0.0,-0.356400012969971,11.8500003814697,0.296322911977768,0.400000005960464,61.9518356323242,0.502839624881744,1.89999997615814,50.0178680419922,0.388302892446518,0.0,6.02445650100708,0.577350258827209,46.25,-0.313502937555313,6.9924488067627,0.0,-0.083755686879158,0.0,0.666666686534882,1.4267463684082,0.0,223.940322875977,1.30473780632019,0.316015124320984,0.0,6.7865629196167,0.0707517489790916,0.9744,0.0,-0.0212392676621675,3.30192732810974,7.39219903945923,-0.00484593026340008,5.65685415267944,0.0,36.1110992431641,0.81649661064148,-0.00194008101243526,194.668334960938,0.760079681873322,12.4352626800537,-0.026567917317152,0.0,157.168792724609,1.13807117938995,0.00157210172619671,0.0,18.9303646087646,58.0,0.197177410125732,4.66230869293213,0.472330629825592,0.155508920550346,0.243000000715256,0.0,0.163530826568604,0.0,46.25,1.0,2.51999998092651,0.0833333358168602,39.3267822265625,0.0,8.0,0.0,0.0,1.79999995231628,0.16666667163372,71.0936431884766,-31.7511463165283,4.33396482467651,0.0277777779847383,0.446386635303497,256.938903808594,32.5192,94.3027038574219,0.17076064646244,-8.4826602935791,2.33364915847778,0.0,0.0,45.5850257873535,0.675069749355316,1.5915322303772,0.0284601077437401,1.0,0.0,0.0,0.265981435775757,0.893088161945343,0.269748449325562,0.474321842193604,0.127020955085754,0.308288514614105
InChI%3D1S%2FC11H10ClNO3S%2Fc1-2-16-9%2814%296-13-10-7%2812%294-3-5-8%2810%2917-11%2813%2915%2Fh3-5H%2C2%2C6H2%2C1H3,0.276840150356293,1.07084047794342,10.5479145050049,3.0,4.42733764648438,6.0,261.644995689392,0.820947527885437,0.577621519565582,0.0,0.194178491830826,1.83236885070801,33.5239028930664,-0.31495663523674,2.46866989135742,214.298980712891,1234.04528808594,1.47447979450226,25.1182308197021,-295.883636474609,1460.82434082031,0.428652256727219,6.24687528610229,39.7356758117676,-30.2405986785889,2070.79956054688,39.1227722167969,1913.92236328125,42.0643920898438,0.0,4.0,0.529053509235382,0.674104034900665,512.059997558594,0.730466723442078,34.9693794250488,5.76,0.0294138453900814,2.87970615243343,1.0628536939621,1506.08862304688,0.90000730752945,1.41250002384186,11.9985275268555,0.179052472114563,0.444444447755814,109.546028137207,0.586687505245209,2.00999999046326,151.250732421875,0.470946490764618,1.0,6.09044218063354,1.17394018173218,,-0.65023809671402,19.44407081604,0.0,-0.06645717471838,0.275708943605423,0.800000011920929,5.0944881439209,0.222222222222222,373.563049316406,3.79892492294312,0.234043419361115,0.0,31.3915672302246,0.512093722820282,2.2795,1.55003225803375,-0.327829599380493,2.9685697555542,11.4904689788818,0.0792026743292809,8.82600879669189,0.0,70.4076995849609,2.61252236366272,0.179964393377304,240.73991394043,4.58618640899658,70.1973114013672,-0.339133769273758,4.0,332.390777587891,6.51299381256104,0.173718601465225,1.0,13.3844432830811,246.0,1.37785613536835,4.63373327255249,0.510999321937561,2.3014349937439,1.14199995994568,0.078567422926426,2.72827172279358,6.0,76.54,4.0,5.76000022888184,0.303080826997757,97.5143661499023,0.0684653222560883,9.0,0.200000002980232,1.0,2.87970614433289,0.564138054847717,26.4409446716309,-134.638565063477,10.6768608093262,0.174180537462234,0.22805443406105,628.2744140625,67.728,81.4758377075195,0.646127700805664,-13.760648727417,6.26085758209229,0.63245552778244,0.0,43.6250419616699,0.404796004295349,4.74610614776611,0.294904977083206,0.0,0.135417431592941,2.0,0.376793026924133,3.47922301292419,0.200327754020691,2.80981612205505,1.99515628814697,1.77165150642395
InChI%3D1S%2FC14H18N2O4%2Fc1-10-5-4-6-11%282%2913%2810%2916%2812%2817%299-19-3%2915-7-8-20-14%2815%2918%2Fh4-6H%2C7-9H2%2C1-3H3,0.421124428510666,0.69880086183548,11.007851600647,6.0,4.25141477584839,4.0,260.163993835449,0.802662372589111,0.323824316263199,0.0,0.112607546150684,2.15033149719238,23.8178520202637,-0.374778240919113,3.53547978401184,176.226669311523,1229.58532714844,1.41095876693726,24.0172805786133,-314.538848876953,1441.04516601562,3.14484214782715,5.32204008102417,33.7606239318848,-32.6238632202148,2020.59594726562,36.3140907287598,2108.85620117188,38.8714981079102,0.16666667163372,5.0,0.665415108203888,0.518849909305573,1141.06005859375,1.187668800354,16.0062847137451,7.31985731272295,0.0360979102551937,3.62130177514793,4.06585550308228,2047.97839355469,4.62200880050659,0.900200009346008,11.9884958267212,0.197337612509727,0.5,184.596420288086,0.4332654774189,2.33999991416931,329.477661132812,0.334584891796112,0.0,10.0141172409058,1.30111408233643,,-0.597185134887695,28.0657253265381,0.0,-0.0619398392736912,0.414325267076492,1.0,5.9467568397522,0.238095238095238,422.764221191406,4.19391441345215,0.321178019046783,0.0,37.8625679016113,0.697533071041107,1.5879,1.5664256811142,-0.454382598400116,4.15956974029541,11.1336193084717,-0.00527224410325289,9.96413612365723,0.0,76.3840026855469,3.23993349075317,0.303887844085693,350.475738525391,5.73395729064941,89.3309783935547,-0.180739358067513,5.0,625.548034667969,8.35338401794434,0.195345252752304,2.0,19.0128555297852,256.0,1.17084240913391,4.5610728263855,0.485807329416275,1.79791593551636,0.0769999995827675,0.117851130664349,2.12799715995789,6.0,59.08,6.0,7.31985712051392,0.253933906555176,92.8190078735352,0.0456435456871986,13.0,0.200000002980232,0.0,3.62130188941956,0.321975260972977,174.249084472656,-165.668380737305,11.8807916641235,0.0631025731563568,0.209937706589699,940.0869140625,71.1122,103.938194274902,0.567105054855347,-17.1830673217773,6.38258934020996,1.09204828739166,0.0,51.63671875,0.668045341968536,4.6164813041687,0.0876165553927422,0.0,0.120946258306503,2.0,0.491885900497437,3.13614439964294,0.198774933815002,2.27128291130066,0.810360014438629,1.29280471801758
InChI%3D1S%2FC14H17Cl2NO2%2Fc1-14%287-3-2-4-8-14%2913%2819%2917-9-5-6-10%2818%2912%2816%2911%289%2915%2Fh5-6%2C18H%2C2-4%2C7-8H2%2C1H3%2C%28H%2C17%2C19%29,0.167016819119453,0.898856818675995,11.7183218002319,3.0,4.83240985870361,6.0,285.064992904663,0.774471819400787,0.389593929052353,0.0,0.262007266283035,1.63564622402191,36.3344345092773,-0.358425915241241,2.08285427093506,229.800521850586,1358.80993652344,1.34013569355011,24.9000301361084,-352.231903076172,1571.0166015625,12.2223453521729,7.99982118606567,38.8552474975586,-43.7811546325684,2178.38159179688,54.7174377441406,2131.93432617188,35.388484954834,0.0,2.0,0.588756084442139,3.0679304599762,1027.05004882812,0.902429044246674,34.970157623291,6.18549346016647,0.0401538498699665,3.36596055514974,2.11710906028748,1527.48059082031,1.13216090202332,0.582300007343292,11.9985179901123,0.225528195500374,0.5,183.839309692383,0.474774420261383,2.45000004768372,281.783813476562,0.411243945360184,2.0,12.5380563735962,1.79397916793823,52.8199996948242,-0.630343377590179,20.7445182800293,0.0,-0.0783494040369987,0.734156131744385,1.0,4.87365961074829,0.1,432.769958496094,3.66019463539124,0.177743390202522,1.0,33.1541519165039,0.254031389951706,5.2574,1.25035417079926,-0.0880661234259605,6.93297576904297,10.8565378189087,-0.0435420349240303,8.69058513641357,0.0,76.3860015869141,4.62356662750244,-0.00631338218227029,328.9931640625,5.86200761795044,72.1263656616211,-0.0152223883196712,2.0,504.271667480469,7.35163402557373,0.139580249786377,0.0,22.4377193450928,306.0,2.42541885375977,5.49451732635498,0.489895701408386,2.76627659797668,3.8840000629425,0.0,2.79258990287781,3.0,52.82,2.0,6.18549346923828,0.143943905830383,128.411087036133,0.0,10.0,0.142857149243355,0.0,3.36596059799194,0.345369756221771,99.1926574707031,-196.824966430664,12.2996616363525,0.109221681952477,0.233754083514214,856.503540039062,79.0426,126.023735046387,1.19112622737885,-24.4646339416504,7.14611101150513,0.0,0.125,66.2188720703125,0.891249120235443,6.04443788528442,0.198461979627609,2.0,0.249260321259499,0.0,0.375465601682663,4.62678146362305,0.142971158027649,2.782062292099,0.339073300361633,1.86355423927307
InChI%3D1S%2FC8H10O%2Fc1-6-3-4-8%289%295-7%286%292%2Fh3-5%2C9H%2C1-2H3,0.0726656317710876,0.136375516653061,6.53354787826538,1.0,1.65096366405487,4.0,112.086997032166,0.826002776622772,0.0240562614053488,0.0,0.189859718084335,0.165541633963585,9.77446937561035,-0.36041197180748,2.53621363639832,92.0763244628906,441.837127685547,1.29570686817169,9.33209228515625,-59.7777786254883,477.986541748047,19.1130332946777,3.83179259300232,12.6641836166382,-14.7087497711182,601.582214355469,10.6641836166382,459.842041015625,4.66418409347534,0.0,0.0,0.715818464756012,7.36165571212769,289.010009765625,0.46472355723381,15.9949169158936,2.72222222222222,0.0406124927103519,1.70414201183432,2.18224716186523,155.813430786133,3.14734530448914,1.73310005664825,11.8900003433228,0.173997208476067,0.400000005960464,75.1462249755859,0.527150809764862,2.23000001907349,48.7864227294922,0.284181535243988,0.0,4.26347732543945,0.760079681873322,20.2299995422363,-0.184496283531189,10.9320697784424,0.0,-0.0453966297209263,0.16666667163372,0.666666686534882,1.81676292419434,0.0,267.629302978516,1.33160018920898,0.388183206319809,0.0,10.7724151611328,0.0577729977667332,2.009,0.0680413842201233,-0.0197718162089586,1.65096366405487,8.25300312042236,-0.0144942896440625,5.85380077362061,0.0,41.125301361084,1.47827804088593,0.00738464342430234,231.929000854492,1.55802857875824,18.914737701416,0.00387056428007782,0.0,150.572906494141,2.07593297958374,0.0253371726721525,0.0,13.1586637496948,67.0,0.69114488363266,4.82996511459351,0.558030247688293,0.549603521823883,1.73000001907349,0.0,0.577073276042938,0.0,20.23,0.0,2.72222232818604,0.0680413842201233,29.8332195281982,0.0,7.0,0.0,0.0,1.70414197444916,0.20412415266037,139.852661132812,-19.3683185577393,5.67926454544067,0.0240562614053488,0.555112063884735,210.350677490234,37.5808,56.3760185241699,0.363210737705231,-4.76571321487427,2.96164059638977,0.0,0.0,27.8674144744873,0.678546965122223,2.26856184005737,0.0588708110153675,1.0,0.0833333358168602,0.0,0.210525780916214,1.49049186706543,0.335458278656006,0.725598752498627,3.00363564491272,0.430706411600113
InChI%3D1S%2FC13H11N3%2Fc14-10-3-1-8-5-9-2-4-11%2815%297-13%289%2916-12%288%296-10%2Fh1-7H%2C14-15H2,0.184248551726341,0.744451701641083,13.6921300888062,3.0,5.5365195274353,11.0,198.163995742798,0.841537714004517,0.430994957685471,0.0,0.362951278686523,0.0111001627519727,17.079963684082,-0.303382873535156,2.49088501930237,177.446090698242,1091.0234375,1.30310392379761,18.6647415161133,-198.883117675781,1292.1923828125,5.51450204849243,11.1901454925537,27.3294811248779,-25.7428016662598,1841.34167480469,26.4956665039062,1757.20092773438,19.3847179412842,0.0,0.0,0.622644543647766,3.29696083068848,601.030029296875,0.69786536693573,14.0050935745239,4.3491124260355,0.050516851246357,2.20415224913495,0.0,1222.07946777344,0.0,-0.636900007724762,11.8500003814697,0.158462285995483,0.5,137.680267333984,0.569812953472137,2.55999994277954,154.313232421875,0.377355486154556,0.0,11.1703758239746,1.24401688575745,,-0.422943294048309,12.0252771377563,0.0,-0.0547444447875023,0.16666667163372,1.0,5.09853601455688,0.0,395.721221923828,4.59668731689453,0.181920930743217,0.0,28.0252285003662,0.107339143753052,2.5524,2.18630528450012,-0.0393045656383038,6.71303987503052,9.54665756225586,-0.0116993337869644,16.7830562591553,0.0,72.4266967773438,2.49744319915771,-0.0403198376297951,292.789794921875,3.83049893379211,42.0267562866211,0.0541238822042942,0.0,328.161346435547,5.9078803062439,0.000810696568805724,0.0,23.7548351287842,226.0,0.835825800895691,5.7827615737915,0.545595645904541,1.06333565711975,-0.0230000000447035,0.0,1.33825814723969,0.0,64.93,3.0,4.34911251068115,0.191638320684433,83.4415130615234,0.0,16.0,0.0,0.0,2.20415234565735,0.485667705535889,115.343704223633,-93.5219802856445,8.64336585998535,0.0642499551177025,0.269789904356003,527.04443359375,68.0738,74.5146484375,0.488216191530228,-12.1051893234253,5.07798194885254,0.0,0.0,49.4976387023926,0.991029262542725,3.89264726638794,0.114339932799339,0.0,0.0430331490933895,0.0,0.187695294618607,2.660893201828,0.110724419355392,1.85645461082458,0.405641615390778,1.37801265716553
InChI%3D1S%2FC9H11BrN2O2%2Fc1-12%2814-2%299%2813%2911-8-5-3-7%2810%294-6-8%2Fh3-6H%2C1-2H3%2C%28H%2C11%2C13%29,0.302222281694412,0.357253581285477,9.81101989746094,4.0,0.965489387512207,6.0,248.014995574951,0.867489516735077,0.145927682518959,0.0,0.276541829109192,1.08918428421021,59.5270042419434,-0.293244421482086,1.83395254611969,196.336334228516,791.780578613281,1.38490748405457,21.5350666046143,-224.331405639648,858.254577636719,4.1505126953125,6.88788318634033,31.9350109100342,-26.1829967498779,1060.73010253906,30.9622116088867,924.940490722656,19.6457843780518,0.0,4.0,0.584589302539825,0.748547494411469,443.049987792969,0.667944252490997,78.9183349609375,5.77777777777778,0.0352866090834141,3.96,1.34275674819946,635.042114257812,1.3811993598938,0.832099974155426,11.8500003814697,0.132510498166084,0.444444447755814,130.586059570312,0.509531378746033,1.89999997615814,149.205963134766,0.415410727262497,1.0,7.88235282897949,0.964203774929047,41.5699996948242,-0.474642992019653,17.50927734375,0.0,-0.0553982928395271,0.16666667163372,0.800000011920929,2.72527766227722,0.285714285714286,410.003173828125,2.07069683074951,0.186927810311317,0.0,22.1317367553711,0.343046694993973,2.4742,0.664820194244385,-0.201913923025131,3.30192732810974,9.65217590332031,-0.0171118266880512,6.29469060897827,0.0,60.7728004455566,1.99129748344421,0.130103036761284,276.295501708984,2.0913462638855,45.7013893127441,-0.0985023230314255,4.0,315.691741943359,2.50172114372253,0.111016422510147,1.0,16.6775741577148,189.0,0.777153849601746,4.64215755462646,0.508914172649384,0.640596330165863,0.83899998664856,0.0,0.700585782527924,7.0,41.57,2.0,5.77777767181396,0.0833333358168602,92.794807434082,0.0,11.0,0.0,0.0,3.96000003814697,0.142258897423744,79.9591751098633,-106.026161193848,9.53707218170166,0.0277777779847383,0.256584703922272,540.023132324219,57.9327,62.6286811828613,0.547590792179108,-12.3749189376831,4.76911449432373,0.333333343267441,0.0,42.8605728149414,0.90640914440155,3.53276348114014,0.0684433579444885,0.0,0.0186339002102613,1.0,0.366461873054504,2.18402051925659,0.264469027519226,1.08266484737396,0.692390382289886,0.794103801250458
InChI%3D1S%2FC8H14O4%2Fc1-5-4-8%2811-6%282%299%2912-7%283%2910-5%2Fh5%2C7-8H%2C4H2%2C1-3H3,0.260687798261642,0.368961304426193,8.5961799621582,4.0,2.38110160827637,0.0,160.083995819092,0.827934861183167,0.0523368380963802,0.0,0.198630422353745,0.932610154151917,15.0978765487671,-0.349194437265396,2.52155923843384,78.2185211181641,479.616424560547,1.29573607444763,14.3246440887451,-99.730094909668,520.124084472656,2.47150826454163,5.14201068878174,20.9801425933838,-19.3297443389893,660.572082519531,14.9925518035889,558.152465820312,15.2093982696533,1.19055080413818,2.0,0.819517254829407,1.87712359428406,544.039978027344,1.04489994049072,15.9989643096924,4.296875,0.035785648971796,3.515625,0.94494080543518,429.277130126953,4.44007921218872,-0.0710000023245811,11.9967775344849,0.172065168619156,0.5,153.923904418945,0.447836130857468,1.89999997615814,196.255874633789,0.180482730269432,0.0,6.72135543823242,1.18972265720367,44.7599983215332,-0.230118870735168,22.0108985900879,0.0,-0.0446017757058144,0.0,1.0,2.97274971008301,0.166666666666667,358.814605712891,1.64266431331635,0.293334871530533,0.0,20.1130084991455,0.582213878631592,1.047,0.291257828474045,-0.398548871278763,0.0,7.69288969039917,0.249255999922752,2.30940103530884,0.0,38.7957992553711,1.25592231750488,-0.252439826726913,355.166564941406,2.40841889381409,40.8013038635254,0.194190248847008,2.0,452.844085693359,2.43677186965942,0.108491227030754,3.0,15.5089673995972,114.0,0.464261829853058,3.8557140827179,0.421088218688965,0.732688903808594,1.24000000953674,0.0,0.645101487636566,4.0,44.76,4.0,4.296875,0.0680413842201233,33.8987426757812,0.0,3.0,0.0,0.0,3.515625,0.184195280075073,276.948059082031,-43.2215347290039,7.57215070724487,0.0226804614067078,0.273766398429871,552.574157714844,41.265,74.5704803466797,0.414266437292099,-8.37722301483154,4.05795669555664,0.825481832027435,0.0,34.8387107849121,0.773905038833618,2.92510581016541,0.0546201802790165,0.0,0.0,1.0,0.426811754703522,1.58915197849274,0.204412758350372,1.2160941362381,0.00504099996760488,0.584344267845154
InChI%3D1S%2FC7H16N%2Fc1-8%282%296-4-3-5-7-8%2Fh3-7H2%2C1-2H3,0.0738972947001457,0.5,5.49451732635498,0.0,0.0,0.0,98.0839977264404,1.0,0.0,0.0,0.138979732990265,1.10898041725159,8.35998821258545,-0.348017334938049,1.5358624458313,42.2669868469238,441.117126464844,1.62022888660431,8.66474056243896,-23.5599842071533,472.808380126953,0.0,2.84967446327209,11.3323707580566,-1.53488481044769,598.176391601562,7.16618537902832,362.544189453125,2.0,0.0,0.0,0.878910422325134,1.05254864692688,520.010009765625,0.489912241697311,14.003077507019,2.08264462809917,0.0302427839487791,1.8,3.70107173919678,89.37109375,0.0,-2.08010005950928,11.8999996185303,0.0,0.25,107.086250305176,0.551106750965118,2.11999988555908,59.6907997131348,0.121089570224285,0.0,3.68477416038513,1.20710682868958,,-0.0674963742494583,20.131311416626,0.0,-0.00439725071191788,0.0,0.333333343267441,1.50888347625732,0.0,349.055541992188,1.03033006191254,0.279526382684708,0.0,9.24018287658691,0.113983675837517,1.2055,0.0,-0.0817670300602913,6.08364343643188,9.09475421905518,0.0183147843927145,0.0,0.0,29.5526008605957,1.20710682868958,0.00603675283491611,306.78857421875,1.45710682868958,19.5883827209473,0.000423653342295438,0.0,171.006591796875,1.20710682868958,0.201833993196487,0.0,10.5564117431641,52.0,1.70710682868958,6.49412488937378,0.546709597110748,2.06066012382507,0.736000001430511,0.0,1.70710682868958,0.0,0.0,0.0,2.08264470100403,0.0883883461356163,14.7535266876221,0.0,0.0,0.0,0.0,1.79999995231628,0.176776692271233,264.521575927734,-8.2237434387207,6.24264049530029,0.125,0.624312400817871,194.56657409668,35.0522,0.0,1.70710682868958,-0.535760045051575,4.41421365737915,0.0,0.353553384542465,12.0912961959839,0.50501811504364,4.8284273147583,0.25,0.0,0.0,0.0,0.522412538528442,2.91421365737915,0.0744587928056717,2.06066012382507,4.32681608200073,1.45710682868958
InChI%3D1S%2FC2H2Cl4%2Fc3-1%284%292%285%296%2Fh1-2H,0.23259262740612,0.0,3.01246571540833,0.0,1.0,0.0,165.833995819092,1.0,0.0,0.0,0.105155862867832,0.721199631690979,36.8510131835938,-0.173516392707825,0.864739656448364,233.332366943359,362.415679931641,1.87910056114197,12.8069496154785,-131.683212280273,350.808044433594,13.8313856124878,1.42652654647827,29.2324562072754,-32.9208030700684,342.378082275391,34.8510131835938,172.777877807617,0.0,0.0,1.0,0.143697962164879,0.0,19.0400009155273,0.0810972228646278,34.9720077514648,2.22222222222222,0.0117880180478096,3.0,0.0,0.0,0.0,2.39919996261597,11.998706817627,0.0,0.333333343267441,10.6695623397827,0.687969028949738,1.24000000953674,6.02146291732788,0.85630202293396,4.0,0.875259459018707,0.666666686534882,0.0,-0.483261704444885,3.86641407012939,0.0,-0.120815426111221,0.333333343267441,0.5,0.0,0.2,272.488403320312,0.0,0.287053763866425,0.0,2.8860342502594,0.20918470621109,2.5938,0.0,-0.0697282329201698,0.0,9.74158191680908,-0.104592353105545,0.0,0.0,30.7637996673584,1.33333337306976,0.0697282329201698,39.1560249328613,0.0,6.78815317153931,0.0,1.0,22.0980529785156,0.0,0.239405080676079,0.0,3.21209812164307,24.0,1.94381725788116,6.56798601150513,0.707129895687103,0.0,2.57599997520447,0.0,0.0,6.0,0.0,0.0,2.22222232818604,0.0,63.5803642272949,0.0,0.0,0.0,0.0,3.0,0.0,-194.176345825195,-35.8821449279785,5.69027423858643,0.0,0.25,153.781265258789,30.988,0.0,0.857142865657806,-8.97053623199463,2.95194792747498,0.0,0.0,36.1329002380371,0.592591524124146,2.99647283554077,0.0,0.0,0.551020383834839,0.0,0.484001576900482,1.71428573131561,0.354643374681473,0.0,5.75616073608398,0.0
InChI%3D1S%2FC5H10N2O2S%2Fc1-4%2810-3%297-9-5%288%296-2%2Fh1-3H3%2C%28H%2C6%2C8%29,0.303577095270157,0.0954124182462692,8.34888172149658,5.0,0.333333343267441,0.0,152.13399887085,0.767506301403046,0.025000000372529,0.0,0.1589565128088,0.236424937844276,18.3966674804688,-0.32415696978569,3.56001710891724,143.15544128418,450.91650390625,1.63559591770172,14.0557765960693,-142.184432983398,435.928314208984,11.1151247024536,4.55243921279907,16.3291130065918,-22.9171142578125,451.004272460938,13.6323146820068,377.007293701172,8.66633987426758,0.0,3.0,0.624463200569153,2.82574987411499,271.049987792969,0.620227575302124,31.972677230835,5.76,0.0426542013883591,5.53086419753086,0.0,265.070159912109,2.21041893959045,0.972699999809265,11.9985122680664,0.232493728399277,0.428571432828903,90.7439270019531,0.654934763908386,1.46000003814697,90.1284255981445,0.375536799430847,0.0,6.19829940795898,0.577350258827209,79.4800033569336,-0.372989594936371,16.448070526123,0.333333343267441,-0.0601180084049702,0.0,0.75,0.977283895015717,0.333333333333333,292.575042724609,0.721404492855072,0.426406502723694,2.0,18.1247482299805,0.279083609580994,1.2432,0.0833333358168602,-0.215917870402336,0.0,9.16247272491455,0.0902719870209694,0.0,0.0,40.3573989868164,0.98559856414795,0.0347242802381516,238.046722412109,0.643950521945953,30.3053131103516,-0.0830821320414543,3.0,236.432098388672,0.638071179389954,0.0283181574195623,1.0,16.2598743438721,96.0,0.444746911525726,4.5205397605896,0.680779933929443,0.195091232657433,1.63300001621246,0.0,0.135339453816414,10.0,79.48,2.0,5.76000022888184,0.0,54.5711631774902,0.0,6.0,0.0,1.0,5.53086423873901,0.0,94.8912811279297,-54.2010154724121,6.97463417053223,0.0,0.326332598924637,378.616516113281,43.6968,88.6271133422852,0.314686119556427,-8.73605346679688,3.84184956550598,0.5,0.0,39.1769905090332,0.908526837825775,2.41096806526184,0.0,1.0,0.0,0.0,0.299881190061569,1.40790450572968,0.305621832609177,0.294998288154602,0.946145296096802,0.167138949036598
InChI%3D1S%2FC14H18ClN3O2%2Fc1-14%282%2C3%2912%2819%2913%2818-9-16-8-17-18%2920-11-6-4-10%2815%295-7-11%2Fh4-9%2C12-13%2C19H%2C1-3H3,0.157485395669937,0.743900299072266,12.4545564651489,4.0,2.10257887840271,6.0,277.625993728638,0.912795662879944,0.38742607831955,0.0,0.140242084860802,1.30345904827118,30.3416557312012,-0.387899845838547,4.67070817947388,175.720153808594,1296.13427734375,1.36266052722931,25.1389274597168,-329.381805419922,1479.79638671875,2.32746315002441,6.48038959503174,37.5021171569824,-24.8465671539307,2016.54553222656,35.7742614746094,1840.57885742188,32.7127952575684,0.0,5.0,0.686014652252197,0.712430119514465,1469.06005859375,1.28591251373291,34.9688529968262,6.84,0.0376786217093468,4.49632653061224,2.93766689300537,1753.09838867188,3.04879641532898,1.53229999542236,11.9943561553955,0.0872043147683144,0.444444447755814,214.861053466797,0.382217705249786,2.33999991416931,402.750183105469,0.313985347747803,1.0,11.8010149002075,2.32824087142944,60.1699981689453,-0.588555514812469,28.3665542602539,0.5,-0.044397059828043,0.636082768440247,0.800000011920929,4.782310962677,0.238095238095238,510.841003417969,3.61370658874512,0.375020027160645,0.0,44.8030052185059,0.418490797281265,2.9161,1.45804238319397,-0.232851639389992,4.35397911071777,10.5402278900146,-0.0349109284579754,8.45763683319092,0.0,82.8514022827148,3.81979632377625,0.091221734881401,383.924255371094,4.62952470779419,96.7106704711914,-0.0585300773382187,5.0,719.653747558594,6.47435474395752,0.104657202959061,1.0,21.0866298675537,305.0,1.87243902683258,6.04577732086182,0.506218373775482,1.86849462985992,2.32299995422363,0.144337564706802,2.107017993927,8.0,60.17,4.0,6.84000015258789,0.16666667163372,98.3407974243164,0.0559016987681389,7.0,0.0,0.0,4.4963264465332,0.249296993017197,208.2041015625,-184.336685180664,12.814884185791,0.0600526407361031,0.206901207566261,1049.03552246094,76.6008,48.8034057617188,1.84972977638245,-13.9052419662476,7.06704139709473,0.333333343267441,0.288675129413605,45.9331970214844,0.74714469909668,6.42242479324341,0.0746473297476768,1.0,0.258731633424759,0.0,0.474224448204041,3.476322889328,0.112210899591446,2.07447123527527,2.34794330596924,1.34212267398834
InChI%3D1S%2FC22H19Cl2NO3%2Fc1-22%282%2917%2812-19%2823%2924%2920%2822%2921%2826%2928-18%2813-25%2914-7-6-10-16%2811-14%2927-15-8-4-3-5-9-15%2Fh3-12%2C17-18%2C20H%2C1-2H3,0.267452269792557,1.07736527919769,18.1958484649658,4.0,7.59643507003784,12.0,397.151989936829,0.853431344032288,0.520017266273499,0.0,0.278783351182938,1.59892046451569,46.1089019775391,-0.310028731822968,3.76804542541504,327.221649169922,1811.08508300781,1.36476194858551,35.7301216125488,-631.533569335938,2114.01782226562,2.08051228523254,12.8288822174072,55.2136192321777,-44.8833847045898,2695.203125,47.2761383056641,2598.23974609375,52.6226997375488,0.200000002980232,7.0,0.533959031105042,0.130679339170456,1645.06005859375,1.03053402900696,34.969856262207,9.87128177393186,0.0336079522967339,5.3890306122449,2.62408518791199,2520.44677734375,3.7276782989502,3.4368999004364,11.8500003814697,0.146568641066551,0.466666668653488,263.235137939453,0.479098588228226,3.22000002861023,508.040374755859,0.466040968894958,2.0,16.5683002471924,2.51029205322266,59.3199996948242,-0.899452984333038,27.0609321594238,0.0,-0.0639245510101318,0.365450888872147,0.875,7.76993560791016,0.233333333333333,599.220336914062,6.08528327941895,0.207082703709602,0.0,74.8769760131836,0.558789670467377,6.17798,2.44967555999756,-0.271676242351532,12.9015808105469,10.3236637115479,-0.000114276852400508,18.8104515075684,0.0,118.437103271484,4.28947687149048,0.0854881331324577,374.909027099609,6.53918361663818,170.364334106445,-0.148586750030518,7.0,723.569519042969,8.57184410095215,0.0878728181123734,2.0,23.5971736907959,680.0,2.40368151664734,4.57111835479736,0.469095498323441,2.63956999778748,3.89199995994568,0.496193736791611,3.07159948348999,6.0,59.32,3.0,9.87128162384033,1.11689782142639,229.752365112305,0.407229274511337,13.0,0.0,0.0,5.79561042785645,1.35620033740997,47.687370300293,-443.419067382812,16.9452991485596,0.580476403236389,0.160559579730034,1355.10302734375,107.954,102.910339355469,1.80074167251587,-31.5140018463135,9.54046726226807,0.534522473812103,0.16666667163372,68.4805603027344,0.748913764953613,8.22262954711914,0.635506510734558,0.0,0.213089123368263,1.0,0.416567862033844,5.04648208618164,0.138510793447495,3.29991459846497,11.8122816085815,2.28256034851074
InChI%3D1S%2FC10H12N3O3PS2%2Fc1-15-17%2818%2C16-2%2919-7-13-10%2814%298-5-3-4-6-9%288%2911-12-13%2Fh3-6H%2C7H2%2C1-2H3,0.324238181114197,1.82020795345306,16.7558574676514,7.0,2.38110160827637,5.0,305.235999107361,0.888690292835236,1.13288271427155,,0.333279371261597,1.05685317516327,40.3092918395996,-0.347426176071167,2.66787624359131,138.042114257812,1307.13879394531,1.35733711719513,40.5249900817871,-239.383590698242,1506.0458984375,1.08234167098999,13.0311288833618,54.220458984375,-20.5627517700195,2035.63879394531,48.3471717834473,2011.57348632812,37.1948661804199,0.5,5.0,0.757470667362213,0.599343419075012,814.090026855469,1.31355595588684,31.9730739593506,6.63520408163265,0.0485010109841824,3.55555555555556,1.31000518798828,1496.37646484375,0.863054394721985,0.854099988937378,11.9885759353638,0.111309722065926,0.5,245.392105102539,0.542685151100159,1.57000005245209,425.542907714844,0.242529317736626,0.0,15.7125091552734,1.58864283561707,130.029998779297,-0.420578449964523,27.094898223877,1.0,-0.0361271612346172,0.242833852767944,1.0,4.87221908569336,0.25,505.822113037109,3.68945693969727,0.15922050178051,0.0,51.3569831848145,0.504751443862915,2.6501,1.72535836696625,-0.357576221227646,4.11402320861816,11.3380661010742,0.293909937143326,6.5518536567688,,84.1751022338867,3.80316400527954,-0.354140281677246,431.134918212891,4.96548461914062,104.854804992676,0.258502542972565,5.0,747.645935058594,5.25096607208252,0.0630736500024796,2.0,27.6056613922119,306.0,4.74324178695679,5.3509521484375,0.479207664728165,4.57761096954346,2.2590000629425,0.0,2.79526042938232,8.0,133.44,6.0,6.63520431518555,0.138888895511627,78.5704040527344,0.0,11.0,0.0,,3.55555558204651,0.280444771051407,293.092803955078,-136.251647949219,12.9795970916748,0.0417532026767731,0.18721716105938,987.029541015625,79.918,63.3549346923828,2.45992827415466,-11.7038459777832,9.6092185974121,0.333333343267441,0.335410207509995,48.1684150695801,0.766881823539734,10.0795593261719,0.0595027692615986,0.0,0.0501469224691391,1.0,0.335444241762161,8.13727188110352,0.144377589225769,4.12775993347168,0.72948682308197,2.71691417694092
InChI%3D1S%2FC11H23NOS%2Fc1-6-14-11%2813%2912%287-9%282%293%298-10%284%295%2Fh9-10H%2C6-8H2%2C1-5H3,0.261192947626114,0.772484064102173,12.7345390319824,3.0,0.908560276031494,0.0,194.193997383118,0.9449502825737,0.31622776389122,0.0,0.168587207794189,0.982005536556244,21.2622108459473,-0.267503768205643,4.64518022537231,110.993209838867,906.892700195312,1.38633692264557,17.1702175140381,-104.671089172363,948.465698242188,7.09891128540039,7.10735321044922,23.2254848480225,-12.0646867752075,1109.357421875,20.1667728424072,1069.05310058594,21.5020313262939,0.0,7.0,0.794370174407959,1.14955520629883,1114.03002929688,0.749123215675354,31.9720726013184,7.3125,0.0229664761573076,7.04,4.31086349487305,1058.50415039062,4.93842363357544,1.99590003490448,11.8900003433228,0.0550497025251389,0.428571432828903,231.442764282227,0.407050162553787,2.33999991416931,218.259902954102,0.20562981069088,0.0,6.69136953353882,1.21886551380157,45.6100006103516,-0.193917244672775,30.3617610931396,0.0,-0.0223514512181282,0.117851130664349,0.75,2.46288251876831,0.538461538461538,510.057678222656,1.68591642379761,0.364770174026489,0.0,44.5559883117676,0.208113744854927,3.4735,0.272165536880493,-0.177168428897858,0.94494080543518,10.6743192672729,0.144861578941345,3.91332173347473,0.0,63.1865997314453,1.44837236404419,-0.0708579793572426,428.778778076172,2.0526397228241,89.7113800048828,-0.00427625421434641,7.0,404.355743408203,2.8844633102417,0.0771135538816452,0.0,12.3966598510742,142.0,0.913992822170258,6.00627517700195,0.44466033577919,1.32603025436401,2.88199996948242,0.0,1.81865477561951,14.0,45.61,2.0,7.3125,0.0,59.9110260009766,0.0,3.0,0.0,1.0,7.03999996185303,0.0,317.785552978516,-56.4985237121582,10.8562278747559,0.0,0.283583015203476,509.026824951172,64.777,29.7142887115479,1.04010343551636,-6.51217985153198,6.37158870697021,0.0,0.0,24.4613456726074,0.725658714771271,5.60686302185059,0.0,0.0,0.0559016987681389,1.0,0.534626483917236,2.49090623855591,0.276919722557068,1.89851129055023,3.98361682891846,1.3264023065567
InChI%3D1S%2FC16H17F5N2O2S%2Fc1-7%282%296-8-9%2815%2824%2925-3%2911%2813%2817%2918%2923-12%2816%2819%2C20%2921%2910%288%2914-22-4-5-26-14%2Fh7%2C13H%2C4-6H2%2C1-3H3,0.43393662571907,1.67750775814056,13.6716756820679,5.0,15.1628198623657,2.0,379.24499130249,0.700621545314789,1.01265168190002,0.0,0.138771325349808,1.76050341129303,41.9068870544434,-0.315378755331039,4.82429790496826,336.091827392578,1711.43823242188,1.27524411678314,34.9095115661621,-775.813354492188,2057.220703125,2.32586574554443,7.08687353134155,56.8059005737305,-64.3029861450195,2993.30590820312,55.9631538391113,3255.21704101562,73.9738082885742,0.0,7.0,0.532738864421844,5.55043125152588,1286.09997558594,1.22974109649658,31.9725723266602,9.0,0.0485101044178009,5.09342560553633,1.71158242225647,3564.81762695312,6.76752805709839,2.82789993286133,11.9985389709473,0.299378454685211,0.5,275.620178222656,0.473785579204559,2.11999988555908,636.224304199219,0.467261135578156,5.0,25.0974044799805,3.12221479415894,,-1.07859635353088,32.3935203552246,0.25,-0.0893990397453308,0.799125611782074,1.0,7.12264728546143,0.259259259259259,503.943420410156,6.00067853927612,0.352868109941483,1.0,55.1588516235352,0.971291303634644,3.9521,3.38229084014893,-0.551568448543549,1.02598559856415,12.3979806900024,-0.0241425950080156,7.61990022659302,0.0,89.127700805664,5.07971811294556,0.236136689782143,383.188690185547,8.1603889465332,129.020706176758,-0.121181078255177,7.0,884.52880859375,13.446964263916,0.128770127892494,1.0,34.8923721313477,346.0,1.70890617370605,3.98278117179871,0.436413884162903,2.67664432525635,3.79699993133545,0.144337564706802,3.63026452064514,4.0,76.85,4.0,9.0,0.128694251179695,241.74430847168,0.136930644512177,11.0,0.0,1.0,5.09342575073242,0.229547947645187,47.096866607666,-558.027404785156,15.1015119552612,0.0824407413601875,0.136571735143661,1660.34216308594,85.1307,215.337097167969,1.09606504440308,-46.2518882751465,8.74050235748291,0.5,0.0134987309575081,99.1953582763672,0.743846356868744,7.08116912841797,0.107379287481308,0.0,0.152135610580444,1.0,0.365044683218002,4.59855556488037,0.187957257032394,3.59945678710938,7.99701833724976,2.37747883796692
InChI%3D1S%2FC6H3N3O6%2Fc10-7%2811%294-1-5%288%2812%2913%293-6%282-4%299%2814%2915%2Fh1-3H,,0.238571837544441,7.53909492492676,6.0,1.5,6.0,210.080995559692,1.0,0.0935294553637505,0.0,0.124108225107193,0.0182091146707535,20.7267780303955,,3.76030254364014,314.245849609375,534.051452636719,1.29762136936188,18.8193511962891,-239.458038330078,616.97412109375,7.39241361618042,3.76058316230774,26.3130702972412,-35.5070724487305,825.737976074219,25.9822158813477,776.669311523438,23.5636234283447,0.0,3.0,0.332686692476273,1.1560583114624,114.089996337891,0.253510117530823,,5.36507936507936,0.0229279696941376,3.5,0.0,573.351501464844,0.0,-1.1311000585556,,0.0,0.333333343267441,73.7759704589844,0.482389807701111,1.12999999523163,56.2179222106934,0.667313277721405,0.0,5.08446311950684,1.5,102.419998168945,-0.50849848985672,7.04762077331543,0.0,-0.0754006505012512,0.5,0.5,3.08827424049377,0.2,470.911987304688,2.83909130096436,0.498773723840714,0.0,14.2778797149658,0.178043529391289,2.9808,0.856304705142975,0.0247188322246075,1.5,,0.0253361593931913,6.2402515411377,0.0,22.3526000976562,2.99156379699707,-0.00217214855365455,156.666152954102,2.87944531440735,22.0744686126709,-0.204676657915115,3.0,119.380958557129,4.55764055252075,0.00241529173217714,0.0,10.7970561981201,147.0,0.535280406475067,,0.48229056596756,0.532125055789948,-0.0240000002086163,0.0,0.580078661441803,3.0,137.46,0.0,5.36507940292358,0.0680413842201233,147.982131958008,0.0,15.0,3.1143274307251,0.0,3.5,0.117851130664349,-157.579681396484,-112.763656616211,7.02318143844604,0.0240562614053488,0.166287913918495,358.838989257812,52.908,0.0,0.335410207509995,-16.7207050323486,3.49831628799438,0.0,0.0,46.304126739502,0.491890698671341,2.47893881797791,0.0322748608887196,0.0,0.0372678004205227,6.0,0.332940936088562,1.51975381374359,0.171776577830315,0.89577466249466,1.27938723564148,0.58013653755188
InChI%3D1S%2FC4H7Cl2O4P%2Fc1-8-11%287%2C9-2%2910-3-4%285%296%2Fh3H%2C1-2H3,0.457887351512909,0.146458253264427,8.67974090576172,4.0,0.0,0.0,213.919996261597,0.85029000043869,0.0,0.0,0.180842518806458,0.675791501998901,35.1737976074219,-0.287472993135452,3.01781415939331,210.085037231445,341.682891845703,1.25241148471832,24.6407566070557,-264.473358154297,340.519897460938,3.13664197921753,4.98613500595093,34.3316535949707,-32.033203125,375.244720458984,22.4316387176514,310.168304443359,22.2203903198242,1.5,4.0,0.525390565395355,0.320574879646301,179.070007324219,0.661407470703125,34.970157623291,4.79289940828402,0.0416450649499893,4.44444444444444,0.5,243.106704711914,0.400000005960464,1.03320002555847,11.9985990524292,0.149710029363632,0.5,102.943717956543,0.440466374158859,1.12999999523163,129.594512939453,0.474609404802322,2.0,8.15983009338379,1.33502495288849,54.5699996948242,-0.597479701042175,22.6784496307373,0.0,-0.0723671689629555,0.0,1.0,1.24069023132324,0.4,376.37939453125,0.901047587394714,0.34768483042717,0.0,20.4562301635742,0.62253075838089,2.6804,0.0,-0.606948912143707,0.0,8.39773941040039,0.545852959156036,1.0,1.0,42.2757987976074,2.12078189849854,-0.253500878810883,232.563232421875,1.92951393127441,39.304759979248,-0.153742998838425,4.0,292.770874023438,1.3216780424118,0.0778584852814674,3.0,18.4341163635254,94.0,0.504617691040039,3.13474416732788,0.477007985115051,0.386088639497757,1.20700001716614,0.0,0.272350877523422,11.0,54.57,4.0,4.79289960861206,0.0,92.993782043457,0.0,7.0,0.0,0.0,4.44444465637207,0.0,22.4781932830811,-117.06867980957,7.6492862701416,0.0,0.227560520172119,557.244201660156,42.4985,66.2688827514648,0.553819298744202,-14.1794424057007,3.57076072692871,1.5,0.0186432246118784,50.4673194885254,0.729863286018372,2.79270768165588,0.0,0.0,0.0,1.0,0.334937065839767,1.21125984191895,0.363705605268478,0.517270445823669,1.06750226020813,0.284269422292709
InChI%3D1S%2FC25H24F6N4%2Fc1-23%282%2915-32-22%2833-16-23%2935-34-21%2813-7-17-3-9-19%2810-4-17%2924%2826%2C27%2928%2914-8-18-5-11-20%2812-6-18%2925%2829%2C30%2931%2Fh3-14H%2C15-16H2%2C1-2H3%2C%28H2%2C32%2C33%2C35%29,,1.10510015487671,29.1240825653076,4.0,2.6993362903595,13.0,470.290987014771,0.948764741420746,0.522680282592773,0.0,0.2221649736166,1.57513272762299,45.4522171020508,,9.21378803253174,483.922302246094,2024.63159179688,1.29742765426636,41.8478088378906,-1234.484375,2300.72583007812,0.651797473430634,18.3351631164551,68.5800476074219,-57.9416961669922,3067.30712890625,59.6956214904785,2934.60424804688,48.4770889282227,0.0,8.0,0.488425701856613,2.42438006401062,2174.10009765625,1.24597251415253,,12.6975308641975,0.0344924256205559,10.0017236426314,3.41147565841675,2450.2490234375,1.35937869548798,3.05649995803833,,0.0512352809309959,0.5,437.051208496094,0.466237127780914,3.10999989509583,1114.91638183594,0.511574327945709,6.0,30.8643798828125,5.04432916641235,,-1.30502450466156,33.4753456115723,2.94168281555176,-0.0612525679171085,0.866025388240814,1.0,8.2292594909668,0.216216216216216,897.481323242188,6.67625570297241,0.31636318564415,3.0,212.329559326172,0.735583603382111,6.14620000000001,2.99500036239624,-0.513915777206421,18.7284889221191,,0.177283003926277,20.1678562164307,0.0,74.0213012695312,6.66292095184326,0.0135939018800855,462.024932861328,7.65622472763062,507.550750732422,-0.0489122979342937,8.0,1178.62426757812,8.3704481124878,0.0540835149586201,0.0,32.6280136108398,923.0,1.99808990955353,,0.369795143604279,1.90088188648224,10.9490003585815,0.0,1.75991356372833,7.0,48.78,4.0,12.69753074646,0.238835453987122,457.764953613281,0.0,25.0,0.0,0.0,10.0017232894897,0.396553069353104,-21.8973598480225,-1167.75708007812,19.0046310424805,0.0835064053535461,0.0881693810224533,2413.10864257812,120.2498,48.4658737182617,1.96494150161743,-54.8097839355469,10.6457033157349,0.0,0.276997476816177,90.569709777832,0.815323829650879,8.73727607727051,0.12972991168499,0.0,0.0714285746216774,0.0,0.461395382881165,5.05960083007812,0.163326501846313,2.97998738288879,9.34219264984131,2.0638587474823
InChI%3D1S%2FP4%2Fc1-2-3%281%294%281%292,0.100040391087532,0.0,,4.0,0.0,0.0,123.896003723145,,0.0,0.0,,,26.601655960083,-0.100000001490116,,,0.0,,39.9024810791016,,0.0,,,0.0,,0.0,0.0,0.0,0.0,0.0,0.0,,,24.0400009155273,,31.073802947998,0.0833333333333333,,0.00694444444444444,0.0,0.0,0.0,-3.18639993667603,30.8737621307373,,0.0,,,1.01999998092651,,,0.0,,0.444444447755814,,,0.0,0.0,,0.0,0.0,0.0,0.0,,0.0,,0.0,,0.0,3.4448,0.0,0.0,0.0,0.100040391087532,0.0,0.0,0.0,27.3439998626709,0.0,0.0,,0.0,,0.0,0.0,,0.0,,0.0,,12.0,0.0,-0.100000001490116,,0.0,0.0,0.0,0.0,0.0,54.36,0.0,0.0833333358168602,0.0,,0.0,0.0,0.0,0.0,0.015625,0.0,,,5.36656332015991,0.0,,,27.68,,12.960000038147,,10.8000001907349,0.0,0.0,,,28.9794406890869,0.0,0.0,0.0,0.0,,38.8800010681152,,0.0,10.1531448364258,0.0
InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2,0.087548516690731,0.0,3.40789270401001,0.0,0.0,1.0,106.938997268677,1.0,0.0,0.0,0.273426949977875,0.279278516769409,20.4255065917969,-0.1925930082798,0.750237047672272,187.053497314453,206.063125610352,1.18125581741333,7.90347480773926,-66.3063125610352,174.897933959961,36.1017227172852,2.37837719917297,6.90347480773926,-25.7713184356689,125.042137145996,5.90347480773926,74.689338684082,8.71275329589844,0.0,1.0,0.50596672296524,11.6038112640381,44.0200004577637,0.179353967308998,34.9701538085938,4.0,0.0292602945119143,4.0,0.0,28.1061096191406,0.0,1.51820003986359,11.9986352920532,0.0,0.5,72.5339279174805,0.497304528951645,1.57000005245209,25.7116680145264,0.49403327703476,2.0,4.19467163085938,0.0,0.0,-0.175123825669289,5.21282815933228,0.0,-0.0680654942989349,0.0,1.0,0.353553384542465,0.25,378.625305175781,0.0,0.220146894454956,0.0,2.65810132026672,0.0772592276334763,1.9777,0.0,-0.0332078598439693,2.38110160827637,7.11486625671387,0.0113530382514,0.0,0.0,25.2765998840332,0.0,-0.0365978591144085,191.571792602539,0.0,6.56432390213013,0.0198230687528849,1.0,67.9079513549805,0.0,0.0819505006074905,0.0,11.0786876678467,24.0,0.0,5.25948715209961,0.434697031974792,0.0,2.09899997711182,0.0,0.0,5.0,0.0,0.0,4.0,0.0,70.8231887817383,0.0,2.0,0.0,0.0,4.0,0.0,4.51829767227173,-25.1052474975586,4.12959432601929,0.0,0.476484477519989,134.214263916016,25.713,0.0,0.0,-9.7576732635498,2.19801902770996,0.0,0.0,36.8500061035156,0.922166585922241,1.0765768289566,0.0,0.0,0.0,0.0,0.249254256486893,0.534522473812103,0.231378927826881,0.303045749664307,2.30493116378784,0.0
InChI%3D1S%2FC49H73NO14%2Fc1-25%282%2943-28%285%2917-18-48%2864-43%2923-35-20-34%2863-48%2916-15-27%284%2944%2826%283%2913-12-14-33-24-57-46-42%2852%2929%286%2919-36%2847%2853%2960-35%2949%2833%2C46%2954%2961-40-22-38%2856-11%2945%2831%288%2959-40%2962-39-21-37%2855-10%2941%2830%287%2958-39%2950-32%289%2951%2Fh12-15%2C17-19%2C25-26%2C28%2C30-31%2C34-46%2C52%2C54H%2C16%2C20-24H2%2C1-11H3%2C%28H%2C50%2C51%29,0.272026360034943,4.62508964538574,,15.0,0.0,7.0,826.531978607178,,3.17408180236816,0.0,,,75.2025527954102,-0.386137217283249,,,4942.9794921875,,78.3025741577148,,5924.15966796875,,,121.437301635742,,8713.416015625,143.1455078125,9852.1748046875,151.914642333984,6.05961799621582,8.0,,,16417.150390625,,16.0083618164062,21.9657142857143,,11.4667709912465,15.8393592834473,9957.6630859375,29.6177463531494,-0.0340999998152256,11.9965934753418,,0.47826087474823,,,5.19999980926514,,,0.0,,5.96148014068604,,,101.242111206055,0.0,,1.60626041889191,0.916666686534882,20.983907699585,0.114285714285714,,17.2460155487061,,1.0,,2.11632251739502,5.9714,9.43714332580566,-1.07766318321228,13.1667699813843,12.167293548584,-0.0454118326306343,45.442325592041,0.0,229.431701660156,13.4904747009277,-0.134347945451736,,22.9466209411621,,0.215791299939156,8.0,,34.0477447509766,,10.0,,2548.0,6.3322696685791,4.83917951583862,,9.326904296875,2.40199995040894,0.0833333358168602,11.4996032714844,4.0,182.42,15.0,21.9657135009766,0.506729900836945,,0.0416666679084301,4.0,0.607379555702209,0.0,11.4667711257935,1.31107461452484,,,39.455982208252,0.239431649446487,,,236.2074,,3.23596811294556,,23.2689037322998,4.11645174026489,0.071288488805294,,,19.4905586242676,0.504789769649506,3.0,0.592726051807404,1.0,,14.2921676635742,,10.8400774002075,0.00116281001828611,7.5932936668396
InChI%3D1S%2FC7H5N3O6%2Fc1-4-6%289%2813%2914%292-5%288%2811%2912%293-7%284%2910%2815%2916%2Fh2-3H%2C1H3,,0.311330437660217,8.06424999237061,6.0,3.53277564048767,5.0,222.091995239258,1.0,0.101455949246883,0.0,0.16815747320652,0.234979450702667,21.7267780303955,,3.33310198783875,289.900207519531,641.642272949219,1.23158371448517,19.8193511962891,-230.784973144531,749.442321777344,7.18478012084961,4.49616861343384,28.3130702972412,-33.7856712341309,1039.01818847656,30.3145866394043,1047.21899414062,29.8919906616211,0.0,3.0,0.267470836639404,0.539115011692047,201.089996337891,0.212929308414459,,5.55765595463138,0.0134881697595119,3.25,0.666666686534882,778.664245605469,2.0,1.60720002651215,,0.0,0.333333343267441,41.8912773132324,0.467902064323425,1.24000000953674,33.3489837646484,0.732529163360596,0.0,2.1125168800354,1.63128232955933,102.419998168945,-0.583154916763306,9.23403453826904,0.0,-0.0853707268834114,0.595967054367065,0.5,3.84511208534241,0.1875,395.75244140625,2.87405204772949,0.413318306207657,0.0,16.82590675354,0.17491489648819,3.2892,0.786863386631012,0.0169459618628025,0.5,,0.0294029656797647,5.11154460906982,0.0,84.3436965942383,3.47864675521851,0.0129863806068897,105.852233886719,4.55761384963989,28.4116020202637,-0.214661285281181,3.0,84.2672882080078,6.33161878585815,0.0291384141892195,0.0,5.33797597885132,158.0,0.878476858139038,,0.45635199546814,0.983613908290863,3.10800004005432,0.0,1.05387628078461,2.0,137.46,0.0,5.55765581130981,0.0555555559694767,114.728706359863,0.0,15.0,3.1143274307251,0.0,3.25,0.151780605316162,-184.047958374023,-91.3337097167969,7.94583129882812,0.020833333954215,0.159170120954514,315.05224609375,57.645,0.0,0.440438449382782,-13.3707618713379,3.92096614837646,0.0,0.0,39.123649597168,0.494092851877213,2.88035082817078,0.0487841814756393,0.0,0.0984888970851898,6.0,0.307329624891281,1.94183719158173,0.168065756559372,1.15422284603119,2.58309173583984,0.676073610782623
InChI%3D1S%2FC17H29NO3S%2Fc1-5-8-14%2818-21-6-2%2917-15%2819%2910-13%2811-16%2817%2920%299-12%284%2922-7-3%2Fh12-13%2C17H%2C5-11H2%2C1-4H3,0.232351198792458,1.68657195568085,15.3081846237183,5.0,6.38240623474121,3.0,298.257994651794,0.866484642028809,0.936723589897156,0.0,0.213008135557175,1.30525887012482,30.8111476898193,-0.381147384643555,4.55250692367554,146.935882568359,1480.32507324219,1.47971415519714,27.0554981231689,-220.101196289062,1640.74975585938,5.85700654983521,9.45041847229004,35.5004615783691,-29.8580169677734,2102.47412109375,35.9912605285645,2225.64282226562,42.7083549499512,0.0,9.0,0.752205550670624,0.0563076660037041,2139.05004882812,1.12675905227661,31.9720726013184,10.7142857142857,0.0232533682137728,6.57439446366782,5.45093011856079,2153.13891601562,4.58241033554077,0.182099997997284,11.9884510040283,0.13351534307003,0.461538463830948,264.489898681641,0.444724440574646,2.77999997138977,396.190093994141,0.247794464230537,0.0,8.17633056640625,1.24198162555695,81.0299987792969,-0.371181339025497,37.8150024414062,0.0,-0.0503529235720634,0.212690398097038,0.857142865657806,5.69061088562012,0.409090909090909,513.803588867188,3.64927268028259,0.297390401363373,1.0,61.300537109375,0.404798656702042,3.8751,1.51284730434418,-0.0324551537632942,4.64519691467285,10.833701133728,-0.121960677206516,13.5262975692749,0.0,89.3193969726562,2.50548505783081,-0.177381709218025,446.038970947266,4.83079957962036,132.764999389648,0.0492611974477768,9.0,668.139770507812,6.02659177780151,0.0852654278278351,1.0,13.7886629104614,412.0,1.66449368000031,4.86344242095947,0.561595678329468,2.72431468963623,3.06900000572205,0.0,2.91651368141174,8.0,81.03,2.0,10.7142858505249,0.0555555559694767,87.1292877197266,0.0,3.0,0.25,1.0,6.57439422607422,0.182469829916954,299.103088378906,-130.51448059082,15.078501701355,0.0416666679084301,0.198898956179619,888.241027832031,92.408,79.1712417602539,1.03424668312073,-17.7050533294678,9.43458557128906,0.400000005960464,0.0,43.6466789245605,0.767316102981567,7.60739374160767,0.0843168050050735,0.0,0.0644884407520294,2.0,0.473394006490707,4.98520183563232,0.0994701981544495,4.0403413772583,0.0331604108214378,2.33313965797424
InChI%3D1S%2FC19H34O3%2Fc1-15%282%2922-18%2820%2914-17%284%2911-8-10-16%283%2912-9-13-19%285%2C6%2921-7%2Fh8%2C11%2C14-16H%2C9-10%2C12-13H2%2C1-7H3,0.286498785018921,0.934358060359955,18.6107482910156,3.0,1.57367265224457,3.0,276.205992698669,0.923547089099884,0.353515654802322,0.0,0.237358659505844,1.34370958805084,24.3234062194824,-0.378050208091736,5.17355918884277,132.076461791992,1209.50207519531,1.28620338439941,22.6604595184326,-209.731735229492,1262.01391601562,1.6608053445816,12.0934782028198,30.0991134643555,-18.6662712097168,1494.00817871094,25.3283672332764,1338.05395507812,25.3246440887451,0.0833333358168602,11.0,0.817540526390076,0.34034988284111,2563.03002929688,1.29821920394897,15.9969291687012,11.522633744856,0.0271566454321146,13.1944444444444,9.20641326904297,1264.48999023438,5.29394674301147,2.19770002365112,11.8900003433228,0.0764528885483742,0.466666668653488,428.378082275391,0.484847605228424,3.22000002861023,680.245971679688,0.182459488511086,0.0,14.2296457290649,2.48138046264648,35.5299987792969,-0.289737820625305,41.9590377807617,0.0,-0.0257868692278862,0.0,0.875,3.77066683769226,0.523809523809524,668.525573730469,1.82325112819672,0.277987718582153,0.0,85.7682113647461,0.437928080558777,5.062,0.734201729297638,-0.264170497655869,7.21301317214966,9.14653301239014,0.0441020168364048,7.7428503036499,0.0,92.6307983398438,2.8051815032959,0.0228212457150221,591.790893554688,3.30327105522156,188.449935913086,-0.031683687120676,11.0,939.738464355469,2.23771119117737,0.0722007304430008,2.0,19.657808303833,486.0,1.66695773601532,4.62650585174561,0.432567834854126,1.53779053688049,5.90500020980835,0.0,0.939179301261902,22.0,35.53,3.0,11.5226335525513,0.0,95.6058349609375,0.0,7.0,0.0,0.0,13.1944446563721,0.0,459.714416503906,-151.817947387695,15.439923286438,0.0,0.238029047846794,1149.47021484375,92.845,55.3417472839355,1.58550930023193,-13.5119047164917,8.26603126525879,0.40824830532074,0.144337564706802,38.3240814208984,0.747480154037476,6.97328424453735,0.0,0.0,0.0,1.0,0.368787974119186,3.64492082595825,0.180373340845108,2.08273434638977,4.82988548278809,1.06205248832703
InChI%3D1S%2FC9H11ClN2O%2Fc1-12%282%299%2813%2911-8-5-3-7%2810%294-6-8%2Fh3-6H%2C1-2H3%2C%28H%2C11%2C13%29,0.278573483228683,0.272253513336182,11.1557903289795,3.0,0.965489387512207,6.0,187.564995765686,0.891362071037292,0.112152680754662,0.0,0.355570703744888,0.460579693317413,22.2071990966797,-0.261067926883698,1.68771731853485,193.974838256836,706.278747558594,1.50305950641632,16.1147556304932,-195.245193481445,765.173095703125,6.97778272628784,9.007493019104,22.7027645111084,-22.100025177002,946.469360351562,20.730676651001,801.541137695312,13.1144771575928,0.0,3.0,0.567437410354614,1.45329833030701,420.040008544922,0.571153581142426,34.9688529968262,5.0242214532872,0.0312297139316797,3.7037037037037,1.46059346199036,540.240295410156,1.56827390193939,0.902199983596802,11.8500003814697,0.10863795876503,0.5,114.10661315918,0.587347030639648,2.00999999046326,114.853904724121,0.432562589645386,1.0,6.2800178527832,1.0618349313736,32.3400001525879,-0.435395479202271,16.0432777404785,0.0,-0.0492829084396362,0.235702261328697,1.0,2.36276650428772,0.230769230769231,399.715118408203,2.03083920478821,0.151286214590073,0.0,20.1280975341797,0.261200189590454,2.4335,0.59160703420639,-0.227284252643585,3.30192732810974,8.87401103973389,0.191924899816513,6.29469060897827,0.0,56.3357009887695,1.99129748344421,-0.0961920469999313,254.457000732422,1.60202610492706,38.2856674194336,-0.00862500723451376,3.0,256.123443603516,2.31512570381165,0.0412861555814743,0.0,14.0043973922729,157.0,0.673308968544006,4.76735353469849,0.568997502326965,0.459647655487061,0.754000008106232,0.0,0.55603301525116,6.0,32.34,3.0,5.02422142028809,0.0833333358168602,86.984489440918,0.0,10.0,0.0,0.0,3.70370364189148,0.142258897423744,60.4821624755859,-87.5541534423828,8.29875659942627,0.0277777779847383,0.259276390075684,451.368621826172,54.1577,48.7167167663574,0.541565895080566,-9.91035461425781,4.21047210693359,0.0,0.0,36.1044235229492,0.731638610363007,3.26790857315063,0.0453859269618988,0.0,0.0456435456871986,1.0,0.346715003252029,1.75364923477173,0.276717275381088,0.89448881149292,0.81396484375,0.660433828830719
InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2,0.185354650020599,0.0,1.69786155223846,0.0,0.0,0.0,82.9169979095459,1.0,0.0,0.0,0.106990084052086,0.319797992706299,18.4255065917969,-0.18513411283493,0.569903910160065,183.569549560547,91.8749542236328,1.60664367675781,5.90347480773926,-54.6762466430664,64.7898406982422,40.5810012817383,0.808159649372101,8.71275329589844,-27.3381233215332,24.6561908721924,0.0,0.0,0.0,0.0,0.0,0.433766335248947,26.362642288208,10.0200004577637,0.129197433590889,34.9701538085938,2.0,0.0443972088396549,0.0,0.0,0.0,0.0,1.07290005683899,11.9994735717773,0.0,0.5,45.5895919799805,0.400000005960464,1.35000002384186,13.5788745880127,0.566233694553375,2.0,4.66622352600098,0.0,0.0,-0.168652877211571,3.0264139175415,0.0,-0.0843264386057854,0.0,1.0,0.0,0.0,324.193969726562,0.0,0.335659831762314,0.0,0.901275336742401,0.104592353105545,1.4215,0.0,-0.0697282329201698,0.0,6.53172636032104,0.0174320582300425,0.0,0.0,16.4382991790771,0.0,0.0,140.624435424805,0.0,2.74642729759216,0.0,0.0,41.8850288391113,0.0,0.188353389501572,0.0,14.3933076858521,6.0,0.0,4.95766448974609,0.806643664836884,0.0,1.51900005340576,0.0,0.0,2.0,0.0,0.0,2.0,0.0,59.5121383666992,0.0,0.0,0.0,0.0,0.0,0.0,-42.9451141357422,-17.7257099151611,2.97489356994629,0.0,0.5,96.561279296875,16.573,0.0,0.0,-8.86285495758057,1.60356748104095,0.0,0.0,41.7314300537109,0.617235898971558,0.909137308597565,0.0,0.0,0.0,0.0,0.400000005960464,0.0,0.500762104988098,0.0,1.15111446380615,0.0
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%2C1-2H3,0.458425849676132,0.720889091491699,11.7105588912964,4.0,5.08567523956299,6.0,356.89199256897,0.868606448173523,0.307068049907684,0.0,0.248711735010147,1.33484733104706,58.5993041992188,-0.287458896636963,2.588787317276,330.365325927734,1166.32177734375,1.25445580482483,37.5442314147949,-526.292785644531,1330.04467773438,2.60145163536072,7.78692436218262,50.7096786499023,-50.5051689147949,1811.876953125,63.0693283081055,1867.7900390625,62.7333717346191,1.5,5.0,0.443907141685486,1.38432323932648,442.089996337891,0.707172036170959,34.9720077514648,7.1358024691358,0.0294894073158503,4.23140495867769,1.00943446159363,1513.76220703125,1.71603500843048,2.73530006408691,11.9985313415527,0.131393551826477,0.444444447755814,156.670227050781,0.47433477640152,1.57000005245209,249.585525512695,0.556092858314514,4.0,10.4078340530396,1.93663287162781,54.5699996948242,-0.885890901088715,25.7048625946045,0.0,-0.0850136503577232,0.330933094024658,0.800000011920929,4.3146333694458,0.263157894736842,516.024353027344,3.38010263442993,0.221064373850822,0.0,34.0086822509766,0.666208922863007,5.6015,0.998791873455048,-0.596909403800964,0.908560276031494,11.0784463882446,0.544003784656525,8.04132747650146,1.0,80.5628967285156,4.22742748260498,-0.2851822078228,263.717712402344,5.31957340240479,72.6280136108398,-0.0866011530160904,5.0,420.118927001953,6.78714323043823,0.113986648619175,3.0,17.519157409668,260.0,1.72501111030579,3.51548457145691,0.441261976957321,1.88407516479492,3.21900010108948,0.0,2.41619873046875,10.0,54.57,4.0,7.13580226898193,0.0555555559694767,196.264450073242,0.0,13.0,0.0,0.0,4.23140478134155,0.198741674423218,-66.6476211547852,-312.66162109375,13.0717735290527,0.020833333954215,0.17981643974781,946.411682128906,78.0115,78.0586853027344,0.804750144481659,-30.004264831543,6.66548347473145,1.5,0.0186432246118784,68.0243301391602,0.777140259742737,5.01549291610718,0.0812850072979927,0.0,0.171398758888245,1.0,0.338859051465988,3.59411907196045,0.287738502025604,2.09565162658691,7.48186588287354,1.43395364284515
InChI%3D1S%2FC8H10O%2Fc1-6-4-3-5-7%282%298%286%299%2Fh3-5%2C9H%2C1-2H3,0.103871837258339,0.165854141116142,6.71150016784668,1.0,2.38110160827637,4.0,112.086997032166,0.842821002006531,0.0215165745466948,0.0,0.220888733863831,0.165320992469788,9.77446937561035,-0.385966002941132,2.33235263824463,86.7593078613281,443.674011230469,1.23767340183258,9.33209228515625,-56.3936920166016,481.422241210938,14.899486541748,4.21382617950439,12.6641836166382,-12.5199127197266,608.240539550781,12.3283681869507,489.168029785156,4.33209180831909,0.0,0.0,0.747627317905426,9.08826351165771,289.010009765625,0.485958963632584,15.9979429244995,2.72222222222222,0.0446937046945095,1.46938775510204,2.0800838470459,159.095596313477,3.30192732810974,1.73310005664825,11.9962921142578,0.157179027795792,0.25,88.3553314208984,0.571572363376617,2.23000001907349,57.4311103820801,0.252372652292252,0.0,5.28194570541382,0.663854598999023,20.2299995422363,-0.164042636752129,10.9320697784424,0.0,-0.0364189594984055,0.272165536880493,0.333333343267441,1.84842574596405,0.0,289.740447998047,1.07210290431976,0.347515851259232,0.0,10.9103498458862,0.0539319403469563,2.009,0.136082768440247,-0.0224312208592892,2.38110160827637,8.05153751373291,0.00621890975162387,4.58575630187988,0.0,41.125301361084,1.73396909236908,-0.0118222991004586,257.015289306641,1.97939205169678,19.2466449737549,0.00106863863766193,0.0,167.060363769531,2.19038987159729,0.0246324967592955,0.0,15.3645610809326,63.0,0.616456806659698,5.2185378074646,0.455576092004776,0.658118009567261,1.30799996852875,0.0,0.579869508743286,0.0,20.23,0.0,2.72222232818604,0.0680413842201233,29.825647354126,0.0,7.0,0.0,0.0,1.4693877696991,0.20412415266037,170.255981445312,-19.38671875,5.67926454544067,0.0240562614053488,0.553626418113708,223.454040527344,37.5808,54.0341567993164,0.344576835632324,-4.30402803421021,2.96762371063232,0.0,0.0,27.8844738006592,0.675917029380798,2.24041557312012,0.0588708110153675,1.0,0.0645497217774391,0.0,0.210524946451187,1.43949389457703,0.335092812776566,0.805660843849182,3.00363564491272,0.366929084062576
InChI%3D1S%2FC15H18Cl2N2O3%2Fc1-8%282%2921-12-7-11%289%2816%296-10%2812%2917%2919-14%2820%2922-13%2818-19%2915%283%2C4%295%2Fh6-8H%2C1-5H3,0.360221356153488,0.932654917240143,17.0587024688721,3.0,6.86643552780151,6.0,327.081992149353,0.895189940929413,0.528089702129364,0.0,0.298117816448212,0.95091474056244,40.4688911437988,-0.340750515460968,3.64088249206543,222.556686401367,1533.22973632812,1.44315719604492,29.422477722168,-381.85498046875,1794.19519042969,1.14787149429321,12.4669055938721,47.8993873596191,-31.7345314025879,2581.24340820312,51.720890045166,2499.61938476562,54.5051040649414,0.16666667163372,4.0,0.622943520545959,0.594131171703339,1387.06994628906,1.06882476806641,34.969856262207,6.85714285714286,0.023786136880517,4.30839002267574,1.78986060619354,2290.03930664062,7.28521108627319,2.32929992675781,11.8900003433228,0.104810059070587,0.5,217.028717041016,0.61199563741684,2.33999991416931,372.370269775391,0.377056449651718,2.0,8.28690624237061,3.06455016136169,,-0.646940290927887,28.8141403198242,0.0,-0.0537647753953934,0.798869490623474,1.0,5.88321685791016,0.173913043478261,528.383728027344,4.83872890472412,0.213432550430298,0.0,60.7076721191406,0.537991583347321,4.217,2.10506391525269,-0.350719213485718,0.333333343267441,10.9703550338745,0.10136341303587,6.50159645080566,0.0,90.2550964355469,4.85551023483276,0.00276576145552099,367.690948486328,6.57274723052979,120.928909301758,-0.052063200622797,4.0,630.871276855469,9.7881441116333,0.0557436719536781,2.0,14.0397109985352,350.0,2.1981954574585,4.8881950378418,0.413201779127121,2.45004916191101,4.80800008773804,0.096225045621395,2.89425873756409,4.0,57.26,4.0,6.85714292526245,0.255448669195175,131.363555908203,0.0263523142784834,12.0,0.0,0.0,4.30839014053345,0.529612004756927,145.13427734375,-225.38899230957,14.7491464614868,0.0579439327120781,0.198552131652832,1012.72625732422,86.584,61.8638916015625,2.20462489128113,-18.7312316894531,7.7752423286438,0.577350258827209,0.288675129413605,45.774242401123,0.81967282295227,7.30938148498535,0.13613785803318,0.0,0.283064633607864,1.0,0.417959779500961,3.63718104362488,0.209912270307541,2.43437957763672,5.4256386756897,1.6330189704895
InChI%3D1S%2FC12H4Cl2F6N4OS%2Fc13-5-1-4%2811%2815%2C16%2917%292-6%2814%298%285%2924-10%2822%299%287%283-21%2923-24%2926%2825%2912%2818%2C19%2920%2Fh1-2H%2C22H2,0.471603900194168,1.25060284137726,15.3632440567017,4.0,8.22002506256104,5.0,433.119990348816,0.827034592628479,0.752675712108612,0.0,0.358681589365005,1.03794634342194,58.7799453735352,-0.3133285343647,1.85686564445496,462.576019287109,1841.35717773438,1.15104794502258,41.481071472168,-1165.84118652344,2244.41918945312,2.18876719474792,12.4684314727783,77.2592468261719,-80.4632415771484,3354.11401367188,77.9726333618164,3512.50146484375,86.0867233276367,0.0,4.0,0.324693858623505,1.68268918991089,575.140014648438,0.818333566188812,34.969856262207,7.78799351000541,0.0398468673229218,4.54320987654321,0.0,3304.50073242188,0.0,3.11619997024536,11.9974241256714,0.17296539247036,0.454545468091965,152.348754882812,0.47832053899765,1.24000000953674,383.968139648438,0.675306141376495,8.0,18.6964435577393,4.2318811416626,,-1.7019898891449,22.5016555786133,0.0,-0.117466792464256,1.38933706283569,0.833333313465118,7.24351835250854,0.148148148148148,566.508056640625,5.92833662033081,0.120864167809486,0.0,38.0210914611816,0.949873328208923,5.14488,2.62852501869202,-0.364611893892288,0.721124768257141,12.4450740814209,-0.0919504836201668,7.67534255981445,0.0,87.4201965332031,7.09564399719238,0.177783161401749,222.411117553711,9.99456119537354,77.4150848388672,-0.412363022565842,4.0,560.547973632812,15.3726072311401,0.0675603672862053,0.0,27.2945919036865,455.0,2.51486754417419,3.78436899185181,0.342854291200638,3.62379121780396,2.29099988937378,0.078567422926426,4.34251403808594,6.0,103.91,5.0,7.78799343109131,0.280400365591049,316.858612060547,0.0430331490933895,8.0,0.0,0.0,4.54321002960205,0.583555698394775,-240.164901733398,-798.586181640625,14.1694602966309,0.126026153564453,0.124273128807545,1726.38916015625,80.3119,118.479072570801,1.31652355194092,-55.116283416748,7.96703433990479,0.0,0.0369084998965263,107.757835388184,0.955593645572662,6.8052282333374,0.226470544934273,0.0,0.309225648641586,1.0,0.329873114824295,4.86111354827881,0.187083646655083,3.59393405914307,9.71070289611816,2.21415400505066
InChI%3D1S%2FC17H9ClF8N2O4%2Fc18-8-6-7%284-5-11%288%2931-16%2822%2C23%2914%2821%2932-17%2824%2C25%2926%2927-15%2830%2928-13%2829%2912-9%2819%292-1-3-10%2812%2920%2Fh1-6%2C14H%2C%28H2%2C27%2C28%2C29%2C30%29,0.525396227836609,0.602151036262512,20.4818058013916,6.0,8.71950435638428,11.0,483.633985519409,0.665572226047516,0.280600190162659,0.0,0.243700250983238,1.73825562000275,55.5469589233398,-0.344359338283539,5.26105308532715,468.599975585938,1431.2666015625,1.60710060596466,42.2633094787598,-1535.84948730469,1653.5283203125,2.44940090179443,13.482497215271,73.8060455322266,-79.3540496826172,2262.330078125,73.2384414672852,2274.02905273438,77.2206039428711,0.333333343267441,8.0,0.350140541791916,0.0302436668425798,772.150024414062,1.14759540557861,34.9688529968262,11.6201582673886,0.0426082164049149,8.62809917355372,0.0,2053.78881835938,0.0,4.90850019454956,11.9973917007446,0.334427773952484,0.470588237047195,182.057266235352,0.641907155513763,1.67999994754791,596.69775390625,0.649859488010406,9.0,22.1543483734131,4.52864742279053,83.6399993896484,-2.12993240356445,26.3548622131348,0.5,-0.110049046576023,0.846352696418762,0.888888895511627,8.44578742980957,0.242424242424242,479.930114746094,5.78937005996704,0.256864726543427,2.0,103.513214111328,1.34256958961487,5.9721,2.06637763977051,-0.888852179050446,3.48490142822266,9.52366256713867,0.337180703878403,13.0609283447266,0.0,100.75700378418,6.42000913619995,-0.0583386234939098,252.478973388672,9.63953590393066,247.293197631836,-0.213429600000381,8.0,827.5068359375,12.881706237793,0.0848682820796967,2.0,30.7238883972168,867.0,1.27839088439941,2.68042349815369,0.508925080299377,1.45984244346619,3.74399995803833,0.0,1.49765920639038,11.0,83.64,5.0,11.6201581954956,0.136082768440247,337.897552490234,0.0,19.0,0.25,0.0,8.62809944152832,0.339632898569107,-216.121002197266,-1107.46862792969,15.8044118881226,0.0481125228106976,0.105015479028225,2363.35620117188,94.3106,241.148818969727,0.88196462392807,-57.220531463623,8.3184814453125,0.428972601890564,0.027857543900609,110.077934265137,0.458728224039078,6.00929927825928,0.0780694037675858,2.0,0.0984628722071648,0.0,0.456268340349197,3.57955932617188,0.160280674695969,2.23681163787842,24.0933723449707,1.30607664585114
InChI%3D1S%2FC18H41N7%2Fc19-17%2820%2924-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18%2821%2922%2Fh23H%2C1-16H2%2C%28H4%2C19%2C20%2C24%29%28H4%2C21%2C22%2C25%29,0.168915390968323,1.13911056518555,17.9106521606445,6.0,0.0500000007450581,0.0,314.246994018555,0.89411723613739,0.724666953086853,0.0,0.239154577255249,2.19091105461121,27.5199165344238,-0.316738575696945,4.03830432891846,95.8687133789062,1259.99682617188,1.54637324810028,25.6618518829346,-244.482009887695,1248.67919921875,0.0,11.6814365386963,27.8246688842773,-20.6405410766602,1254.91662597656,23.3294811248779,1154.26879882812,22.3294811248779,0.0,20.0,0.855673313140869,1.78024172782898,3625.07006835938,2.18211698532104,14.0112638473511,20.3136,0.0479234531521797,24.0,0.0,1100.14270019531,0.0,-4.76900005340576,11.9933099746704,0.105882756412029,0.5,377.544769287109,0.566100716590881,2.67000007629395,962.805358886719,0.144326686859131,0.0,21.1450443267822,0.81649661064148,135.830001831055,-0.368058353662491,45.4814872741699,0.264566838741302,-0.0310735497623682,0.0,1.0,3.75682210922241,0.833333333333333,593.915588378906,2.53147435188293,0.225469410419464,0.0,81.6137466430664,0.274783402681351,1.1972,1.14073717594147,-0.218885973095894,25.3299427032471,7.60922288894653,0.112157717347145,3.79973816871643,0.0,79.4873962402344,0.577350258827209,-0.0243804603815079,568.379272460938,0.40824830532074,202.876678466797,-0.0056712687946856,20.0,1449.466796875,0.288675129413605,0.122324474155903,0.0,31.8330574035645,812.0,0.102062076330185,4.96358585357666,0.553305625915527,0.0721687823534012,4.17799997329712,0.0,0.0510310381650925,25.0,140.41,7.0,20.3136005401611,0.0,63.6805953979492,0.0,4.0,0.0,0.0,24.0,0.0,472.510559082031,-162.396682739258,15.9684085845947,0.0,0.124129474163055,1693.94873046875,109.031,70.332405090332,0.144337564706802,-13.7104387283325,9.99156379699707,0.0,0.0,52.4735984802246,0.81237256526947,6.67354440689087,0.0,0.0,0.0,0.0,0.42696687579155,4.19156122207642,0.0743748992681503,2.73532772064209,22.7433605194092,1.77255725860596
InChI%3D1S%2FC6H11NO%2Fc8-6-4-2-1-3-5-7-6%2Fh1-5H2%2C%28H%2C7%2C8%29,0.135010167956352,0.341227769851685,4.99447393417358,2.0,0.0,0.0,102.071997642517,0.718977868556976,0.0353553406894207,0.0,0.145810529589653,0.586434066295624,9.13445663452148,-0.348282009363174,1.77221941947937,78.4588088989258,349.253570556641,1.33399379253387,8.66446208953857,-58.3860931396484,359.273864746094,16.8194713592529,2.63582062721252,10.2179288864136,-19.2693214416504,390.70556640625,9.99655437469482,391.257781982422,2.66418385505676,0.0,0.0,0.769630372524261,10.9038352966309,305.019989013672,0.572730004787445,15.9949169158936,3.11111111111111,0.0495535768568516,2.22222222222222,0.0,65.222282409668,0.0,-1.12339997291565,11.9945440292358,0.281022101640701,0.25,89.271957397461,0.490040332078934,1.89999997615814,66.4328384399414,0.2303696423769,0.0,5.74788236618042,0.288675129413605,,-0.171432435512543,13.3452768325806,0.0,-0.0565783083438873,0.0,0.333333343267441,1.48348951339722,0.0,244.867965698242,1.02604758739471,0.354836046695709,1.0,7.25627708435059,0.149716675281525,0.9525,0.144337564706802,-0.0923533365130424,5.84190702438354,7.09578466415405,0.0312913693487644,2.44179677963257,0.0,26.2858009338379,0.40824830532074,-0.00867316219955683,262.119079589844,0.433012694120407,14.9901323318481,-0.00512320687994361,0.0,195.059173583984,0.40824830532074,0.117416575551033,0.0,16.8768520355225,53.0,0.100000001490116,4.79174661636353,0.519988656044006,0.106066018342972,0.822000026702881,0.0,0.100000001490116,0.0,32.59,2.0,3.11111116409302,0.0,26.7213344573975,0.0,3.0,0.0,0.0,2.22222232818604,0.0,183.660278320312,-19.8850116729736,4.92996120452881,0.0,0.467983245849609,253.445266723633,30.59,95.7099151611328,0.0707106813788414,-6.56270456314087,3.11699485778809,0.0,0.0,36.1461715698242,0.418953388929367,2.10860872268677,0.0,1.0,0.0,0.0,0.32396474480629,1.35281479358673,0.294441163539886,0.858864784240723,1.26202750205994,0.538210809230804
InChI%3D1S%2FC7H7Cl3NO3PS%2Fc1-12-15%2816%2C13-2%2914-7-5%289%293-4%288%296%2810%2911-7%2Fh3H%2C1-2H3,0.298913925886154,0.818833470344543,10.2907762527466,5.0,3.30192732810974,3.0,315.480996131897,0.922437131404877,0.421062976121902,1.0,0.22916679084301,1.36618161201477,53.5998229980469,-0.31248414516449,2.34993028640747,230.349609375,969.223388671875,1.4977935552597,36.3745613098145,-330.952239990234,1097.64379882812,3.43902993202209,6.57466411590576,51.1480140686035,-31.7460308074951,1481.35949707031,58.7547569274902,1418.34838867188,50.1561470031738,1.5,4.0,0.514975070953369,0.275003880262375,289.089996337891,0.739884674549103,34.971061706543,5.55765595463138,0.0284796953201294,3.49519890260631,0.333333343267441,1054.77124023438,1.48600459098816,3.20760011672974,11.9985513687134,0.0775628536939621,0.5,116.153686523438,0.594962656497955,1.24000000953674,166.882522583008,0.485024958848953,3.0,6.42365407943726,1.80055010318756,,-0.69685423374176,22.3204498291016,0.0,-0.0668445527553558,0.284517794847488,1.0,3.40952301025391,0.25,438.086822509766,2.6831591129303,0.228353053331375,0.0,27.6426181793213,0.587785661220551,4.5885,0.797337174415588,-0.471382975578308,0.0,9.73690795898438,0.367950886487961,2.82842707633972,1.0,70.8383026123047,3.75468635559082,-0.305433213710785,244.573608398438,4.28588771820068,59.040901184082,0.127777829766273,4.0,351.388427734375,5.41668701171875,0.132757872343063,3.0,13.5256681442261,194.0,2.60245728492737,4.83208608627319,0.464439272880554,2.49464178085327,3.3289999961853,0.0,2.58141398429871,7.0,82.48,3.0,5.55765581130981,0.0555555559694767,109.398376464844,0.0,11.0,0.0,0.0,3.49519896507263,0.205950379371643,14.2240028381348,-157.176910400391,12.2173748016357,0.0161374304443598,0.216799408197403,682.340637207031,68.424,36.8364028930664,1.41261446475983,-15.0769271850586,7.5323600769043,0.0,0.111803397536278,45.2716979980469,0.737086653709412,6.77298021316528,0.0614824593067169,0.0,0.112873218953609,0.0,0.438391596078873,4.85276556015015,0.208002269268036,2.19068694114685,10.2886981964111,1.51746463775635
InChI%3D1S%2FC11H10Cl2F2N4O3S%2Fc1-5-16-19%2811%2820%2918%285%2910%2814%2915%299-4-8%2817-23%282%2C21%2922%296%2812%293-7%289%2913%2Fh3-4%2C10%2C17H%2C1-2H3,0.303752869367599,1.00670182704926,13.9662599563599,5.0,7.00029993057251,6.0,377.114993095398,0.785585761070251,0.625720381736755,0.0,0.23062838613987,0.881703019142151,51.3207092285156,-0.259612262248993,4.13444900512695,385.135650634766,1715.40173339844,1.38702726364136,39.8184700012207,-800.635498046875,2019.287109375,5.09704685211182,8.95010852813721,55.7024345397949,-63.5308837890625,2960.32543945312,59.2339859008789,2874.5966796875,74.6684112548828,0.0,4.0,0.449931085109711,0.220155626535416,790.119995117188,0.935334801673889,34.970157623291,7.08692476260044,0.0396110974252224,4.34567901234568,0.80820620059967,2672.43530273438,3.11506390571594,0.762399971485138,11.9985275268555,0.214414238929749,0.5,220.566360473633,0.564140439033508,1.35000002384186,458.522186279297,0.550068914890289,4.0,19.4182529449463,3.34349370002747,,-1.14350533485413,27.7584838867188,0.200000002980232,-0.0907378047704697,0.602027714252472,1.0,6.86936473846436,0.166666666666667,550.034912109375,4.81751537322998,0.296031206846237,0.0,48.5404586791992,0.699753224849701,3.4966,2.38838219642639,-0.46362242102623,0.333333343267441,11.5428628921509,0.349033504724503,6.08969736099243,0.0,83.2827987670898,4.78810119628906,-0.345245897769928,315.023254394531,8.30449390411377,95.1330490112305,0.101094111800194,4.0,654.882995605469,11.290379524231,0.0631309300661087,0.0,27.7340641021729,367.0,1.84699952602386,3.75050091743469,0.437118619680405,2.5528392791748,2.52500009536743,0.078567422926426,3.0750207901001,5.0,94.37,7.0,7.08692455291748,0.303412228822708,269.656158447266,0.0288675129413605,15.0,0.595275402069092,0.0,4.34567880630493,0.617656052112579,-70.1123886108398,-560.572082519531,13.8193988800049,0.0925863832235336,0.124809250235558,1455.5185546875,82.3447,150.124038696289,1.37206614017487,-44.4817161560059,7.96466159820557,0.0,0.0722591653466225,91.2649459838867,0.769944190979004,6.5626916885376,0.159043774008751,0.0,0.177370935678482,3.0,0.3857681453228,3.87579941749573,0.145843312144279,2.85938143730164,0.58125376701355,1.79836523532867
InChI%3D1S%2FC6H10O4S2%2Fc1-5-6%282%2912%289%2C10%294-3-11%285%2C7%298%2Fh3-4H2%2C1-2H3,0.266498476266861,0.98984706401825,7.03224182128906,4.0,1.0,2.0,200.195999145508,0.571505606174469,0.247461766004562,0.0,0.148434311151505,0.636553466320038,27.3533821105957,-0.313254207372665,2.65983986854553,169.487350463867,1133.42126464844,1.5638120174408,28.9047393798828,-160.75862121582,1301.27233886719,9.09932422637939,3.73584866523743,34.2243843078613,-35.3305587768555,1954.45104980469,33.4524269104004,1747.31066894531,21.5539665222168,0.0,0.0,0.536595523357391,0.0373812131583691,352.059997558594,0.508960485458374,31.9751644134521,2.75,0.0191975776106119,1.70132325141777,1.15470051765442,748.698120117188,2.82842707633972,-0.374000012874603,11.9989995956421,0.428494364023209,0.400000005960464,71.7796249389648,0.62753963470459,1.46000003814697,68.0829238891602,0.463404446840286,0.0,2.56803274154663,2.43428707122803,,-0.439538776874542,23.884069442749,0.0,-0.0965991839766502,0.888071179389954,0.666666686534882,2.45323276519775,0.0,209.024688720703,1.91871500015259,0.37823498249054,0.0,14.0079574584961,0.324301987886429,2.2426,0.20833332836628,-0.0540415570139885,1.0,12.2750082015991,0.0306772291660309,1.63299322128296,0.0,47.146598815918,4.67830371856689,-0.144587486982346,196.256530761719,5.56049585342407,27.3654766082764,-0.192828223109245,0.0,186.149185180664,7.9629077911377,0.0905192717909813,0.0,7.02139616012573,94.0,2.93629193305969,7.4248366355896,0.54846179485321,3.81399273872375,-0.582000017166138,0.0,5.22934675216675,0.0,85.04,4.0,2.75,0.0416666679084301,61.9889602661133,0.0,8.0,1.62865054607391,0.0,1.70132327079773,0.25,26.7691917419434,-58.7964820861816,7.78142642974854,0.0939849615097046,0.23528091609478,346.907806396484,46.036,156.719192504883,1.28307926654816,-12.9219360351562,5.2593731880188,0.0,0.102189891040325,42.3519554138184,0.489183604717255,5.27919578552246,0.341446727514267,0.0,0.510542154312134,4.0,0.38781064748764,4.37070941925049,0.185918897390366,2.87352848052979,0.139875993132591,2.05656957626343
InChI%3D1S%2FC10H12ClNO2%2Fc1-7%282%2914-10%2813%2912-9-5-3-4-8%2811%296-9%2Fh3-7H%2C1-2H3%2C%28H%2C12%2C13%29,0.283843725919724,0.276656687259674,12.5796670913696,3.0,1.98270320892334,6.0,201.567995071411,0.871791064739227,0.0939000621438026,0.0,0.353272557258606,0.782120048999786,23.6216793060303,-0.325496584177017,1.67892324924469,190.709762573242,717.239807128906,1.26990461349487,17.2803840637207,-225.872192382812,773.147521972656,8.19230461120605,10.1186237335205,24.7814311981201,-24.5691585540771,946.474548339844,20.3983058929443,800.034729003906,20.8851184844971,0.0,3.0,0.62249892950058,0.904277205467224,494.040008544922,0.737273216247559,34.9693794250488,5.77777777777778,0.0382182151079178,4.88888888888889,1.19389832019806,653.271606445312,2.49915194511414,1.84669995307922,11.9985313415527,0.12820890545845,0.5,158.872299194336,0.607365548610687,2.11999988555908,188.164642333984,0.377501040697098,1.0,9.75393676757812,1.18972265720367,41.8199996948242,-0.447103440761566,16.7744846343994,0.0,-0.0486334972083569,0.0,1.0,3.24380040168762,0.214285714285714,440.420166015625,1.84395241737366,0.133463248610497,1.0,26.2154922485352,0.300720065832138,3.3105,0.556294977664948,-0.249794781208038,3.53277564048767,8.86951637268066,0.169149279594421,5.98511123657227,0.0,60.0227012634277,1.31986618041992,-0.0679980739951134,314.480255126953,2.30465960502625,52.0821228027344,0.0127077400684357,3.0,372.463073730469,2.19481444358826,0.0621733516454697,1.0,19.3074607849121,176.0,0.483002573251724,4.98241329193115,0.454251259565353,0.584433495998383,2.32800006866455,0.0,0.464042842388153,7.0,41.82,3.0,5.77777767181396,0.0833333358168602,96.3446731567383,0.0,10.0,0.0,0.0,4.88888883590698,0.142258897423744,123.770492553711,-114.108383178711,8.82332038879395,0.0277777779847383,0.274749398231506,598.335266113281,57.3968,64.7698669433594,0.540044903755188,-12.4120941162109,4.65366125106812,0.5,0.0,43.8766174316406,0.916679680347443,3.477290391922,0.043919637799263,1.0,0.0,0.0,0.208287864923477,1.60915231704712,0.239617377519608,1.07780790328979,3.41030097007751,0.538180232048035
InChI%3D1S%2FC12H16ClNOS%2Fc1-3-14%284-2%2912%2815%2916-9-10-5-7-11%2813%298-6-10%2Fh5-8H%2C3-4%2C9H2%2C1-2H3,0.261493712663651,0.839963138103485,13.371434211731,3.0,0.793700516223907,5.0,241.657996177673,0.95555830001831,0.48274952173233,0.0,0.28464263677597,1.64338898658752,30.9749641418457,-0.267500817775726,2.19612693786621,211.115921020508,1105.55578613281,1.64795577526093,22.121955871582,-216.759307861328,1197.79089355469,4.52468633651733,9.5319185256958,31.1289596557617,-20.8206195831299,1458.7119140625,31.7450771331787,1371.47229003906,24.7933387756348,0.0,6.0,0.615771293640137,0.856826364994049,784.039978027344,0.632231593132019,34.9688529968262,7.35,0.0258158799260855,4.81663516068053,3.01045894622803,1010.85333251953,1.10064244270325,2.76769995689392,11.8500003814697,0.0444417148828506,0.5,185.901000976562,0.650672852993011,2.33999991416931,190.870361328125,0.384228736162186,1.0,7.79379987716675,0.89516818523407,45.6100006103516,-0.394499629735947,23.1293125152588,0.0,-0.0378933064639568,0.117851130664349,1.0,3.44549965858459,0.375,525.035095214844,2.21497464179993,0.164240196347237,0.0,40.2070426940918,0.237367153167725,4.035,0.727913200855255,-0.187085449695587,6.21063280105591,10.3502635955811,0.143806740641594,8.25508785247803,0.0,74.3812026977539,1.9591121673584,-0.082731194794178,338.337860107422,2.42052221298218,87.9800338745117,0.014423456043005,6.0,347.382019042969,2.31119966506958,0.12290296703577,0.0,14.1846332550049,246.0,1.14199006557465,5.79654502868652,0.542551755905151,1.40148568153381,1.98500001430511,0.0,1.19400525093079,9.0,45.61,2.0,7.34999990463257,0.0833333358168602,115.998443603516,0.0,6.0,0.0,1.0,4.81663513183594,0.142258897423744,127.22191619873,-119.099220275879,11.1448211669922,0.0277777779847383,0.260456949472427,564.141357421875,71.064,24.4186668395996,0.530440151691437,-11.4399681091309,6.69466495513916,0.0,0.0,35.0052528381348,0.512072622776031,4.71636581420898,0.0511388927698135,0.0,0.0559016987681389,1.0,0.454731166362762,3.53200483322144,0.254628509283066,2.34814858436584,7.66016340255737,1.39078009128571
InChI%3D1S%2FC14H16O6%2Fc1-3-18-12%2815%299-20-14%2817%2911-8-6-5-7-10%2811%2913%2816%2919-4-2%2Fh5-8H%2C3-4%2C9H2%2C1-2H3,0.295694619417191,0.387391597032547,13.2848777770996,6.0,4.32963848114014,4.0,264.147993087769,0.719826400279999,0.204248741269112,0.0,0.194255724549294,0.823803842067719,24.6468143463135,-0.314549595117569,4.59189653396606,218.173629760742,920.075134277344,1.24625217914581,22.9888286590576,-438.721984863281,1016.77294921875,1.52130937576294,7.86917734146118,30.31223487854,-41.0432090759277,1289.36865234375,32.2019500732422,1331.41723632812,32.9776573181152,0.608220219612122,9.0,0.633435487747192,3.14114594459534,916.059997558594,1.27376568317413,15.9999361038208,9.8496,0.0442913584411144,6.12,2.4896399974823,1196.66528320312,1.79132831096649,1.24249994754791,11.8900003433228,0.280173599720001,0.5,224.391357421875,0.463369309902191,2.33999991416931,451.225128173828,0.366564482450485,0.0,15.6899919509888,1.03224515914917,78.9000015258789,-0.737118899822235,26.1133117675781,0.0,-0.0689587667584419,0.248005643486977,1.0,4.66928100585938,0.45,428.429748535156,3.28544139862061,0.345648378133774,0.0,46.3999290466309,0.850766003131866,1.5832,1.25108897686005,-0.526425659656525,5.29627513885498,9.53984546661377,0.116195566952229,11.0235061645508,0.0,71.9337005615234,2.35373115539551,0.202155575156212,377.011199951172,3.59164381027222,89.452507019043,-0.578171849250793,9.0,758.126037597656,4.83167171478271,0.0620106421411037,3.0,26.3615436553955,354.0,0.571114242076874,4.08995914459229,0.499451071023941,0.732654929161072,1.49500000476837,0.0,0.738219618797302,9.0,78.9,6.0,9.84959983825684,0.0833333358168602,129.853637695312,0.0,12.0,0.512992799282074,0.0,6.11999988555908,0.096225045621395,158.837585449219,-261.120666503906,11.3802108764648,0.0277777779847383,0.15619558095932,1196.84802246094,69.314,166.755081176758,0.286596477031708,-24.4282970428467,6.18588733673096,2.3292121887207,0.0,67.4047546386719,0.85690426826477,3.64720773696899,0.0277777779847383,0.0,0.0448895953595638,3.0,0.283431828022003,2.26876330375671,0.146454155445099,1.45283901691437,1.54380619525909,0.817119419574738
InChI%3D1S%2FC3H6N6O6%2Fc10-7%2811%294-1-5%288%2812%2913%293-6%282-4%299%2814%2915%2Fh1-3H2,,0.266233772039413,6.28168487548828,9.0,0.0,0.0,216.068996429443,1.0,0.113099835813046,0.0,0.102049119770527,1.02817261219025,21.8067417144775,,2.30489683151245,265.660797119141,512.030212402344,1.43368864059448,20.3978710174561,-272.579559326172,590.584045410156,0.63740748167038,2.94861555099487,28.7212791442871,-30.1002769470215,793.209838867188,27.6435871124268,745.153259277344,26.2201118469238,0.0,3.0,0.402883797883987,2.44490933418274,231.119995117188,0.413376361131668,,5.36507936507936,0.0333475880324841,3.5,0.0,545.465576171875,0.0,-1.65719997882843,,0.0,0.333333343267441,79.7474899291992,0.467716932296753,0.469999998807907,81.8244094848633,0.597116231918335,0.0,6.6008768081665,1.5,,-0.612667262554169,12.3072423934937,0.0,-0.0676553100347519,0.5,0.5,3.08827424049377,0.2,444.906372070312,2.83909130096436,0.366923332214355,0.0,12.197772026062,0.263083457946777,-0.2631,0.856304705142975,-0.214691951870918,1.5,,0.38452285528183,0.0,0.0,28.8591003417969,2.99156379699707,-0.391737699508667,179.245559692383,2.87944531440735,25.4671802520752,0.226417884230614,3.0,183.913772583008,4.55764055252075,0.163677841424942,0.0,14.8365535736084,147.0,0.654698491096497,,0.50503134727478,0.652071237564087,0.699000000953674,0.0,0.734403192996979,3.0,147.18,3.0,5.36507940292358,0.0680413842201233,118.194175720215,0.0,4.0,3.1143274307251,0.0,3.5,0.117851130664349,-86.4152297973633,-121.272384643555,7.25409173965454,0.0316227748990059,0.112718388438225,456.493347167969,40.9446,0.0,0.400000005960464,-13.3918046951294,3.59281182289124,0.0,0.0,44.9368286132812,0.468774735927582,2.65711736679077,0.0424264073371887,0.0,0.0500000007450581,6.0,0.460940331220627,1.6722936630249,0.106836728751659,1.00931572914124,2.74631190299988,0.667389750480652
InChI%3D1S%2FC10H7N3S%2Fc1-2-4-8-7%283-1%2912-10%2813-8%299-5-14-6-11-9%2Fh1-6H%2C%28H%2C12%2C13%29,0.0828345492482185,1.03595471382141,9.1448221206665,2.0,3.30192732810974,6.0,194.197998046875,0.935960352420807,0.670545279979706,0.0,0.264304965734482,1.10261297225952,21.2077178955078,-0.328225016593933,1.77123928070068,130.690902709961,1046.23681640625,1.48457360267639,20.3366813659668,-155.582305908203,1226.00463867188,2.89897584915161,6.2709698677063,27.4727191925049,-17.381103515625,1694.97827148438,20.3868732452393,1269.35095214844,19.2240390777588,0.0,1.0,0.693455576896667,0.505771338939667,659.039978027344,0.825531125068665,31.9720726013184,3.86776859504132,0.0430005304515362,1.76,0.0,1042.81079101562,0.0,-0.0619000010192394,11.9944229125977,0.0640396475791931,0.428571432828903,126.04411315918,0.5300332903862,2.11999988555908,150.050476074219,0.306544423103333,0.0,7.81587696075439,0.666666686534882,,-0.364928871393204,18.4716911315918,1.14471423625946,-0.0407685600221157,0.16666667163372,0.75,4.59271669387817,0.0625,399.033538818359,3.23723077774048,0.193687662482262,0.0,19.97483253479,0.195644080638885,2.6864,1.57757937908173,-0.12717941403389,4.68483638763428,10.2008304595947,-0.0122238481417298,8.68047523498535,0.0,62.8261985778809,1.79911375045776,0.0627132728695869,295.645050048828,2.91918921470642,41.3668022155762,-0.0218615140765905,1.0,351.95361328125,3.5646960735321,0.120572380721569,0.0,18.3326721191406,177.0,0.851616382598877,6.97246885299683,0.494270086288452,1.36096084117889,0.776000022888184,0.240562617778778,1.33763945102692,0.0,69.81,3.0,3.86776852607727,0.358304977416992,55.7182312011719,0.212861090898514,8.0,0.0,1.0,1.75999999046326,0.537174642086029,164.954132080078,-66.3303298950195,8.60305976867676,0.192339852452278,0.253031075000763,507.535919189453,57.2017,27.3024044036865,0.34552201628685,-7.41018915176392,6.02056169509888,0.0,0.0,35.7137756347656,0.688822329044342,4.66793203353882,0.215128555893898,0.0,0.0502961166203022,0.0,0.460270255804062,3.66204619407654,0.108870349824429,2.94604754447937,0.00383161008358002,1.62337851524353
InChI%3D1S%2FC7H13N3O3S%2Fc1-8-7%2812%2913-9-5%2814-4%296%2811%2910%282%293%2Fh1-4H3%2C%28H%2C8%2C12%29,0.303630888462067,0.123080663383007,12.6984786987305,7.0,1.31037068367004,0.0,206.161997795105,0.763374149799347,0.0519884414970875,0.0,0.216607078909874,0.875049293041229,23.5311241149902,-0.324189305305481,3.92316269874573,163.383804321289,718.696838378906,1.3153783082962,18.8864231109619,-242.916564941406,746.991577148438,7.17069053649902,7.90026617050171,23.3808555603027,-32.2186012268066,879.05810546875,27.8798160552979,869.51220703125,22.164493560791,0.0,5.0,0.679058909416199,1.5410578250885,494.070007324219,1.00961458683014,31.972677230835,7.3125,0.0374115481972694,5.48096885813149,0.0,706.517272949219,3.5361020565033,0.532599985599518,11.9984836578369,0.236625880002975,0.5,175.984680175781,0.573172390460968,1.46000003814697,261.6513671875,0.320941060781479,0.0,9.6955633163452,0.981125235557556,99.7900009155273,-0.477170348167419,22.6656913757324,0.333333343267441,-0.0632882341742516,0.288675129413605,1.0,2.08585000038147,0.384615384615385,388.616424560547,1.21754932403564,0.30894747376442,2.0,41.3401107788086,0.500825941562653,0.3115,0.380336970090866,-0.35731640458107,0.0,10.4972229003906,0.0755857601761818,0.0,0.0,53.7678985595703,2.22305798530579,0.117517948150635,345.693450927734,2.19790649414062,81.159896850586,-0.0335905402898788,5.0,513.971801757812,2.36686515808105,0.0689097717404366,1.0,19.0453681945801,161.0,0.739745199680328,4.60395860671997,0.372931122779846,0.80246776342392,0.953999996185303,0.0,0.786946952342987,14.0,99.79,4.0,7.3125,0.0,83.1749801635742,0.0,9.0,0.16666667163372,1.0,5.48096895217896,0.0,182.309661865234,-123.663299560547,9.33009624481201,0.0,0.217999920248985,756.888366699219,56.7168,120.46085357666,0.447005808353424,-16.4017581939697,4.91400766372681,0.70710676908493,0.0,51.2639694213867,0.722450256347656,3.19255828857422,0.0,1.0,0.0706435441970825,1.0,0.369274765253067,1.8198299407959,0.204176470637321,0.94701474905014,0.283662766218185,0.480935782194138
InChI%3D1S%2FC12H14N4O4S2%2Fc1-19-11%2817%2915-9%2821%2913-7-5-3-4-6-8%287%2914-10%2822%2916-12%2818%2920-2%2Fh3-6H%2C1-2H3%2C%28H2%2C13%2C15%2C17%2C21%29%28H2%2C14%2C16%2C18%2C22%29,0.286839962005615,0.393195003271103,12.8913097381592,10.0,4.32350397109985,6.0,328.28999710083,0.766397535800934,0.235042124986649,0.0,0.0762706845998764,2.15203833580017,38.7933349609375,-0.343953132629395,5.13119602203369,267.427825927734,1360.98071289062,1.32665979862213,28.6616039276123,-658.910583496094,1492.92895507812,2.83466768264771,5.60807514190674,41.601375579834,-41.0851821899414,1883.67993164062,38.6935348510742,1902.40283203125,48.4480857849121,0.090909093618393,6.0,0.534821927547455,0.328177362680435,834.099975585938,1.31773805618286,31.9730739593506,10.7142857142857,0.0500415302813053,7.90842872008325,1.00394487380981,1855.13806152344,2.11601543426514,2.48860001564026,11.9962186813354,0.233602464199066,0.461538463830948,176.759963989258,0.492412656545639,1.67999994754791,435.515686035156,0.465178072452545,0.0,16.5388488769531,1.48803389072418,185.960006713867,-1.14614391326904,28.9768981933594,1.67667174339294,-0.0714657381176949,0.0833333358168602,0.857142865657806,4.83826780319214,0.272727272727273,440.596923828125,3.43329286575317,0.398035287857056,4.0,51.8874588012695,0.74254035949707,2.642,1.48136377334595,-0.68756365776062,3.96540641784668,10.4955835342407,0.554872155189514,6.8165454864502,0.0,90.0426025390625,2.47690725326538,-0.386142015457153,307.465606689453,3.63153743743896,126.706108093262,0.212169349193573,6.0,757.558959960938,4.50553750991821,0.16693714261055,2.0,28.7685470581055,420.0,0.662158608436584,4.64248180389404,0.486592262983322,0.850423991680145,1.15400004386902,0.0,0.922981262207031,8.0,185.96,8.0,10.7142858505249,0.0833333358168602,153.74250793457,0.0,18.0,0.090909093618393,0.0,7.90842866897583,0.117851130664349,40.0377807617188,-378.803375244141,13.4924612045288,0.0277777779847383,0.132010400295258,1416.46960449219,92.7496,134.296524047852,0.479077249765396,-23.6196022033691,6.6298041343689,0.852802872657776,0.0,69.8537292480469,0.573003888130188,4.30932474136353,0.0248451996594667,2.0,0.0166666675359011,0.0,0.34765487909317,2.47907018661499,0.115948215126991,1.56766033172607,6.1931300163269,0.95037716627121
InChI%3D1S%2FCH2O%2Fc1-2%2Fh1H2,0.194552898406982,0.0,0.956564962863922,1.0,0.0,0.0,28.0099992752075,0.624446988105774,0.0,0.0,0.162713825702667,1.88161819458799e-10,2.77446913719177,-0.394532114267349,0.430181533098221,109.358840942383,11.6959047317505,1.42380809783936,1.33209192752838,-33.5208015441895,5.77306795120239,109.358840942383,0.526383459568024,0.0,-33.5208015441895,0.0,0.0,0.0,0.0,0.0,0.0,0.624446988105774,27.6555805206299,7.01000022888184,0.191406220197678,16.0059242248535,0.0,0.0642285570502281,0.0,0.0,0.0,0.0,-0.884100019931793,11.9889917373657,0.375553011894226,0.0,52.9493827819824,0.495183855295181,1.46000003814697,16.2301063537598,0.375553011894226,0.0,5.44619846343994,0.0,17.0699996948242,-0.115114949643612,3.14441394805908,0.0,-0.115114949643612,0.0,0.0,0.0,0.0,181.835311889648,0.0,0.44971489906311,0.0,0.226440444588661,0.156959161162376,-0.1849,0.0,-0.0784795805811882,0.0,2.69605612754822,0.0,0.0,0.0,6.30700016021729,0.0,0.0,181.835311889648,0.0,1.18300545215607,0.0,0.0,55.7363739013672,0.0,1.96705735033831e-10,0.0,18.7029800415039,2.0,0.0,2.12494397163391,0.5,0.0,0.0209999997168779,0.0,0.0,1.0,17.07,1.0,0.0,0.0,31.8446559906006,0.0,1.0,0.0,0.0,0.0,0.0,72.4764785766602,-9.76106071472168,1.11535501480103,0.0,1.0,89.2571716308594,7.121,109.358840942383,0.0,-9.76106071472168,0.288675129413605,0.0,0.0,52.2237815856934,0.6674565076828,0.0,0.0,0.0,0.0,1.0,0.428624272346497,0.0,0.347584366798401,0.0,0.781632781028748,0.0
InChI%3D1S%2FC9H21O2PS3%2Fc1-6-10-12%2813%2C11-7-2%2915-8-14-9%283%2C4%295%2Fh6-8H2%2C1-5H3,0.219310730695724,5.70128536224365,13.3448190689087,5.0,0.0,0.0,267.272001266479,0.990855991840363,1.64316761493683,1.0,0.233355060219765,1.45893549919128,40.5826110839844,-0.322603613138199,3.28550243377686,97.2242126464844,1156.08557128906,1.38657116889954,36.3139381408691,-105.503128051758,1234.228515625,0.548612952232361,8.60038089752197,52.6656303405762,-8.32869529724121,1508.74377441406,36.389705657959,1294.44665527344,41.1720733642578,0.5,8.0,0.817672371864319,0.133560210466385,1015.05999755859,0.887299478054047,31.9740753173828,6.55401662049861,0.0233497321605682,7.875,3.59944701194763,1126.73022460938,0.0,3.69370007514954,11.8900003433228,0.00914398953318596,0.5,232.500091552734,0.520945370197296,1.78999996185303,252.298126220703,0.182327643036842,0.0,6.63935232162476,2.48743677139282,110.959999084473,-0.197853356599808,35.4093475341797,0.0,-0.0156190665438771,0.0,1.0,2.62760186195374,0.571428571428571,528.363037109375,1.15533006191254,0.246200606226921,0.0,45.5973091125488,0.323013633489609,5.1569,0.353553384542465,-0.255111306905746,0.75,12.2781000137329,0.203384175896645,0.0,1.0,76.9517974853516,2.18566012382507,-0.193389430642128,436.014801025391,3.0909903049469,100.166648864746,0.121190220117569,8.0,473.142669677734,2.10485434532166,0.109325982630253,2.0,12.4509878158569,176.0,4.59107398986816,5.31668376922607,0.459341734647751,7.70150947570801,4.50099992752075,0.0,7.24458932876587,15.0,110.96,2.0,6.55401659011841,0.0,51.8437385559082,0.0,4.0,0.0,2.0,7.875,0.0,338.790588378906,-56.2583808898926,13.4536924362183,0.0,0.296367108821869,578.645812988281,77.565,4.87593173980713,4.52800750732422,-4.44118547439575,10.2177677154541,0.0,0.947782635688782,20.7796840667725,0.710717618465424,12.2639818191528,0.0,0.0,0.0,0.0,0.406284093856812,8.61229228973389,0.202039510011673,8.20345878601074,13.6434192657471,5.30291700363159
InChI%3D1S%2FC18H24N2O6%2Fc1-3-5-6-7-8-9-11-14-12-15%2819%2822%2923%2918%2816%2813-14%2920%2824%2925%2926-17%2821%2910-4-2%2Fh4%2C10%2C12-13H%2C3%2C5-9%2C11H2%2C1-2H3,,1.02587997913361,20.3097057342529,6.0,4.64039134979248,7.0,340.205991744995,0.938374698162079,0.63264262676239,0.0,0.252679944038391,2.10685729980469,31.3667907714844,,4.59047269821167,253.173889160156,1330.12426757812,1.26278114318848,29.5425109863281,-422.537506103516,1474.01574707031,1.13245856761932,13.6123762130737,38.6448822021484,-31.7156276702881,1877.1064453125,42.0888671875,2014.11572265625,47.7721710205078,0.0,12.0,0.64654541015625,2.25740122795105,1850.07995605469,1.07905948162079,,13.2231404958678,0.0275943875312805,8.71005917159763,3.54737591743469,1967.27160644531,1.35085594654083,0.931100010871887,,0.0616252757608891,0.5,331.718414306641,0.446970790624619,2.55999994277954,553.625366210938,0.35345458984375,0.0,14.1576547622681,1.56771421432495,94.5800018310547,-0.58990216255188,31.6229686737061,0.0,-0.0442780070006847,0.383276641368866,1.0,5.94012260437012,0.461538461538462,672.142822265625,4.70700168609619,0.226023584604263,0.0,100.838043212891,0.386456578969955,5.9339,2.19306755065918,-0.135092437267303,13.2283449172974,,-0.0165358185768127,12.7224225997925,0.0,70.4521026611328,3.08633852005005,-0.00755815440788865,463.110168457031,4.62620306015015,252.799453735352,0.0452958308160305,12.0,772.913146972656,7.08583450317383,0.103736467659473,1.0,19.7654190063477,602.0,0.750617384910583,,0.446823060512543,0.984640419483185,1.82599997520447,0.0,1.17559278011322,8.0,117.94,1.0,13.2231407165527,0.0555555559694767,181.34440612793,0.0,17.0,2.07621812820435,0.0,8.71005916595459,0.142717450857162,209.936279296875,-302.656890869141,15.1030654907227,0.020833333954215,0.161645844578743,1195.45068359375,101.615,44.1412010192871,0.420629739761353,-22.7173976898193,8.70460224151611,1.43587291240692,0.0,51.4810485839844,0.672070503234863,5.91627931594849,0.0418704636394978,0.0,0.0478688888251781,5.0,0.36898735165596,3.82730865478516,0.174224615097046,2.55548405647278,0.86694723367691,1.68630254268646
InChI%3D1S%2FC22H23ClN2O9%2Fc1-21%2833%2911-6%2823%294-5-7%2826%298%2811%2915%2827%299-12%2821%2917%2829%2913-14%2825%282%293%2916%2828%2910%2820%2824%2932%2919%2831%2922%2813%2C34%2918%289%2930%2Fh4-5%2C12-14%2C17%2C26-27%2C29%2C32-34H%2C24H2%2C1-3H3,,2.89141702651978,18.298942565918,10.0,33.2407188415527,8.0,471.699988365173,0.562154233455658,1.93312275409698,0.0,0.258725464344025,1.91085517406464,49.4029502868652,,3.97590279579163,312.229125976562,3037.45874023438,1.43420112133026,42.6053047180176,-1213.60681152344,3883.44995117188,1.52752208709717,12.4121837615967,73.2652435302734,-78.5964431762695,6366.54833984375,102.415489196777,7939.1787109375,127.433067321777,0.0,1.0,0.579111754894257,1.29108500480652,2359.1201171875,2.25095582008362,,8.79084287200832,0.0577136278152466,3.51734072022161,0.812641024589539,7994.6630859375,9.74951362609863,-3.22429990768433,,0.437845766544342,0.454545468091965,318.695220947266,0.487460434436798,2.55999994277954,1238.73999023438,0.420888245105743,1.0,31.7608089447021,4.28878307342529,201.850006103516,-1.63595521450043,28.6645545959473,0.0,-0.105948865413666,1.99774813652039,0.833333313465118,13.4533796310425,0.027027027027027,417.024993896484,10.9685115814209,0.217275008559227,0.0,80.6649017333984,0.962012469768524,-2.1639,5.71649074554443,-0.161313682794571,1.0,,-0.00809720903635025,6.67383241653442,0.0,93.9814987182617,10.8556604385376,-0.364670753479004,429.604644775391,21.2103939056396,193.263854980469,-0.260594606399536,1.0,1669.8349609375,36.0773658752441,0.104424349963665,0.0,42.8139190673828,616.0,4.47846221923828,,0.533968329429626,7.35136604309082,0.0540000014007092,0.0,10.6620197296143,3.0,203.05,10.0,8.79084300994873,0.151780605316162,231.622116088867,0.0,15.0,6.59288120269775,0.0,3.51734066009521,0.679380238056183,117.375518798828,-900.294494628906,19.0305862426758,0.0837651267647743,0.0996971055865288,2883.44189453125,117.7689,324.808776855469,2.07464027404785,-58.3055000305176,10.562237739563,0.0,0.096824586391449,121.410362243652,0.798093438148499,9.58513164520264,0.275249153375626,6.0,0.663078248500824,3.0,0.412772327661514,7.38569402694702,0.0563883185386658,6.01271295547485,10.396110534668,4.43105220794678