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

SMILES,SPC-4,MDEO-22,MDEC-22,VC-3,MDEC-33,MDEO-11,ECCEN,MDEC-23,VPC-4,TopoPSA,ATSc1,ATSm1,VC-5,VPC-5,MDEC-13,VP-3,MDEO-12,ATSc2,ATSm2,geomShape,VPC-6,khs.ssS,ATSm3,VP-4,ATSc3,VCH-7,ATSc4,ATSm4,fragC,VP-5,khs.dsssP,ATSm5,SC-3,khs.dO,VP-6,ATSc5,SCH-5,Kier2,SC-5,khs.sOH,Kier3,SCH-7
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%2C4-6H2,3.48787593841553,0.0,7.63563060760498,1.4749641418457,2.18224716186523,0.0,301.0,10.8951015472412,2.23521614074707,,0.422011852264404,80.5380325317383,0.124996617436409,3.84781551361084,0.0,4.8261604309082,0.0,-0.204527392983437,33.411247253418,0.605236291885376,4.60160636901855,0.0,53.8253860473633,4.03802442550659,-0.0625816434621811,0.297251284122467,0.0842152461409569,54.1557273864746,1064.06994628906,2.58812427520752,0.0,63.4700775146484,1.74481725692749,0.0,1.76239788532257,-0.0374845713376999,0.246399641036987,6.01171875,0.260110020637512,0.0,3.12244892120361,0.511249542236328
InChI%3D1S%2FC12H14N2%2Fc1-13-7-3-11%284-8-13%2912-5-9-14%282%2910-6-12%2Fh3-10H%2C1-2H3,1.75930559635162,0.0,9.90748405456543,0.697213590145111,1.0,0.0,200.0,8.59655952453613,1.33956229686737,,0.197275653481483,14.7199764251709,0.0625,1.57294845581055,0.894427180290222,3.68120312690735,0.0,-0.125174596905708,15.9971113204956,0.687874615192413,1.85278844833374,0.0,20.6647415161133,2.48398947715759,-0.022059790790081,0.167705103754997,0.0430801846086979,18.3323707580566,1187.02001953125,1.93499660491943,0.0,12.3323707580566,0.910683631896973,0.0,1.09885156154633,0.0414571054279804,0.0,4.67999982833862,0.0833333358168602,0.0,2.75,0.262891709804535
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,5.67183017730713,0.0,8.69190216064453,2.46805334091187,1.53261888027191,0.0,301.0,12.3619976043701,3.2610764503479,20.2299995422363,0.276212781667709,59.3382377624512,0.788515388965607,4.27517080307007,0.0,4.25868463516235,0.0,-0.0928479954600334,31.0907783508301,0.744224905967712,5.03488159179688,,69.7966995239258,2.78280520439148,-0.105688974261284,0.0907718539237976,0.0800458118319511,64.6417007446289,520.059997558594,1.83735752105713,,60.6526908874512,2.65470051765442,,1.0295535326004,0.043412908911705,0.0,6.01171875,1.51036298274994,,3.27662110328674,0.25
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%29,3.29952478408813,0.355689316987991,9.83304405212402,0.73442941904068,7.11775493621826,0.381571412086487,676.0,15.6165952682495,1.17988204956055,163.119995117188,0.998324871063232,43.2145195007324,0.0166666675359011,1.52087438106537,3.81638789176941,4.42312240600586,1.68707680702209,-0.830695509910583,39.6578788757324,0.892404973506927,1.69609034061432,1.0,54.570484161377,2.99299693107605,0.51707923412323,0.0902630686759949,-0.346795171499252,54.6859321594238,1986.10998535156,2.0487334728241,0.0,55.7047996520996,1.81173121929169,0.0,1.23961889743805,0.371152877807617,0.0,15.0089235305786,0.0833333358168602,3.0,10.2083330154419,0.216506347060204
InChI%3D1S%2FC10H9Cl4NO2S%2Fc11-9%2812%2910%2813%2C14%2918-15-7%2816%295-3-1-2-4-6%285%298%2815%2917%2Fh1-2%2C5-6%2C9H%2C3-4H2,5.07260036468506,0.0,3.96540641784668,2.80946946144104,4.4615421295166,0.25,235.0,6.99928522109985,5.94472932815552,385.959991455078,0.508817732334137,56.8876953125,1.65731203556061,5.07513189315796,0.0,6.16645097732544,0.0,-0.194331899285316,31.5867538452148,0.663194715976715,5.51774215698242,1.0,73.2724914550781,3.44831490516663,-0.0395347066223621,0.278502225875854,-0.0138863427564502,90.4400482177734,478.079986572266,2.69017839431763,0.0,42.1304550170898,2.13230037689209,2.0,1.70590054988861,0.00565024605020881,0.0641500279307365,5.17479181289673,1.06674861907959,0.0,2.65927982330322,0.615596115589142
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%29,1.09341299533844,0.0,0.16666667163372,0.275466829538345,1.5,0.0,151.0,1.88988161087036,0.36317178606987,,0.364419013261795,22.5126934051514,0.0,0.55086213350296,1.42275726795197,1.61436033248901,0.0,-0.3445865213871,16.6135902404785,0.95812863111496,0.543477118015289,0.0,23.7368316650391,1.15374362468719,0.368721663951874,0.0365953594446182,-0.405190736055374,20.7315120697021,573.059997558594,0.649015843868256,0.0,23.0715236663818,0.696923434734344,0.0,0.399184584617615,0.302039384841919,0.0,5.671875,0.0,0.0,3.70370364189148,0.164266422390938
InChI%3D1S%2FC8H6Cl2O3%2Fc9-5-1-2-7%286%2810%293-5%2913-4-8%2811%2912%2Fh1-3H%2C4H2%2C%28H%2C11%2C12%29,1.64910209178925,0.0,2.33481526374817,0.476120948791504,2.18224716186523,0.5,155.0,7.61591911315918,0.649613857269287,46.5299987792969,0.430065751075745,30.7489147186279,0.0385758392512798,0.807590544223785,0.0,1.77554035186768,0.666666686534882,-0.167006641626358,18.2318420410156,0.864816009998322,0.802930772304535,0.0,27.2418785095215,1.1948025226593,-0.18852624297142,0.0643754005432129,0.202839002013206,27.9520568847656,205.050003051758,0.64647251367569,0.0,25.5642414093018,1.09929239749908,1.0,0.354987353086472,-0.0449024625122547,0.0,5.02422142028809,0.117851130664349,1.0,3.70370364189148,0.184195280075073
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%2C1H3,5.66123580932617,0.0,3.81499123573303,1.40758347511292,8.50727558135986,0.814325273036957,404.0,14.5546579360962,2.23980665206909,,0.678459644317627,38.0917510986328,0.303021281957626,2.90940475463867,1.69891178607941,4.6666431427002,0.516459047794342,-0.226721212267876,37.5815582275391,0.671696066856384,3.58173418045044,0.0,51.6867256164551,3.34725308418274,-0.0147260650992393,0.322794586420059,-0.0769924074411392,51.4854469299316,1212.08996582031,2.25339484214783,0.0,57.2038764953613,3.76160454750061,3.0,1.35009622573853,0.0597031563520432,0.117851130664349,6.62224864959717,1.11541044712067,0.0,4.06559991836548,0.719620048999786
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%2C1H3,3.14252614974976,0.0,5.49318552017212,0.666405558586121,7.14635419845581,1.44224953651428,490.0,15.3983068466187,1.1301417350769,71.5199966430664,0.557290196418762,45.8987693786621,0.0642559081315994,1.66108536720276,1.61451458930969,3.21914744377136,0.0,-0.233581453561783,36.3236694335938,0.727997362613678,1.78663325309753,0.0,58.5253219604492,2.32110929489136,0.0411930680274963,0.0665826052427292,-0.0091674504801631,63.7974739074707,925.119995117188,1.30274033546448,0.0,70.0388031005859,1.75390350818634,4.0,0.725354433059692,0.101698078215122,0.0,9.87128162384033,0.164266422390938,0.0,5.79561042785645,0.175366476178169
InChI%3D1S%2FC10H12O%2Fc1-3-4-9-5-7-10%2811-2%298-6-9%2Fh3-8H%2C1-2H3,0.925812005996704,0.0,6.67872285842896,0.164266422390938,0.333333343267441,0.0,125.0,7.00378656387329,0.313275456428528,9.22999954223633,0.151841133832932,11.7744693756104,0.0,0.347867757081985,1.09204828739166,1.47491872310638,0.0,-0.0862094461917877,11.6641836166382,0.853033244609833,0.290380626916885,0.0,13.6641836166382,0.907471597194672,0.00200196006335318,0.027377737686038,0.0071904007345438,12.6641836166382,419.010009765625,0.535497665405273,0.0,8.33209228515625,0.40824830532074,0.0,0.243633925914764,-0.000763180374633521,0.0,4.79289960861206,0.0,0.0,2.84444451332092,0.117851130664349
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%2C1-4H3,2.93108129501343,0.200000002980232,16.3074645996094,0.635919213294983,5.00828838348389,0.200000002980232,690.0,19.6782150268555,1.36898148059845,52.5999984741211,0.544975399971008,31.0978755950928,0.0448895953595638,1.51242673397064,3.53208184242249,5.35370397567749,1.26491105556488,-0.3643958568573,29.9925518035889,0.803496181964874,1.42923772335052,0.0,37.5414886474609,3.17791032791138,0.196051120758057,0.0277777779847383,-0.035453774034977,42.6492881774902,3600.0400390625,2.07339024543762,0.0,43.9776573181152,1.15181839466095,2.0,1.06930863857269,-0.322182655334473,0.0,15.7889270782471,0.248005643486977,0.0,10.053539276123,0.096225045621395
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%2C1H3,4.20538949966431,0.0,5.82961845397949,1.16459262371063,6.45510816574097,0.0,355.0,14.4412622451782,2.60053944587708,,0.698850095272064,79.9714202880859,0.332788020372391,4.22801399230957,0.993219435214996,5.16219615936279,0.0,-0.356642156839371,34.6786918640137,0.778036177158356,5.40672016143799,0.0,58.1767959594727,3.99592351913452,0.0519969090819359,0.4352146089077,0.0612847097218037,71.5603637695312,1015.08001708984,2.63785648345947,0.0,98.3399963378906,2.49331903457642,0.0,1.59174394607544,-0.257325053215027,0.0641500279307365,7.92000007629395,0.608359217643738,0.0,4.15879011154175,0.665651738643646
InChI%3D1S%2FC2H3Cl3O2%2Fc3-2%284%2C5%291%286%297%2Fh1%2C6-7H,2.5980761051178,0.0,0.0,1.90012776851654,0.0,0.5,29.0,0.0,1.19230616092682,40.4599990844727,0.341715097427368,31.687198638916,0.222692251205444,0.376418590545654,0.0,0.878310084342957,0.0,-0.120417557656765,12.5193958282471,0.679505407810211,0.0,0.0,39.4321250915527,0.0,-0.170003339648247,0.0,0.119563356041908,23.5919132232666,39.0499992370605,0.0,0.0,0.0,1.65470051765442,0.0,0.0,0.0,0.0,1.85185182094574,0.866025388240814,2.0,2.66666674613953,0.0
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%29,3.77863430976868,0.100000001490116,5.75777912139893,0.78316992521286,4.09288930892944,0.94494080543518,571.0,7.11354064941406,1.30600559711456,,0.883558392524719,45.5127906799316,0.0960598140954971,1.75068759918213,2.71335864067078,4.01658630371094,1.04004192352295,-0.67130446434021,41.0039138793945,0.809091866016388,1.84213149547577,0.0,52.375301361084,2.71217250823975,0.523445844650269,0.07408207654953,-0.682976067066193,57.1450538635254,1559.11999511719,1.7058641910553,0.0,58.1687660217285,2.3205931186676,2.0,0.910924196243286,0.774102389812469,0.0,10.518627166748,0.343443363904953,1.0,6.84297513961792,0.264858663082123
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%2C11-15H2,2.80429005622864,0.0,21.8486289978027,0.546148478984833,1.28489828109741,0.0,638.0,13.3651676177979,1.15266513824463,,0.433755367994308,27.3564777374268,0.0529237762093544,1.40609633922577,0.0,4.38994264602661,0.0,-0.216624513268471,28.2433586120605,0.754121899604797,1.45897471904755,0.0,37.5172233581543,2.9847207069397,-0.0241902191191912,0.0958543494343758,0.0597036592662334,36.5169448852539,1752.05004882812,2.08001637458801,0.0,28.5751724243164,1.22850155830383,1.0,1.14152884483337,-0.114233329892159,0.0,9.62975788116455,0.201184466481209,0.0,5.7619047164917,0.297409504652023
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%2C1-2H3,2.77902126312256,1.5,4.34811925888062,1.09271574020386,0.333333343267441,0.5,274.0,5.46568870544434,1.58301293849945,103.730003356934,0.454891264438629,34.0105018615723,0.0124225998297334,2.44412589073181,0.63245552778244,4.27851963043213,0.825481832027435,-0.347947120666504,33.4600944519043,0.808262467384338,1.97632420063019,0.0,41.8285140991211,3.24698185920715,0.308358460664749,0.0237628296017647,-0.193633466959,39.6421890258789,718.080017089844,1.36853063106537,1.0,37.3202018737793,1.63090085983276,2.0,0.787162601947784,-0.044901080429554,0.0,7.55555534362793,0.16666667163372,0.0,5.26748991012573,0.107038088142872
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%2C1-3H3,8.00644397735596,0.0,0.200000002980232,1.83852887153625,13.4611682891846,0.0,566.0,6.09323167800903,2.95671677589417,26.2999992370605,0.867011725902557,46.7760009765625,0.362099081277847,2.85223865509033,6.60259008407593,4.86746454238892,0.5,-0.373398035764694,35.0205078125,0.902719557285309,3.14197707176208,0.0,58.5799865722656,2.70314836502075,0.00934505928307772,0.567346453666687,-0.103439927101135,72.014289855957,1062.09997558594,1.76588320732117,0.0,56.5101928710938,4.02894496917725,1.0,0.955172955989838,0.0371392406523228,0.496193736791611,8.02469158172607,1.49606931209564,0.0,4.6094183921814,1.37877488136292
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%29,4.05813121795654,0.0,3.41702961921692,0.780680179595947,11.302638053894,0.94494080543518,240.0,15.299859046936,1.73547291755676,,0.480063945055008,23.1854400634766,0.18280827999115,2.52521157264709,2.21649074554443,4.06366586685181,0.0,-0.136390775442123,23.0766162872314,0.64676296710968,3.61139154434204,0.0,36.0973320007324,3.04266119003296,-0.0201221220195293,0.190698266029358,-0.324326545000076,40.6512336730957,883.049987792969,2.40812182426453,0.0,39.4492454528809,1.73618686199188,2.0,1.54974961280823,0.262444376945496,0.0,5.080078125,0.53572005033493,1.0,2.27555561065674,0.481190651655197
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%29,5.18725872039795,0.0,2.38110160827637,1.04977834224701,5.9572377204895,0.650697648525238,251.0,5.42803478240967,2.35481786727905,,0.539413750171661,22.4033718109131,0.465007752180099,2.13377785682678,5.03355169296265,3.45281791687012,0.0,-0.28415858745575,21.99338722229,0.923852026462555,1.98741912841797,0.0,34.1798667907715,1.81507468223572,0.011766810901463,0.128915131092072,0.0456334538757801,36.9275665283203,883.059997558594,1.07149112224579,0.0,32.0934295654297,1.95773088932037,2.0,0.590678095817566,-0.185609415173531,0.0833333358168602,5.78000020980835,1.09384369850159,1.0,2.88000011444092,0.557809770107269
InChI%3D1S%2FC9H7N3S%2Fc1-6-3-2-4-7-8%286%2912-5-10-11-9%2812%2913-7%2Fh2-5H%2C1H3,2.20885157585144,0.0,2.57512259483337,0.564040184020996,3.53277564048767,0.0,134.0,6.87156677246094,1.27638912200928,,0.145797193050385,20.2077178955078,0.123296104371548,2.11804819107056,1.80720400810242,3.16962599754333,0.0,-0.120427832007408,19.5304851531982,0.883088409900665,2.40331554412842,0.0,30.9512157440186,2.59290361404419,0.0696611776947975,0.33001434803009,-0.0235239528119564,27.1199321746826,420.040008544922,1.63940167427063,0.0,18.1704959869385,0.816229462623596,0.0,0.989389538764954,0.00887194089591503,0.196418553590775,3.0,0.247525274753571,0.0,1.171875,0.739593327045441
InChI%3D1S%2FC2H7O3P%2Fc1-4-6%283%295-2%2Fh6H%2C1-2H3,0.577350258827209,0.5,0.0,0.102062076330185,0.0,0.0,29.0,0.0,0.20412415266037,59.0,0.465965896844864,13.9738206863403,0.0,0.102062076330185,0.0,1.0,1.0,-0.445845037698746,12.9699382781982,0.649633347988129,0.0,0.0,10.481086730957,0.25,0.371464520692825,0.0,-0.193221598863602,5.32836771011353,114.040000915527,0.0,0.0,1.0,0.288675129413605,1.0,0.0,0.0346191860735416,0.0,3.20000004768372,0.0,0.0,3.0,0.0
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%2C1H3,4.3791937828064,0.0,9.9319200515747,0.816502928733826,2.78208088874817,0.333333343267441,320.0,15.5791988372803,1.5047060251236,46.5299987792969,0.428665369749069,38.7489128112793,0.145252838730812,1.81020605564117,0.91774445772171,3.59878826141357,0.81649661064148,-0.195726826786995,27.2318420410156,0.765391290187836,2.07993912696838,0.0,41.5739707946777,2.27206492424011,-0.0870365798473358,0.0907718539237976,0.123690098524094,47.3447151184082,876.049987792969,1.59427058696747,0.0,41.5527610778809,1.66637456417084,1.0,0.945567429065704,0.0194542463868856,0.0,7.51300716400146,0.733301997184753,1.0,3.85484838485718,0.25
InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H,1.44017744064331,0.0,12.4071960449219,0.220051839947701,2.38110160827637,0.0,151.0,11.3998241424561,0.491756230592728,20.2299995422363,0.0548681356012821,13.7744693756104,0.0426901616156101,0.650328814983368,0.0,1.9888436794281,0.0,-0.0177934914827347,14.3320922851562,0.730737566947937,0.685604989528656,,18.6641845703125,1.3354606628418,-0.00858548190444708,0.0423489958047867,-0.00100874260533601,17.9962768554688,420.010009765625,0.861140131950378,,13.9962759017944,0.538451671600342,,0.345625728368759,-4.63296273665037e-05,0.0,4.48148155212402,0.164266422390938,,2.26843094825745,0.190371423959732
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%29,2.48169636726379,0.0,0.5,0.522541344165802,4.38093566894531,0.0,168.0,5.60977554321289,1.13498711585999,41.8199996948242,0.2834792137146,15.9089260101318,0.144337564706802,1.19711399078369,6.93853282928467,2.30096840858459,0.5,-0.261209905147552,15.3286466598511,0.905209958553314,1.24140799045563,0.0,21.5455856323242,1.20593225955963,0.193345576524734,0.0710051730275154,-0.0716546773910522,20.8266448974609,659.030029296875,0.64602142572403,0.0,15.9928302764893,1.156653881073,0.0,0.362743228673935,-0.0173166077584028,0.0,5.18559551239014,0.272165536880493,1.0,3.27272725105286,0.205950379371643
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%29,3.52830648422241,0.0,0.0,1.66592991352081,1.19055080413818,0.0,182.0,0.0,2.49291849136353,,0.280997186899185,23.3421745300293,0.494389832019806,2.29290461540222,4.44104909896851,3.26831603050232,0.0,-0.249642416834831,20.1949462890625,0.800530791282654,2.24835228919983,0.0,32.3356399536133,1.75066792964935,0.231188908219337,0.146628126502037,-0.175473555922508,31.3670425415039,814.059997558594,1.0059118270874,0.0,23.5804290771484,2.10518193244934,0.0,0.732898950576782,0.048837698996067,0.117851130664349,4.88842964172363,0.665320515632629,1.0,3.22560000419617,0.31812247633934
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%29,2.28725790977478,0.0,0.5,0.550634443759918,4.38093566894531,0.0,197.0,5.60977554321289,1.44158387184143,67.120002746582,0.299844205379486,23.036678314209,0.176776692271233,2.15218544006348,6.31559371948242,3.09059166908264,0.5,-0.271539956331253,19.6682167053223,0.813110589981079,1.83192503452301,1.0,25.8851547241211,2.20429730415344,0.20555567741394,0.0756873562932014,-0.0877036303281784,29.505786895752,690.039978027344,0.854770064353943,0.0,21.6626148223877,1.10028660297394,0.0,0.55296003818512,-0.0316442996263504,0.0,5.91499996185303,0.19245009124279,1.0,3.5,0.189678534865379
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%29,5.39512586593628,0.0,3.43386721611023,1.98922491073608,7.90559387207031,0.200000002980232,520.0,12.9147500991821,2.16961765289307,62.1300010681152,0.423524558544159,30.0433826446533,0.255401641130447,2.81161236763,11.8224210739136,4.23605346679688,0.31622776389122,-0.223879605531693,30.1869125366211,0.759441494941711,2.9533519744873,0.0,44.7647819519043,2.94691467285156,-0.0263460818678141,0.106045968830585,0.110904671251774,49.259334564209,2434.05004882812,1.63872146606445,0.0,49.8128623962402,3.15124535560608,1.0,0.856932818889618,-0.155965179204941,0.0,9.66686534881592,0.788837313652039,1.0,5.9903998374939,0.330804079771042
InChI%3D1S%2FC6H8N2O%2Fc7-4-1-2-6%289%295%288%293-4%2Fh1-3%2C9H%2C7-8H2,1.47827804088593,0.0,1.65096366405487,0.244108095765114,1.65096366405487,0.0,67.0,5.85380077362061,0.342518478631973,72.2699966430664,0.09298737347126,10.4944448471069,0.0215165745466948,0.306271016597748,0.0,1.05158722400665,0.0,-0.0189520716667175,9.66446208953857,0.612350344657898,0.298112750053406,0.0,13.3289251327515,0.572996973991394,-0.0267242919653654,0.0385360643267632,-0.000209629492019303,11.8823909759521,217.029998779297,0.32458508014679,0.0,5.02445030212402,0.760079681873322,0.0,0.0909610167145729,-0.0197017807513475,0.0,2.72222232818604,0.16666667163372,1.0,1.70414197444916,0.20412415266037
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%2C1-3H3,3.81979632377625,0.0,4.35397911071777,1.70994091033936,2.10257887840271,0.0,305.0,8.45763683319092,1.63339912891388,,0.467361837625504,30.3416557312012,0.206168875098228,1.64580571651459,3.04879641532898,3.24919033050537,0.333333343267441,-0.246836364269257,25.1389274597168,0.804473996162415,1.83555817604065,0.0,37.5021171569824,1.95267963409424,-0.0536391399800777,0.072150856256485,0.114303968846798,35.7742614746094,1301.06005859375,1.24813079833984,0.0,32.7127952575684,2.32824087142944,1.0,0.681388914585114,-0.071491114795208,0.144337564706802,6.84000015258789,0.636082768440247,0.0,4.4963264465332,0.249296993017197
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%2C5-6H2,4.40923833847046,0.0,5.15518665313721,0.779419720172882,4.11402320861816,0.0,276.0,11.1995935440063,1.81168293952942,,0.554324805736542,40.0660972595215,0.209694892168045,2.30941414833069,0.0,3.95567321777344,0.0,-0.29144275188446,26.4794769287109,0.760765790939331,2.41049361228943,0.0,43.6569976806641,2.63085842132568,0.0519745349884033,0.240140870213509,-0.0421551801264286,48.1667518615723,558.070007324219,1.58332753181458,0.0,43.877857208252,2.36467933654785,1.0,0.923632979393005,-0.0978613793849945,0.078567422926426,5.78000020980835,0.786957681179047,0.0,3.19113564491272,0.521960139274597
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%29,2.86154723167419,0.0,3.30192732810974,0.576769828796387,0.793700516223907,0.94494080543518,198.0,5.78095483779907,0.914551973342896,110.360000610352,0.446834176778793,24.9456043243408,0.0768570229411125,0.938388526439667,0.696238338947296,2.2693989276886,0.94494080543518,-0.346990346908569,25.2246952056885,0.601914286613464,0.918458342552185,0.0,30.9348983764648,1.31902575492859,0.282069772481918,0.0401238948106766,-0.266479015350342,31.6079387664795,415.070007324219,0.836329340934753,0.0,25.9285545349121,1.77216470241547,2.0,0.424434900283813,0.182552009820938,0.0,5.36507940292358,0.348461717367172,1.0,3.81096410751343,0.125
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%29,4.55821561813354,0.0,6.87475109100342,0.99232703447342,10.8713521957397,0.25,534.0,20.3441314697266,2.01674127578735,26.0200004577637,0.530870735645294,52.1271514892578,0.194404438138008,2.89702010154724,0.0,4.88291597366333,0.0,-0.231393575668335,35.8764953613281,0.822453916072845,3.62283039093018,0.0,55.3923835754395,3.45775604248047,0.0137826073914766,0.147059231996536,-0.0387717559933662,66.8488464355469,1031.08996582031,2.33010578155518,0.0,73.7549896240234,1.92723095417023,1.0,1.30397474765778,-0.0562202110886574,0.0,9.0,0.486467778682709,1.0,4.54321002960205,0.482073456048965
InChI%3D1S%2FC5H5N3O%2Fc6-5%289%294-3-7-1-2-8-4%2Fh1-3H%2C%28H2%2C6%2C9%29,1.04044008255005,0.0,1.65096366405487,0.120451420545578,1.0,0.0,69.0,2.62074136734009,0.184552550315857,,0.282010853290558,10.8544330596924,0.0144337564706802,0.146361693739891,0.0,0.805794417858124,0.0,-0.122748136520386,10.1630182266235,0.846967399120331,0.10611267387867,0.0,12.8826694488525,0.421376675367355,-0.139307796955109,0.00962250493466854,0.0910447984933853,10.9379043579102,124.040000915527,0.224254429340363,0.0,6.41173124313354,0.5,0.0,0.055412694811821,0.0637135580182076,0.0,3.23966932296753,0.16666667163372,1.0,2.0,0.0589255653321743
InChI%3D1S%2FC7H14NO5P%2Fc1-6%285-7%289%298-2%2913-14%2810%2C11-3%2912-4%2Fh5H%2C1-4H3%2C%28H%2C8%2C9%29,2.51063656806946,1.5,0.0,0.358251690864563,0.5,0.16666667163372,159.0,2.0,0.567122519016266,87.1600036621094,0.707244455814362,23.8827476501465,0.0,0.595967471599579,2.42946577072144,1.61650276184082,1.85314404964447,-0.682332277297974,24.4017448425293,0.928976655006409,0.453180849552155,0.0,28.0992603302002,0.77428275346756,0.625794887542725,0.0,-0.375981628894806,24.308967590332,547.070007324219,0.351152956485748,1.0,20.3976039886475,1.50412690639496,1.0,0.093300461769104,0.160854041576385,0.0,6.47750854492188,0.0,1.0,5.48096895217896,0.0
InChI%3D1S%2FC4H6O2%2Fc1-3%282%294%285%296%2Fh1H2%2C2H3%2C%28H%2C5%2C6%29,1.33333337306976,0.0,0.0,0.222420245409012,1.0,0.5,24.0,0.0,0.229144126176834,37.2999992370605,0.19309838116169,7.54893827438354,0.0322748608887196,0.0,2.82842707633972,0.36509120464325,0.0,-0.112960740923882,5.66418409347534,0.651228606700897,0.0,0.0,7.43865299224854,0.0,0.0317592620849609,0.0,-0.015347714535892,5.32836771011353,91.0199966430664,0.0,0.0,0.0,0.666666686534882,1.0,0.0,0.0,0.0,2.22222232818604,0.333333343267441,1.0,3.0,0.0
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%2C1H3,5.04940223693848,0.16666667163372,16.7580299377441,0.82171767950058,3.57736825942993,0.25,740.0,17.7196140289307,1.6135162115097,67.870002746582,0.590445935726166,31.8178520202637,0.164198160171509,2.05933499336243,1.67667174339294,4.48398685455322,0.934275984764099,-0.346078157424927,33.8510971069336,0.87953907251358,2.18212008476257,0.0,50.0887145996094,2.94642210006714,0.0550541058182716,0.142841443419456,-0.00748017523437738,52.2511749267578,1645.06005859375,1.88280165195465,0.0,44.5907783508301,1.98792779445648,2.0,0.90139901638031,0.042696014046669,0.0680413842201233,9.42768573760986,0.690704941749573,0.0,4.85492658615112,0.822353780269623
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%2C1-2H3,6.20348310470581,0.608220219612122,4.53731298446655,0.889720618724823,9.6194190979004,1.19526600837708,724.0,16.348331451416,1.52536106109619,95.9700012207031,1.03656268119812,49.0001564025879,0.135352298617363,1.61464357376099,3.19724225997925,4.08555507659912,2.51648926734924,-0.5497105717659,39.6269454956055,0.885556697845459,1.80683732032776,0.0,63.1279373168945,2.47410488128662,0.0704896375536919,0.0817336365580559,0.194837480783463,66.6871337890625,1279.11999511719,1.63108313083649,0.0,62.3091430664062,3.42946171760559,4.0,0.844091057777405,-0.683186411857605,0.0,11.9234399795532,1.0053938627243,0.0,7.77520656585693,0.276854544878006
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%2C1-4H3,3.07915759086609,1.31556057929993,0.685006737709045,2.54792833328247,1.65096366405487,0.200000002980232,251.0,3.79021191596985,4.71259880065918,138.259994506836,0.866661727428436,41.552734375,0.0416666679084301,5.73584890365601,2.60027813911438,7.77814102172852,1.92224907875061,-0.566419005393982,38.9669189453125,0.968198120594025,5.20302581787109,1.0,51.7453994750977,4.95241498947144,0.359758257865906,0.0,-0.214574784040451,46.610107421875,1027.08996582031,3.24008440971375,1.0,44.8924179077148,1.61782073974609,2.0,1.84157657623291,-0.477301210165024,0.0,9.83364868164062,0.117851130664349,0.0,7.37279987335205,0.0
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%2C1-2H3,7.37378025054932,0.851422488689423,7.47904920578003,1.20629966259003,8.31306457519531,0.474957138299942,942.0,19.9385013580322,2.29267644882202,61.2700004577637,1.50276494026184,54.7201347351074,0.179244458675385,3.31564044952393,2.99214935302734,5.64628505706787,2.31107211112976,-1.14837682247162,47.707202911377,0.79867160320282,3.93529915809631,0.0,78.8950500488281,4.06683444976807,0.592566967010498,0.289937257766724,-0.322976619005203,81.6365661621094,1876.14001464844,2.83736801147461,0.0,87.1247100830078,4.07515811920166,3.0,1.75611245632172,0.309784680604935,0.0680413842201233,11.6230964660645,0.834531307220459,0.0,6.11248207092285,0.912098109722137
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%29,5.23882532119751,0.090909093618393,3.96540641784668,0.876264572143555,5.50270652770996,1.42381393909454,559.0,6.484206199646,1.61584210395813,149.059997558594,0.9834765791893,39.5745086669922,0.159439206123352,2.03703379631042,5.78296089172363,4.00885057449341,1.35477125644684,-0.835586965084076,40.5504531860352,0.848129153251648,2.33739638328552,0.0,53.8659400939941,2.58945727348328,0.859729170799255,0.0587199702858925,-0.780903875827789,61.153377532959,1323.11999511719,1.67014670372009,0.0,66.054069519043,2.62773132324219,3.0,0.798663198947906,0.325235694646835,0.0,10.15625,0.661163151264191,1.0,5.9903998374939,0.245216801762581
InChI%3D1S%2FC11H14ClNO%2Fc1-9%282%2913%2811%2814%298-12%2910-6-4-3-5-7-10%2Fh3-7%2C9H%2C8H2%2C1-2H3,1.88995587825775,0.0,6.40992593765259,0.461833924055099,1.5,0.0,149.0,6.68071794509888,0.842932224273682,20.3099994659424,0.251544624567032,22.8472099304199,0.104700192809105,1.24959719181061,2.88449907302856,2.16240191459656,0.0,-0.114660739898682,16.7823848724365,0.783652007579803,1.35759699344635,0.0,21.6682224273682,1.51186549663544,-0.0649284422397614,0.0143443830311298,0.0821291282773018,25.370813369751,602.030029296875,0.900659799575806,0.0,24.3980274200439,0.846813380718231,1.0,0.289362192153931,-0.018947271630168,0.0,5.77777767181396,0.245234087109566,0.0,3.27272725105286,0.0589255653321743
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%29,1.64910209178925,0.0,2.33481526374817,0.4567950963974,2.18224716186523,0.5,155.0,7.61591911315918,0.613013684749603,46.5299987792969,0.397545427083969,23.0361614227295,0.0340206921100616,0.746724545955658,1.70914804935455,1.7232232093811,0.666666686534882,-0.165969803929329,16.2801055908203,0.735369265079498,0.744565606117249,0.0,23.3384037017822,1.14091062545776,-0.149943381547928,0.0611544251441956,0.153265193104744,21.4486885070801,328.040008544922,0.62962019443512,0.0,15.8997507095337,1.09929239749908,1.0,0.338086396455765,-0.0542883723974228,0.0,5.02422142028809,0.117851130664349,1.0,3.70370364189148,0.184195280075073
InChI%3D1S%2FC6H9N3O3%2Fc1-5-7-4-6%289%2811%2912%298%285%292-3-10%2Fh4%2C10H%2C2-3H2%2C1H3,1.94407677650452,0.0,1.31037068367004,0.274059772491455,0.5,0.721124768257141,109.0,2.94168281555176,0.610594511032104,83.870002746582,0.329452127218246,15.4033708572388,0.0653902590274811,0.77232825756073,1.15470051765442,1.54469537734985,0.0,-0.152269244194031,14.4361352920532,0.923176229000092,0.638434052467346,0.0,19.4878330230713,0.978368282318115,-0.0802217423915863,0.0674257501959801,0.165720090270042,18.183126449585,493.059997558594,0.458048462867737,0.0,16.5980396270752,0.84120112657547,2.0,0.147138029336929,-0.0880926698446274,0.096225045621395,4.296875,0.287863373756409,1.0,2.25,0.322104275226593
InChI%3D1S%2FC12H11N%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10%2C13H,0.813052535057068,0.0,13.9952611923218,0.16666667163372,0.5,0.0,174.0,8.07939052581787,0.27578341960907,12.0299997329712,0.0349450334906578,13.3599882125854,0.0,0.359116762876511,0.0,1.83625328540802,0.0,-0.0157572962343693,14.3323707580566,0.814537286758423,0.364411175251007,,17.6647415161133,1.20963907241821,-0.00495727034285665,0.0320750139653683,0.00224458891898394,14.664740562439,469.010009765625,0.78468644618988,,10.3323707580566,0.40824830532074,,0.286372244358063,0.000875008758157492,0.0,5.02422142028809,0.0,,3.0,0.144337564706802
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%2C1-2H3,4.7294659614563,0.0,6.34884834289551,0.895032346248627,2.06597971916199,0.0,385.0,10.6419916152954,1.84633195400238,,0.653690218925476,28.7750473022461,0.329681694507599,2.38298010826111,2.95115184783936,3.36422657966614,0.16666667163372,-0.525439500808716,26.4063720703125,0.744497060775757,2.44432497024536,0.0,44.1802024841309,2.23994755744934,0.308598518371582,0.0348516218364239,-0.154609903693199,40.0668334960938,982.070007324219,1.30102252960205,0.0,41.258659362793,2.93835973739624,0.0,0.637437582015991,0.0988806784152985,0.0,7.2664361000061,0.859116733074188,1.0,4.5211181640625,0.151623263955116
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%2C1-2H3,6.19452524185181,0.608220219612122,4.66856145858765,0.889720618724823,9.3962516784668,1.19526600837708,762.0,16.4123420715332,1.51725947856903,95.9700012207031,1.03641247749329,49.0001564025879,0.135352298617363,1.67334222793579,3.16729068756104,4.06935214996338,2.51648926734924,-0.550332844257355,39.6269454956055,0.868807017803192,1.86251759529114,0.0,63.1279373168945,2.53913331031799,0.0694577023386955,0.0817336365580559,0.209552764892578,66.6871337890625,1279.11999511719,1.62229692935944,0.0,63.9287872314453,3.42946171760559,4.0,0.777594983577728,-0.626372039318085,0.0,11.9234399795532,1.0053938627243,0.0,7.77520656585693,0.276854544878006
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%29,2.72371745109558,0.0,6.41050004959106,0.503632485866547,3.83851957321167,0.16666667163372,250.0,12.629186630249,1.15082085132599,52.9000015258789,0.409995883703232,29.98166847229,0.088229551911354,1.68115019798279,3.88363003730774,3.31982350349426,0.0,-0.245332449674606,23.4468479156494,0.695785462856293,2.12728905677795,0.0,30.7475833892822,2.22554612159729,0.0765572935342789,0.0447789765894413,-0.0837278589606285,37.5338325500488,1301.05004882812,1.53277182579041,0.0,38.8378868103027,1.22447776794434,1.0,0.855477392673492,0.0726971924304962,0.0,9.1065092086792,0.252697080373764,1.0,5.05785131454468,0.135508760809898
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%2C1-6H3,3.62196135520935,0.0,8.41708183288574,2.23130679130554,2.26617860794067,0.0,437.0,12.8862371444702,2.30519413948059,,0.264223396778107,23.1344566345215,0.25,3.06555581092834,6.22988271713257,4.46923065185547,0.0,-0.130347147583961,24.1627388000488,0.641213655471802,2.87281560897827,0.0,34.8269233703613,3.48198366165161,-0.121629260480404,0.11590538173914,0.126548826694489,31.2182064056396,2674.02001953125,2.00089740753174,0.0,27.4982776641846,2.78463673591614,0.0,1.47243213653564,0.00228667072951794,0.0,7.71349859237671,0.433012694120407,0.0,5.86419773101807,0.284787505865097
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%29,2.39749026298523,0.0,0.142857149243355,1.04173386096954,1.5,0.0,214.0,1.63976919651031,0.906518399715424,84.2699966430664,0.453916877508163,25.8726825714111,0.0,1.14153695106506,2.13413596153259,2.19350671768188,0.0,-0.367327481508255,19.7797756195068,0.875072181224823,1.02706205844879,0.0,30.235387802124,1.47768831253052,0.345910608768463,0.0433563962578773,-0.34142929315567,26.4238719940186,849.070007324219,0.838843941688538,0.0,28.9024486541748,1.90403020381927,0.0,0.592630088329315,0.174907580018044,0.0,6.07438039779663,0.0,0.0,4.81663513183594,0.164266422390938
InChI%3D1S%2FC8H19O2PS3%2Fc1-4-9-11%2812%2C10-5-2%2914-8-7-13-6-3%2Fh4-8H2%2C1-3H3,1.43566012382507,0.5,2.70865225791931,2.19089031219482,0.0,0.0,180.0,0.0,3.29203581809998,110.959999084473,0.323851048946381,39.5826110839844,0.0,4.97582483291626,0.0,7.97686815261841,0.0,-0.247291162610054,35.3139381408691,0.787085592746735,4.23374700546265,2.0,42.5378799438477,6.64284229278564,0.179173097014427,0.0,-0.112907931208611,35.5415649414062,842.059997558594,4.66457080841064,1.0,32.2320251464844,0.926776707172394,0.0,3.33097386360168,-0.0558276250958443,0.0,8.31999969482422,0.0,0.0,7.03999996185303,0.0
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%29,4.82877683639526,0.0,6.37440586090088,1.94124782085419,5.44454526901245,0.200000002980232,538.0,15.0729455947876,2.01114583015442,49.4099998474121,0.322954326868057,28.268913269043,0.211340844631195,2.46924066543579,8.51844596862793,4.18027067184448,0.0,-0.165367648005486,28.5227279663086,0.758459031581879,2.59573793411255,0.0,42.1005973815918,2.80828523635864,-0.0327445641160011,0.0936713963747025,0.110887348651886,44.2630577087402,2375.0400390625,1.67344260215759,0.0,43.6504020690918,3.02683663368225,2.0,0.956637501716614,-0.0961226150393486,0.0,9.46745586395264,0.635670959949493,0.0,6.26086950302124,0.282404571771622
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%29,2.29958534240723,0.16666667163372,7.10457706451416,0.465428918600082,3.73671245574951,0.125,458.0,13.166036605835,0.624083042144775,83.6399993896484,0.545628249645233,25.8178520202637,0.0,0.76693993806839,2.26892328262329,2.66047382354736,1.07456994056702,-0.497649103403091,25.6572933197021,0.70957213640213,0.719523727893829,0.0,35.0917282104492,1.70881175994873,0.366854697465897,0.0639632046222687,-0.153221637010574,31.6538467407227,1059.06005859375,1.01166152954102,0.0,31.0374031066895,1.47839784622192,0.0,0.466844409704208,0.0559629127383232,0.0,9.33333301544189,0.0,2.0,6.57439422607422,0.260110020637512
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%2C1H3,2.53502583503723,0.25,15.9496774673462,0.434377789497375,4.32963848114014,1.18558597564697,669.0,9.08999061584473,0.792209148406982,,0.743053436279297,28.6468143463135,0.0723477751016617,0.89466255903244,0.3462053835392,4.4690318107605,2.21305155754089,-0.245461076498032,26.6567363739014,0.679792821407318,0.784355700016022,0.0,33.7595710754395,2.88983988761902,-0.271552234888077,0.0768247172236443,0.193350970745087,34.8611717224121,2812.06005859375,1.71282732486725,0.0,28.5377655029297,1.08861255645752,1.0,0.997945070266724,-0.0558077432215214,0.096225045621395,13.2366228103638,0.310875236988068,3.0,9.33333301544189,0.302175432443619
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%2C1-5H3,3.41257619857788,1.5,0.814325273036957,1.25119972229004,1.5,0.0,263.0,3.68766331672668,2.28161263465881,,0.630293905735016,34.1815376281738,0.0223606806248426,2.32910418510437,3.75565123558044,4.94086647033691,0.0,-0.594588577747345,34.3502769470215,0.808659493923187,1.64248430728912,0.0,43.5255737304688,2.33266687393188,0.608582198619843,0.0267812851816416,-0.537240862846375,40.5818176269531,1179.07995605469,1.20343482494354,1.0,37.3143653869629,1.75290930271149,0.0,0.83614456653595,0.347196072340012,0.0,7.69526624679565,0.0833333358168602,0.0,4.79500532150269,0.155437618494034
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%2C1-3H3,2.97524309158325,0.57235711812973,10.1172294616699,0.475062340497971,5.47991371154785,0.0,411.0,15.3845834732056,1.01732325553894,57.1199989318848,0.578891754150391,26.4578647613525,0.0889378562569618,1.24769401550293,4.02949333190918,3.31057119369507,0.825481832027435,-0.294385731220245,26.7122039794922,0.869755446910858,1.31916546821594,0.0,34.2655754089355,2.13542151451111,-0.0486200042068958,0.072648748755455,0.0168191213160753,38.7602233886719,1343.05004882812,1.35917091369629,0.0,37.5345993041992,1.07690334320068,1.0,0.665517926216125,0.157876223325729,0.0,10.0957336425781,0.337673097848892,0.0,5.5,0.249296993017197
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%2C1-4H3,2.90192127227783,1.85314404964447,0.766309440135956,1.08899080753326,1.5,0.0,246.0,4.24583578109741,1.9523332118988,,0.703675091266632,33.596019744873,0.0,1.91710007190704,2.74012207984924,4.40957260131836,0.0,-0.591143727302551,33.5159034729004,0.801019847393036,1.33725345134735,0.0,41.8570594787598,1.98976969718933,0.528901278972626,0.0219913199543953,-0.573728740215302,37.747444152832,919.080017089844,1.13548028469086,1.0,34.4238166809082,1.5391491651535,0.0,0.719065248966217,0.481390625238419,0.0,7.55555534362793,0.0,0.0,4.89795923233032,0.144337564706802
InChI%3D1S%2FC9H20N2O2%2Fc1-4-8-13-9%2812%2910-6-5-7-11%282%293%2Fh4-8H2%2C1-3H3%2C%28H%2C10%2C12%29,0.696923434734344,0.0,3.38654565811157,0.357052594423294,0.0,0.0,182.0,1.85053586959839,0.281341820955276,45.060001373291,0.393509566783905,15.2689142227173,0.0,0.219351127743721,0.57235711812973,1.44579076766968,0.5,-0.335675239562988,13.8272018432617,0.763907432556152,0.134424358606339,0.0,15.5458631515503,0.800631642341614,0.228386446833611,0.0,-0.133871123194695,12.8269233703613,868.039978027344,0.400243699550629,0.0,11.5224494934082,0.696923434734344,0.0,0.178874224424362,0.0970382541418076,0.0,8.59171581268311,0.0,1.0,9.91735553741455,0.0
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%2C3-6H2,1.93999695777893,0.0,6.00548505783081,0.242897748947144,1.65096366405487,0.890898704528809,233.0,8.56995296478271,0.482632219791412,95.8600006103516,0.452524721622467,21.592321395874,0.0294329449534416,0.582626938819885,0.0,1.95212042331696,0.868474066257477,-0.139201119542122,19.9338550567627,0.751343667507172,0.633457720279694,0.0,24.9300384521484,1.23621702194214,-0.201133251190186,0.0326073467731476,0.185668662190437,26.5386943817139,689.070007324219,0.820564091205597,0.0,23.7087574005127,0.833333313465118,2.0,0.435204148292542,-0.107257477939129,0.0,8.16326522827148,0.25,2.0,5.01760005950928,0.135508760809898
InChI%3D1S%2FC7H5NS2%2Fc9-7-8-5-3-1-2-4-6%285%2910-7%2Fh1-4H%2C%28H%2C8%2C9%29,1.23289024829865,0.0,3.96540641784668,0.723287105560303,1.88988161087036,0.0,87.0,5.24148273468018,1.08230459690094,79.9300003051758,0.0788777470588684,22.6154937744141,0.0510310381650925,1.64560723304749,0.0,2.80100440979004,0.0,-0.0670983344316483,16.3417263031006,0.843248665332794,1.70644152164459,1.0,29.0266227722168,2.28867197036743,0.0322421565651894,0.27322855591774,-0.00359984207898378,18.011510848999,234.029998779297,1.49891066551208,0.0,11.1755409240723,0.622008442878723,0.0,0.654291927814484,-0.000906560278963298,0.096225045621395,2.55999994277954,0.0833333358168602,0.0,1.24099719524384,0.398271471261978
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%2C1-2H2,8.81329822540283,0.5,0.333333343267441,2.58697009086609,3.30192732810974,0.0,233.0,3.61440801620483,9.08245372772217,52.5999984741211,0.576154470443726,73.7276840209961,2.7034707069397,15.621696472168,0.0,8.65906715393066,1.0,-0.269755870103836,41.0438079833984,0.601404964923859,24.7674980163574,0.0,78.3642349243164,6.34332323074341,0.220078513026237,2.00970911979675,-0.249364987015724,150.923797607422,387.100006103516,4.55907297134399,0.0,116.366928100586,2.68506097793579,1.0,3.02201986312866,-0.13114607334137,0.0833333358168602,3.79985380172729,2.39035105705261,0.0,1.27999997138977,2.0660080909729
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%29,4.5581202507019,0.333333343267441,4.62235593795776,1.03127980232239,6.65250492095947,1.42381393909454,642.0,12.0524072647095,1.5876008272171,144.960006713867,0.937405407428741,40.2145195007324,0.120112083852291,2.12308406829834,3.20187377929688,4.45881652832031,1.40261256694794,-0.605405449867249,42.0518951416016,0.777336597442627,2.16368913650513,0.0,54.3676795959473,2.91389632225037,0.329416751861572,0.09514681994915,-0.195908635854721,56.9344596862793,1548.10998535156,1.62744808197021,0.0,64.0801010131836,2.81438660621643,3.0,0.92382663488388,-0.171052351593971,0.144337564706802,9.87128162384033,0.428855359554291,1.0,6.25,0.405420333147049
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%2C1-4H3,3.9933443069458,1.47470700740814,1.69931519031525,1.51140880584717,4.08755731582642,0.0,479.0,6.61022710800171,2.61995220184326,,0.847825825214386,40.7304763793945,0.110842280089855,4.07311487197876,3.81720590591431,6.5478982925415,0.689297556877136,-0.593276083469391,41.3741683959961,0.80502849817276,4.07837963104248,0.0,54.9052658081055,5.16771030426025,0.409922629594803,0.192579939961433,-0.496214866638184,53.6489486694336,2257.10009765625,2.78211879730225,1.0,55.4028015136719,2.07172155380249,1.0,1.99843728542328,0.368841022253036,0.096225045621395,9.08734703063965,0.27578341960907,0.0,5.25,0.4231236577034
InChI%3D1S%2FC7H14N2O2S%2Fc1-7%282%2C12-4%295-9-11-6%2810%298-3%2Fh5H%2C1-4H3%2C%28H%2C8%2C10%29,1.94990611076355,0.0,0.0,1.64897918701172,0.0,0.0,135.0,0.333333343267441,1.82388865947723,79.4800033569336,0.290997445583344,20.3966674804688,0.0,1.03849744796753,0.961124539375305,2.37295699119568,0.5,-0.213393092155457,16.0557765960693,0.87090128660202,0.300362586975098,1.0,21.5552196502686,0.442390441894531,0.0626395270228386,0.0,0.0446662381291389,16.3555641174316,493.049987792969,0.196669667959213,0.0,12.0512313842773,1.49578189849854,0.0,0.120067939162254,-0.0251282285898924,0.0,5.61224508285522,0.0,1.0,6.25,0.0
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%2C1-4H3,0.81649661064148,0.0,0.0,0.115470051765442,2.38110160827637,0.25,222.0,1.70914804935455,0.118306443095207,,0.409628808498383,26.1166439056396,0.0,0.088967464864254,4.05589056015015,0.6363884806633,0.0,-0.317817628383636,23.6932239532471,0.968308925628662,0.0860826075077057,0.0,39.5535697937012,0.31819424033165,0.284503877162933,0.01490711979568,-0.255518347024918,37.7505989074707,953.070007324219,0.185819894075394,0.0,34.6328277587891,0.577350258827209,1.0,0.0298142395913601,0.0617328770458698,0.0,4.59183692932129,0.0,1.0,2.55999994277954,0.16666667163372
InChI%3D1S%2FBrHO3%2Fc2-1%283%294%2Fh%28H%2C2%2C3%2C4%29%2Fp-1,0.0,0.0,0.0,0.0,0.0,1.5,9.0,0.0,0.0,57.2000007629395,0.193335801362991,49.5814971923828,0.0,0.0,0.0,0.0,0.0,-0.145001843571663,26.5859260559082,,0.0,0.0,5.32340717315674,0.0,0.0483339503407478,0.0,0.0,0.0,3.03999996185303,0.0,0.0,0.0,0.577350258827209,2.0,0.0,0.0,0.0,1.33333337306976,0.0,0.0,,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%2C1-5H3,4.61527395248413,0.0,0.814325273036957,1.80359256267548,4.64039134979248,1.44224953651428,279.0,6.73137187957764,2.04905915260315,80.3099975585938,0.174059242010117,25.1778411865234,0.303791433572769,2.01285099983215,6.42411088943481,3.35925102233887,0.0,-0.00600162800401449,23.878604888916,0.874878644943237,2.40606212615967,0.0,35.206787109375,1.82914900779724,-0.068744421005249,0.0394672341644764,-0.0349917598068714,37.5400085449219,1344.06994628906,1.37451136112213,0.0,40.3938865661621,2.87395310401917,4.0,0.86203408241272,0.0696978643536568,0.0,7.51300716400146,0.816289365291595,0.0,5.0,0.131211519241333
InChI%3D1S%2FC6H11N2O4PS3%2Fc1-10-5-7-8%286%289%2916-5%294-15-13%2814%2C11-2%2912-3%2Fh4H2%2C1-3H3,3.23994326591492,0.650697648525238,0.0,2.52608823776245,0.5,0.0,220.0,0.81649661064148,4.84628915786743,,0.716129004955292,43.8515243530273,0.0395284704864025,4.73431158065796,1.22054314613342,8.24663734436035,0.57235711812973,-0.558658480644226,40.168758392334,0.572973072528839,2.88943338394165,2.0,56.9230194091797,4.28214693069458,0.404795527458191,0.159559890627861,-0.377963572740555,42.0769119262695,601.099975585938,2.86309313774109,1.0,33.4333229064941,1.53326976299286,1.0,2.40738558769226,0.273106426000595,0.096225045621395,6.07438039779663,0.117851130664349,0.0,3.76923084259033,0.300349175930023
InChI%3D1S%2FC8H11NO2%2Fc1-10-6-3-4-7%289%298%285-6%2911-2%2Fh3-5H%2C9H2%2C1-2H3,1.51372230052948,0.25,1.65096366405487,0.210300281643867,1.65096366405487,0.0,101.0,5.85380077362061,0.428021252155304,44.4799995422363,0.322332561016083,12.9089260101318,0.0196418557316065,0.453245371580124,1.91031968593597,1.44064462184906,0.0,-0.169906988739967,12.494553565979,0.802670478820801,0.409003227949142,0.0,15.660737991333,0.8184415102005,-0.0237864553928375,0.0335307456552982,-0.00238554505631328,16.214204788208,374.029998779297,0.483134061098099,0.0,10.7710237503052,0.606493055820465,0.0,0.205387279391289,0.0848810449242592,0.0,4.13265323638916,0.117851130664349,0.0,2.21453285217285,0.164266422390938
InChI%3D1S%2FC3H8O3%2Fc4-1-3%286%292-5%2Fh3-6H%2C1-2H2,0.577350258827209,0.0,0.5,0.129099443554878,0.0,0.908560276031494,29.0,2.0,0.115470051765442,60.689998626709,0.285273432731628,8.32340717315674,0.0,0.0258198883384466,0.0,0.421498209238052,0.0,-0.0475455746054649,5.99627590179443,0.775057971477509,0.0,0.0,6.32836771011353,0.0577350258827209,-0.142636716365814,0.0,0.0,6.21312189102173,139.029998779297,0.0,0.0,1.77446901798248,0.288675129413605,0.0,0.0,0.0475455746054649,0.0,3.20000004768372,0.0,3.0,3.0,0.0
InChI%3D1S%2FC12H9Cl%2Fc13-12-8-4-7-11%289-12%2910-5-2-1-3-6-10%2Fh1-9H,1.29197371006012,0.0,12.5845041275024,0.355648905038834,1.65096366405487,0.0,153.0,11.6507186889648,0.582054376602173,0.0,0.0253396593034267,20.7127532958984,0.0277777779847383,0.747986555099487,0.0,2.166836977005,0.0,-0.00823045987635851,15.9517374038696,0.728773057460785,0.831622838973999,0.0,21.9034748077393,1.48893344402313,-0.00412112940102816,0.0614234358072281,-0.000300812884233892,19.9034748077393,373.010009765625,0.984832167625427,0.0,15.9034748077393,0.622008442878723,0.0,0.444089740514755,-1.72765703609912e-05,0.0,4.48148155212402,0.0833333358168602,0.0,2.47933888435364,0.190371423959732
InChI%3D1S%2FC5H10N2S2%2Fc1-6-3-7%282%295%288%299-4-6%2Fh3-4H2%2C1-2H3,1.47827804088593,0.0,0.5,0.717130899429321,0.0,0.0,67.0,1.0,1.64162218570709,,0.190474957227707,21.9754829406738,0.237170830368996,1.45725953578949,0.70710676908493,2.96736240386963,0.0,-0.196756392717361,15.0064668655396,0.646025955677032,2.01772618293762,1.0,24.8281326293945,1.64274454116821,0.204911604523659,0.197474494576454,-0.139732643961906,20.6834526062012,289.040008544922,1.30242133140564,0.0,6.11346435546875,0.760079681873322,0.0,0.48155152797699,0.0392120629549026,0.0,2.72222232818604,0.16666667163372,0.0,1.70414197444916,0.20412415266037
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%2C1-2H3,4.16750335693359,0.400594353675842,17.0665702819824,0.953950762748718,10.4581613540649,0.0,941.0,27.529483795166,1.62817847728729,68.5500030517578,0.85607236623764,39.4619522094727,0.144641861319542,2.15611481666565,4.67043685913086,4.87599515914917,0.650697648525238,-0.534995079040527,38.6543998718262,0.963615715503693,2.15424823760986,0.0,54.977783203125,3.37387704849243,0.110706396400928,0.0678500458598137,0.0960428789258003,55.2004165649414,2308.07006835938,2.0341055393219,0.0,59.1391677856445,2.20076751708984,1.0,1.02680778503418,-0.163972795009613,0.0,13.9212312698364,0.328567415475845,0.0,8.56123638153076,0.286244958639145
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%29,2.61323666572571,0.0,19.9065036773682,0.646476864814758,2.63399767875671,0.0,446.0,18.7114505767822,1.20494639873505,35.8300018310547,0.228339523077011,32.2071990966797,0.063900962471962,1.55750012397766,0.0,4.52580499649048,0.0,-0.20555467903614,28.1147556304932,0.739306092262268,1.7655074596405,0.0,39.2013206481934,3.17376780509949,0.16498389840126,0.143401682376862,-0.0706994757056236,36.3954162597656,1610.0400390625,1.91517984867096,0.0,33.9416809082031,1.23537516593933,0.0,1.04157376289368,-0.00650440948083997,0.144337564706802,8.90909099578857,0.164266422390938,1.0,5.23497915267944,0.321465760469437
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%2C1-3H3,6.52909851074219,0.0,11.7522029876709,1.81872248649597,8.04298305511475,0.0,719.0,18.6765785217285,3.09238886833191,26.2999992370605,0.583863437175751,42.767822265625,0.374760419130325,3.23703503608704,5.86913633346558,5.83561897277832,0.5,-0.341768890619278,35.6933670043945,0.885329306125641,3.61398553848267,0.0,55.925708770752,3.5653920173645,0.0362757034599781,0.586182355880737,0.0457729212939739,61.0287780761719,1997.06005859375,2.39987826347351,0.0,48.9697494506836,3.59247779846191,1.0,1.27447426319122,0.0524527989327908,0.496193736791611,9.24038028717041,1.13732385635376,0.0,5.43751811981201,1.38176369667053
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%29,2.62310361862183,0.0,2.40685200691223,0.600024223327637,7.03056669235229,0.5,169.0,10.3580589294434,1.02386450767517,50.189998626709,0.339297860860825,32.3344345092773,0.0849360674619675,1.37711954116821,0.0,2.50419282913208,0.0,-0.13661926984787,20.9000301361084,0.879010319709778,1.59996509552002,0.0,32.7441596984863,1.75336956977844,-0.00148902332875878,0.0965886190533638,-0.165257200598717,36.2423324584961,231.050003051758,1.15106785297394,0.0,37.762939453125,1.27157127857208,1.0,0.612984657287598,0.219339579343796,0.0,4.47258996963501,0.303080826997757,1.0,2.24000000953674,0.321635603904724
InChI%3D1S%2FC8H8Cl3O3PS%2Fc1-12-15%2816%2C13-2%2914-8-4-6%2810%295%289%293-7%288%2911%2Fh3-4H%2C1-2H3,3.75468635559082,1.5,0.333333343267441,1.4627867937088,3.30192732810974,0.0,194.0,5.65685415267944,2.77381730079651,69.5899963378906,0.504551112651825,53.2398338317871,0.145718693733215,2.73961186408997,1.48600459098816,5.08245897293091,0.0,-0.385308176279068,36.0421905517578,0.768239140510559,3.03362774848938,0.0,50.1037330627441,2.40399289131165,0.310848027467728,0.0793735086917877,-0.241101905703545,57.1789360046387,336.079986572266,1.7229015827179,1.0,49.269718170166,1.80055010318756,0.0,0.954301357269287,-0.0259905904531479,0.0,5.55765581130981,0.284517794847488,0.0,3.49519896507263,0.205950379371643
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%2C1-3H3,4.77382040023804,0.0,3.30192732810974,2.69251680374146,0.333333343267441,0.5,239.0,5.65685415267944,2.97250461578369,74.3000030517578,0.416964501142502,50.4519729614258,0.411673933267593,3.92145895957947,1.56827390193939,4.49834871292114,0.0,-0.359250247478485,37.1067924499512,0.857017993927002,5.52895736694336,1.0,77.688591003418,3.18651390075684,0.250029951334,0.0402003787457943,0.0220525972545147,52.1278686523438,682.090026855469,2.41595697402954,0.0,61.1453018188477,3.33321189880371,2.0,1.37274444103241,-0.319171071052551,0.0,6.18549346923828,0.934867918491364,0.0,4.79500532150269,0.131445854902267
InChI%3D1S%2FC12H10%2Fc1-3-7-11%288-4-1%2912-9-5-2-6-10-12%2Fh1-10H,0.942809045314789,0.0,15.6903028488159,0.16666667163372,1.0,0.0,140.0,9.4902057647705,0.38490018248558,0.0,0.0,12.0,0.0277777779847383,0.5,0.0,1.88091146945953,0.0,0.0,13.0,0.727493643760681,0.513200223445892,0.0,16.0,1.26120591163635,0.0,0.0320750139653683,0.0,14.0,397.0,0.829344630241394,0.0,10.0,0.333333343267441,0.0,0.320750147104263,0.0,0.0,4.296875,0.0833333358168602,0.0,2.25,0.117851130664349
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,4.73345041275024,0.0,4.67853116989136,1.2711638212204,4.86291837692261,0.5,294.0,12.8784227371216,2.61526226997375,42.5200004577637,0.269040733575821,57.5277061462402,0.344117164611816,3.14166283607483,0.0,4.74743032455444,0.0,-0.0588252022862434,36.2593193054199,0.950754046440125,4.27630472183228,0.0,54.3958778381348,3.12286019325256,-0.0105730900540948,0.144516557455063,-0.0523757971823215,71.5430374145508,334.070007324219,2.29146075248718,0.0,63.2122230529785,2.16865420341492,2.0,1.36948323249817,-0.0357447862625122,0.0,5.78000020980835,0.814938127994537,0.0,3.19113564491272,0.319444447755814
InChI%3D1S%2FC2H4N4%2Fc3-2-4-1-5-6-2%2Fh1H%2C%28H3%2C3%2C4%2C5%2C6%29,0.40824830532074,0.0,0.0,0.0625,0.0,0.0,29.0,0.5,0.0754441767930984,59.939998626709,0.143685355782509,7.43995237350464,0.0,0.0662912577390671,0.0,0.566941738128662,0.0,-0.117957346141338,7.19091415405273,0.510035157203674,0.0,0.0,8.77232265472412,0.309359222650528,0.0580769814550877,0.0,-0.0119623141363263,2.52617335319519,114.040000915527,0.0441941730678082,0.0,0.0,0.288675129413605,0.0,0.0,0.0,0.144337564706802,1.63265311717987,0.0,0.0,0.979591846466064,0.0
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%2C1-4H3,3.85157823562622,0.0,9.75809478759766,0.768739402294159,7.93769073486328,0.200000002980232,393.0,15.8459873199463,1.55912888050079,46.6100006103516,0.47928249835968,26.6833953857422,0.153112486004829,2.27691268920898,8.3903112411499,4.0768575668335,0.63245552778244,-0.287081509828568,26.8269233703613,0.820362150669098,2.77243638038635,0.0,37.1551361083984,2.85160541534424,0.0442177765071392,0.081551268696785,0.105088397860527,41.9304084777832,1752.0400390625,1.75979053974152,0.0,42.9856605529785,1.56160545349121,2.0,0.862528026103973,-0.207697778940201,0.0,9.62975788116455,0.472972095012665,0.0,5.25,0.24753525853157
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%2C1-5H3,3.36804533004761,0.0,6.94562911987305,1.81046080589294,2.38110160827637,0.0,328.0,6.86852598190308,1.69068372249603,,0.344526380300522,28.9821853637695,0.152476251125336,3.02158188819885,5.34176588058472,3.91461849212646,0.0,-0.317677438259125,27.0011444091797,0.791184365749359,3.72413420677185,1.0,41.3305969238281,3.3371479511261,0.348924964666367,0.0980376005172729,-0.321390956640244,41.669361114502,1605.05004882812,2.27676701545715,0.0,52.1485710144043,2.66697072982788,1.0,1.34954237937927,0.138178169727325,0.0,7.05078125,0.377425491809845,0.0,4.48753452301025,0.217914864420891
InChI%3D1S%2FC10H19ClNO5P%2Fc1-6-12%287-2%2910%2813%299%2811%298%283%2917-18%2814%2C15-4%2916-5%2Fh6-7H2%2C1-5H3,4.03797245025635,1.5,0.5,0.583911240100861,2.38110160827637,0.16666667163372,236.0,2.0800838470459,1.36288523674011,74.879997253418,0.790020704269409,35.5955009460449,0.106562986969948,1.47910904884338,4.07289791107178,3.01976370811462,1.85314404964447,-0.699491560459137,30.5196666717529,0.640239417552948,1.45696127414703,0.0,38.3351058959961,1.50707244873047,0.554194211959839,0.0,-0.275440156459808,44.899040222168,990.080017089844,0.703836143016815,1.0,40.577320098877,1.71404576301575,2.0,0.260260671377182,0.0548286810517311,0.0,8.22684288024902,0.343418926000595,0.0,5.26748991012573,0.0
InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3,0.0,0.0,1.65096366405487,0.0,1.65096366405487,1.44224953651428,123.0,5.85380077362061,0.0,68.2799987792969,0.115718580782413,16.8178520202637,0.0,0.0,1.5,1.43566012382507,0.0,0.00488941185176373,15.5462341308594,0.554322719573975,0.0,,21.5420475006104,0.70710676908493,-0.00726375402882695,0.0,-0.00685753207653761,21.4876613616943,205.059997558594,0.364276707172394,,18.0132789611816,0.0,,0.213388353586197,-0.0708917006850243,0.0,4.48148155212402,0.0,,2.72108840942383,0.0
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%2C2H3,4.36548757553101,0.0,1.79389321804047,1.01448941230774,3.78929138183594,0.25,232.0,8.26637077331543,1.50785207748413,,0.511789619922638,36.1089019775391,0.0951062366366386,2.03949403762817,2.28830480575562,3.0411159992218,0.81649661064148,-0.339242994785309,24.7303981781006,0.890839517116547,2.04670238494873,0.0,41.0687408447266,2.11012005805969,0.205278247594833,0.161493748426437,-0.179456248879433,42.2349891662598,478.059997558594,1.15123641490936,0.0,46.5964393615723,2.06008291244507,2.0,0.687051653862,0.167134791612625,0.0680413842201233,5.17479181289673,0.508714139461517,0.0,2.65927982330322,0.773125171661377
InChI%3D1S%2FC10H10O4%2Fc1-13-9%2811%297-5-3-4-6-8%287%2910%2812%2914-2%2Fh3-6H%2C1-2H3,2.08355402946472,0.200000002980232,3.96540641784668,0.227670907974243,3.96540641784668,0.200000002980232,148.0,6.87156677246094,0.529799103736877,52.5999984741211,0.562051951885223,17.0978755950928,0.0448895953595638,0.661310255527496,2.41710042953491,1.73768270015717,1.26491105556488,-0.391043871641159,15.9925518035889,0.740261197090149,0.67640632390976,0.0,20.8773059844971,1.05902874469757,0.231138527393341,0.0277777779847383,-0.0625985562801361,23.3209190368652,394.040008544922,0.636608183383942,0.0,21.9851036071777,0.743570029735565,2.0,0.255171269178391,-0.306934177875519,0.0,5.77777767181396,0.248005643486977,0.0,2.99432897567749,0.096225045621395
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%2C1-4H3,5.07075834274292,0.0,4.20253658294678,1.77415037155151,8.0873851776123,0.57235711812973,489.0,12.2891416549683,2.71335363388062,,0.584840416908264,27.4578647613525,0.28924697637558,3.20906567573547,6.70091533660889,5.32120132446289,0.94494080543518,-0.402944058179855,28.1590156555176,0.751234650611877,3.76379776000977,0.0,41.0956039428711,3.65830731391907,0.391086637973785,0.746890723705292,-0.524561107158661,42.4799346923828,2049.05004882812,2.60080742835999,0.0,41.3605308532715,2.5618588924408,3.0,1.26147377490997,0.385595083236694,0.560343742370605,6.95749998092651,0.651942789554596,0.0,3.48559665679932,1.81203305721283
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%2C1-2H3,1.94548285007477,0.200000002980232,10.3424243927002,0.227670907974243,3.96540641784668,0.200000002980232,370.0,11.9466505050659,0.505391359329224,52.5999984741211,0.545336365699768,23.0978755950928,0.0448895953595638,0.659422278404236,1.24957597255707,2.82898664474487,1.26491105556488,-0.363818198442459,21.9925518035889,0.629424393177032,0.714704036712646,,27.5414905548096,1.61302578449249,0.193818584084511,0.0277777779847383,-0.032525472342968,29.9851036071777,1384.0400390625,0.969862282276154,,31.3134708404541,0.743570029735565,,0.51934140920639,-0.324566423892975,0.0,10.6875,0.248005643486977,,6.54934597015381,0.096225045621395
InChI%3D1S%2FC9H12%2Fc1-8%282%299-6-4-3-5-7-9%2Fh3-8H%2C1-2H3,1.04044008255005,0.0,6.08364343643188,0.38490018248558,1.0,0.0,69.0,4.74510288238525,0.636894524097443,0.0,0.00105927919503301,9.0,0.096225045621395,0.51089733839035,2.82842707633972,1.46623921394348,0.0,-0.000127162595163099,9.0,0.844657778739929,0.42459636926651,,11.0,0.837939083576202,-0.000321628234814852,0.0185185186564922,-7.63912903494202e-05,9.0,369.0,0.478822350502014,,5.0,0.5,,0.165337100625038,-4.38154120274703e-06,0.0,3.23966932296753,0.16666667163372,,2.0,0.0589255653321743
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%2C1-2H3,4.20811891555786,0.5,4.79883480072021,2.71467137336731,5.67623996734619,0.25,370.0,10.4794273376465,4.62140369415283,,0.660801112651825,52.0765380859375,0.129439666867256,8.11710739135742,1.4485410451889,9.11801624298096,0.666666686534882,-0.436413943767548,46.0888442993164,0.6833536028862,9.18538093566895,1.0,64.5331802368164,8.16128063201904,0.348392695188522,0.149724587798119,-0.323000848293304,70.0726699829102,1175.08996582031,5.38505029678345,1.0,77.1226654052734,1.8616201877594,2.0,3.0725269317627,0.0578402876853943,0.0641500279307365,8.39273357391357,0.396546006202698,0.0,4.15879011154175,0.61687445640564
InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H,3.64273452758789,0.0,0.0,0.764585077762604,9.1254653930664,0.0,102.0,0.0,2.30384564399719,20.2299995422363,0.226349651813507,51.3382377624512,0.384815126657486,2.87501883506775,0.0,3.44343066215515,0.0,-0.00179769203532487,22.0907783508301,0.396095722913742,3.63859963417053,,38.1815567016602,1.72171533107758,-0.111216224730015,0.0955731347203255,-0.0553342513740063,77.8965454101562,37.060001373291,0.860857665538788,,58.8057632446289,1.15470051765442,,0.383553832769394,-4.31625630881172e-06,0.0,3.3950617313385,0.666666686534882,,1.5625,0.222222223877907
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%2C1H3,2.0790114402771,0.0,15.3729782104492,0.446607679128647,4.30178546905518,0.0,644.0,13.3140439987183,0.696404218673706,,0.371731102466583,41.1094207763672,0.0318100564181805,0.91174066066742,0.434940010309219,4.68397998809814,0.5,-0.22589910030365,32.9799423217773,0.934870839118958,1.05323600769043,1.0,45.446174621582,3.18412828445435,0.0709676966071129,0.0455132834613323,-0.0253239423036575,42.7784309387207,1801.06005859375,2.14270162582397,0.0,44.2700233459473,1.04676640033722,1.0,1.32538497447968,0.0204473026096821,0.0,12.3984375,0.136082768440247,0.0,8.04432106018066,0.214363172650337
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%2C1-3H3,3.0638473033905,0.0,9.66308879852295,0.496786832809448,4.50879764556885,0.0,327.0,14.1664810180664,1.15595817565918,29.5400009155273,0.351166874170303,21.9089260101318,0.0889354944229126,1.55945336818695,3.60365414619446,3.47625875473022,0.333333343267441,-0.18556934595108,22.4948310852051,0.814818501472473,1.59715485572815,0.0,30.7124824523926,2.33170771598816,-0.0768917500972748,0.0675251036882401,0.173260554671288,34.4866714477539,1384.03002929688,1.35410368442535,0.0,29.8229217529297,1.06423509120941,1.0,0.606803238391876,-0.0799171626567841,0.0,7.85204076766968,0.368390560150146,0.0,4.02337455749512,0.251375645399094
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%2C1-2H3,3.75809693336487,0.434126824140549,15.5708599090576,0.710176825523376,6.64349460601807,0.0,523.0,23.84543800354,1.4532151222229,,0.711455285549164,38.1706161499023,0.0883537232875824,1.782719373703,2.85837030410767,4.69231748580933,0.458566069602966,-0.409012377262115,33.7749366760254,0.810360252857208,1.9645448923111,0.0,46.2801399230957,3.0910267829895,-0.0707837417721748,0.0998776853084564,0.278423577547073,49.722240447998,1899.06005859375,2.1231734752655,0.0,44.6050262451172,1.49379348754883,1.0,1.13411295413971,-0.245933249592781,0.0,10.6837606430054,0.337267220020294,0.0,5.75778532028198,0.325880169868469
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%2C1-4H3,2.84527063369751,0.0,4.37048530578613,0.613974988460541,4.88359355926514,0.0,231.0,11.2832078933716,1.34450352191925,29.5400009155273,0.434747338294983,28.6216793060303,0.135511517524719,2.09784436225891,6.07466793060303,3.4034059047699,0.200000002980232,-0.221941351890564,22.446569442749,0.675000190734863,2.8262927532196,0.0,29.0003128051758,2.44951915740967,-0.0808344781398773,0.0518248938024044,0.173467963933945,37.5887413024902,1339.0400390625,1.62706816196442,0.0,39.3945808410645,1.09599566459656,1.0,0.77486264705658,-0.14359675347805,0.0,8.32320022583008,0.328294843435287,0.0,4.23140478134155,0.155437618494034
InChI%3D1S%2FC4H7Br2Cl2O4P%2Fc1-10-13%289%2C11-2%2912-3%285%294%286%2C7%298%2Fh3H%2C1-2H3,3.93712306022644,1.5,0.0,3.33353495597839,0.0,0.0,114.0,0.0,5.41833448410034,54.5699996948242,0.739598512649536,123.689979553223,1.32844984531403,3.47051763534546,0.5,4.15257549285889,1.5,-0.663879036903381,37.9461097717285,0.75237900018692,3.11068367958069,0.0,95.7728805541992,1.05312252044678,0.540416538715363,0.0,-0.281187504529953,131.981796264648,205.089996337891,0.728197395801544,1.0,65.9625015258789,2.49692630767822,1.0,0.27329483628273,-0.161739096045494,0.0,4.48148155212402,0.61237245798111,0.0,4.15224933624268,0.0
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%2C1-2H3,4.8864049911499,0.200000002980232,10.2044124603271,1.84618031978607,9.42908191680908,0.0,703.0,19.6294040679932,2.49684023857117,59.3199996948242,0.631684482097626,48.6109466552734,0.225947737693787,2.70376133918762,3.86244177818298,5.13575649261475,0.534522473812103,-0.288121998310089,37.3119049072266,0.898213744163513,3.17473649978638,0.0,58.3771896362305,3.31092739105225,-0.061634935438633,0.640931010246277,0.16561795771122,52.5467910766602,1589.06994628906,2.31452298164368,0.0,55.7862701416016,2.70853662490845,1.0,1.10724103450775,-0.136566579341888,0.496193736791611,10.0799999237061,0.483302026987076,0.0,5.82579278945923,1.40459990501404
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%29,3.65136551856995,0.0,1.98270320892334,0.995753526687622,6.05824279785156,0.696238338947296,333.0,9.84980869293213,1.27205157279968,,0.574943542480469,39.8288803100586,0.0752226859331131,1.86974239349365,2.97564768791199,3.12200856208801,0.0,-0.414250105619431,28.2292327880859,0.90858119726181,1.92393565177917,0.0,44.6234588623047,2.39520812034607,0.399855703115463,0.145135462284088,-0.441376090049744,44.5125389099121,805.080017089844,1.28845059871674,0.0,56.1704788208008,2.06331372261047,2.0,0.822535634040833,0.21503446996212,0.078567422926426,7.05078125,0.37306547164917,1.0,4.05000019073486,0.603152692317963
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%2C1-5H3,3.01612949371338,1.5,0.646330416202545,1.44108521938324,2.94168281555176,0.0,266.0,3.08086538314819,1.90711963176727,95.370002746582,0.543546617031097,33.8215484619141,0.0577350258827209,2.66581845283508,5.53954696655273,4.55974721908569,0.0,-0.45906063914299,33.8517189025879,0.699872076511383,2.37209272384644,0.0,43.4697799682617,3.38412761688232,0.413914769887924,0.0286596473306417,-0.362432897090912,41.4071273803711,1258.06994628906,1.54264938831329,1.0,41.7638168334961,1.91957592964172,0.0,0.986797273159027,0.218080326914787,0.0,7.69526624679565,0.16666667163372,0.0,5.47919130325317,0.155437618494034
InChI%3D1S%2FC6H13NO3S.Na%2Fc8-11%289%2C10%297-6-4-2-1-3-5-6%3B%2Fh6-7H%2C1-5H2%2C%28H%2C8%2C9%2C10%29%3B%2Fq%3B%2B1%2Fp-1,1.00310969352722,0.0,6.08364343643188,0.216596737504005,0.0,1.5,525163488.0,3.04182171821594,0.370999544858932,77.6100006103516,0.285632908344269,23.4749336242676,0.0,0.554693698883057,0.0,2.16354775428772,0.0,-0.250372052192688,20.9488468170166,0.800820112228394,0.536377310752869,0.0,20.9859600067139,1.64193844795227,0.156504809856415,0.0510310381650925,-0.0299727711826563,14.6682167053223,397.059997558594,1.13808786869049,0.0,14.4983072280884,1.76478433609009,2.0,0.371736943721771,-0.0174537599086761,0.0,4.88888883590698,0.0,0.0,5.32544374465942,0.0721687823534012
InChI%3D1S%2FC10H15OPS2%2Fc1-3-11-12%2813%2C4-2%2914-10-8-6-5-7-9-10%2Fh5-9H%2C3-4H2%2C1-2H3,1.93680453300476,0.0,7.15874099731445,3.39741611480713,0.0,0.0,170.0,3.44160127639771,5.49251508712769,76.4300003051758,0.152647241950035,32.6803894042969,0.0,7.34266519546509,0.447213590145111,8.20757389068604,0.0,-0.083590880036354,31.7858638763428,0.849363029003143,6.21160078048706,1.0,41.3203964233398,5.65989065170288,0.0125428251922131,0.039283711463213,-0.0109102427959442,34.0891990661621,659.039978027344,3.38220000267029,1.0,27.1707897186279,1.13090085983276,0.0,1.82041966915131,0.00173615640960634,0.0,5.77777767181396,0.0,0.0,3.96000003814697,0.0721687823534012
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%29,1.87561523914337,0.0,6.45515155792236,0.379690766334534,3.14734530448914,0.0,238.0,8.00344467163086,0.94354808330536,,0.322891980409622,24.036678314209,0.0931186228990555,1.20997631549835,1.70914804935455,3.29184412956238,0.25,-0.164527058601379,21.6682167053223,,1.28226053714752,1.0,29.3897457122803,2.21097350120544,-0.0672471523284912,0.10809437930584,0.0325915552675724,31.3908805847168,660.039978027344,1.46519470214844,0.0,21.8246440887451,0.811611413955688,0.0,0.568450570106506,0.109154462814331,0.0,6.07438039779663,0.19245009124279,1.0,3.49519896507263,0.203614637255669
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%29,4.92870712280273,0.0,10.8488063812256,0.95981878042221,10.7566661834717,0.94494080543518,558.0,20.277099609375,2.15444278717041,,0.659746408462524,30.9054145812988,0.193468108773232,2.86790466308594,0.897316217422485,5.49305438995361,0.0,-0.242021694779396,32.0737266540527,0.820107638835907,3.53887033462524,0.0,45.2606315612793,3.94646501541138,-0.129058614373207,0.357806622982025,-0.146106049418449,53.0220603942871,2159.07006835938,2.84948754310608,0.0,52.8895721435547,1.97935700416565,2.0,1.86750531196594,0.288331657648087,0.0,7.78799343109131,0.63663649559021,1.0,3.80580282211304,0.775881409645081
InChI%3D1S%2FC12H12N2%2Fc1-3-7-13-9-10-14-8-4-2-6-12%2814%2911%2813%295-1%2Fh1-8H%2C9-10H2,1.82649207115173,0.0,14.8473701477051,0.381720691919327,1.0,0.0,170.0,8.50282955169678,1.10406935214996,,0.162430375814438,14.7199764251709,0.104056939482689,1.87841093540192,0.0,3.91961240768433,0.0,-0.0821050181984901,16.9971122741699,0.740889847278595,2.6114501953125,0.0,23.3294811248779,3.16491675376892,-0.0609587766230106,0.205669313669205,0.0812335163354874,23.0247287750244,1114.02001953125,2.56391787528992,0.0,16.6647415161133,0.605498850345612,0.0,1.51187324523926,-0.0232678279280663,0.0,3.86776852607727,0.191638320684433,0.0,1.64828300476074,0.371211022138596
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%2C1-2H3,4.58840990066528,0.0,8.69190216064453,1.32889437675476,3.91424512863159,0.333333343267441,337.0,15.5898456573486,1.93664383888245,46.5299987792969,0.402813315391541,110.83959197998,0.145252838730812,2.17081260681152,2.92173647880554,4.21947526931763,0.81649661064148,-0.179166406393051,35.6337203979492,0.730208575725555,2.56192755699158,0.0,58.7098159790039,2.61257028579712,-0.100788466632366,0.136886715888977,0.129028648138046,63.1484680175781,1059.05004882812,1.94318199157715,0.0,51.2867317199707,2.07462286949158,1.0,1.28193199634552,0.0135192386806011,0.0,7.71349859237671,0.733301997184753,1.0,4.30839014053345,0.25
InChI%3D1S%2FC7H13O6P%2Fc1-6%285-7%288%2910-2%2913-14%289%2C11-3%2912-4%2Fh5H%2C1-4H3,2.51063656806946,1.85314404964447,0.0,0.348629206418991,0.5,0.16666667163372,159.0,2.0,0.552688717842102,80.870002746582,0.831988573074341,24.2972278594971,0.0,0.579788684844971,2.42946577072144,1.57733941078186,2.42946577072144,-0.763272225856781,24.7335586547852,0.761939764022827,0.43774488568306,0.0,28.4861698150635,0.75281822681427,0.666885256767273,0.0,-0.412969946861267,24.47487449646,494.070007324219,0.340150713920593,1.0,20.7845134735107,1.50412690639496,2.0,0.0879847630858421,0.215046420693398,0.0,6.47750854492188,0.0,0.0,5.48096895217896,0.0
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%29,0.577350258827209,0.0,19.1782283782959,0.155502110719681,0.0666666701436043,0.0,500.0,3.66455483436584,0.109956599771976,88.1999969482422,0.376236647367477,22.6289024353027,0.0,0.0777510553598404,0.5,3.191890001297,0.5,-0.257107794284821,20.6610164642334,0.86368876695633,0.0549782998859882,0.0,23.0168952941895,2.08023023605347,0.106714904308319,0.0,-0.029239559546113,18.1627388000488,2120.05004882812,1.3459450006485,0.0,17.1627388000488,0.81649661064148,1.0,0.863338470458984,-0.0077746300958097,0.0,15.3900003433228,0.0,0.0,19.0588226318359,0.0
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%2C2-6H3,4.51125478744507,0.0,1.44224953651428,1.81525766849518,9.35554885864258,0.16666667163372,413.0,9.47784423828125,2.77576041221619,43.3699989318848,0.415267020463943,24.3234062194824,0.311660498380661,3.13606452941895,10.9791650772095,4.71444368362427,0.70710676908493,-0.191579267382622,24.3283672332764,0.833785891532898,3.37407088279724,0.0,34.7670211791992,3.07025861740112,0.0566780343651772,0.697323858737946,-0.150567620992661,34.6530113220215,1747.03002929688,1.94815766811371,0.0,35.4274826049805,2.4996120929718,2.0,0.93906831741333,0.108615897595882,0.574761152267456,6.85714292526245,0.55313503742218,0.0,3.75308632850647,1.58842551708221
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%2C1-2H3,4.1889476776123,0.608220219612122,8.97106170654297,0.572224676609039,3.43569183349609,0.0,754.0,14.4580173492432,0.878164649009705,57.6500015258789,0.888810396194458,34.963996887207,0.0553561411798,0.883155941963196,2.03771543502808,3.49682211875916,0.825481832027435,-0.519438922405243,32.4023704528809,0.754840075969696,0.870188176631927,0.0,49.2327117919922,2.00204133987427,0.0494445040822029,0.0422228537499905,0.0263792183250189,45.8591232299805,1602.07995605469,1.24787724018097,0.0,39.268424987793,2.59413981437683,1.0,0.628140270709991,0.0218576788902283,0.0,11.2534627914429,0.599679350852966,0.0,8.09951305389404,0.218443363904953
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%29,4.28867101669312,0.090909093618393,3.80727863311768,0.854319393634796,5.50270652770996,1.42381393909454,594.0,9.51453399658203,1.43145215511322,,0.927502512931824,46.9272727966309,0.120112083852291,1.94524192810059,2.2487781047821,3.94491815567017,1.35477125644684,-0.677612900733948,42.0036354064941,0.859574496746063,2.07078218460083,0.0,56.650691986084,2.69532346725464,0.595542311668396,0.0666891485452652,-0.673881828784943,60.8938331604004,1147.11999511719,1.61581027507782,0.0,70.6746368408203,2.52571153640747,3.0,0.833499372005463,0.336980193853378,0.0,10.6837606430054,0.428855359554291,1.0,6.77953815460205,0.254045605659485
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%29,4.35770654678345,0.090909093618393,3.96540641784668,0.838079810142517,5.50270652770996,1.42381393909454,542.0,6.484206199646,1.44807934761047,,0.958904266357422,38.5745086669922,0.114717841148376,1.95552241802216,4.031494140625,3.98130059242249,1.35477125644684,-0.79074764251709,39.3842658996582,0.599923312664032,2.08239483833313,0.0,51.8659400939941,2.70116305351257,0.756403386592865,0.0766307339072227,-0.682878851890564,56.3227310180664,1466.11999511719,1.64937102794647,0.0,61.3842811584473,2.52571153640747,3.0,0.816033720970154,0.253541797399521,0.0,9.97229957580566,0.428855359554291,1.0,6.26086950302124,0.254045605659485
InChI%3D1S%2FC12H14N2%2Fc13-8-9-14-12-7-3-5-10-4-1-2-6-11%2810%2912%2Fh1-7%2C14H%2C8-9%2C13H2,1.38068211078644,0.0,11.5796747207642,0.227670907974243,2.38110160827637,0.0,181.0,11.696270942688,0.559204041957855,38.0499992370605,0.0859493538737297,14.7199764251709,0.0448895953595638,0.819384932518005,0.0,2.24942445755005,0.0,-0.0323376543819904,15.498556137085,0.767044842243195,0.943503081798553,0.0,19.6647415161133,1.58639764785767,-0.0379227101802826,0.0697323083877563,0.033585824072361,19.8585433959961,659.02001953125,1.0926661491394,0.0,15.664740562439,0.469416111707687,0.0,0.547699630260468,-0.00319017819128931,0.0,5.18559551239014,0.136082768440247,0.0,2.53439998626709,0.251375645399094
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%2C1H3,4.52014017105103,0.0,13.6788625717163,0.905696094036102,6.63197565078735,0.0,436.0,20.3938236236572,1.70571434497833,,0.490348100662231,29.640588760376,0.15186819434166,2.31763672828674,1.54308187961578,4.49364709854126,0.0,-0.250023633241653,28.5760021209717,0.94398057460785,3.09368753433228,0.0,45.2480430603027,3.27712106704712,-0.0114829326048493,0.138195022940636,-0.0509561449289322,44.3176345825195,1384.05004882812,2.46219682693481,0.0,43.0372848510742,2.59698700904846,1.0,1.35810506343842,0.158872187137604,0.0,7.70914125442505,0.726230323314667,0.0,4.41145849227905,0.323965907096863
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%2C1H3,4.60834836959839,0.25,5.48673915863037,0.66884708404541,4.7000994682312,0.5,467.0,14.3522424697876,1.14801645278931,52.5999984741211,0.622854709625244,39.6767501831055,0.100262925028801,1.30554282665253,1.05623698234558,3.21019530296326,0.81649661064148,-0.285691052675247,31.2985782623291,0.906868696212769,1.46037209033966,0.0,50.2506294250488,2.08590865135193,-0.046412356197834,0.0795264393091202,0.0102788805961609,51.5329284667969,744.090026855469,1.3685896396637,0.0,48.326343536377,2.75293874740601,2.0,0.679407715797424,0.0681882053613663,0.0,8.58950614929199,0.754987955093384,0.0,5.49702548980713,0.285683363676071
InChI%3D1S%2FC7H4Cl3NO3%2Fc8-3-1-4%289%297%2811-6%283%2910%2914-2-5%2812%2913%2Fh1H%2C2H2%2C%28H%2C12%2C13%29,2.33358860015869,0.0,0.25,0.564293265342712,3.87917613983154,0.5,168.0,4.59175682067871,1.00232315063477,,0.544802665710449,39.8216552734375,0.112873218953609,0.980071365833282,0.0,2.13063788414001,0.666666686534882,-0.255913019180298,21.5159511566162,0.898237586021423,1.25393283367157,0.0,34.1896324157715,1.20427596569061,-0.126059740781784,0.0614824593067169,0.185315892100334,43.8817253112793,142.070007324219,0.772702872753143,0.0,32.6141510009766,1.28202176094055,1.0,0.340672612190247,-0.128822922706604,0.0,5.18559551239014,0.284517794847488,1.0,3.59183669090271,0.205950379371643
InChI%3D1S%2FC6H8O6%2Fc7-1-2%288%295-3%289%294%2810%296%2811%2912-5%2Fh2%2C5%2C7-10H%2C1H2,2.75469398498535,0.0,0.0,0.335568726062775,6.08364343643188,2.35033822059631,109.0,2.00685381889343,0.61109459400177,,0.63394683599472,16.6468143463135,0.0604817979037762,0.649395048618317,0.0,1.4760023355484,1.70639371871948,-0.168417930603027,14.3246440887451,0.62569785118103,0.56864470243454,0.0,21.4274806976318,0.822777032852173,-0.218943372368813,0.0584451928734779,0.0723711773753166,24.3035507202148,268.059997558594,0.387654721736908,0.0,15.3159589767456,0.992387473583221,1.0,0.139851212501526,-0.0212198682129383,0.078567422926426,3.80622839927673,0.42198634147644,4.0,1.85950410366058,0.449220955371857
InChI%3D1S%2FC7H7NO2%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4H%2C8H2%2C%28H%2C9%2C10%29,1.49826681613922,0.0,3.96540641784668,0.20114566385746,2.38110160827637,0.5,76.0,5.55315780639648,0.373803436756134,63.3199996948242,0.215010762214661,11.9089260101318,0.0372324176132679,0.38775846362114,0.0,1.19119846820831,0.0,-0.104750737547874,10.8303689956665,0.586206912994385,0.304398387670517,0.0,14.7710237503052,0.691772222518921,0.0243179220706224,0.0299263969063759,-0.0614637583494186,13.8269233703613,199.029998779297,0.355156183242798,0.0,10.6014852523804,0.705118358135223,1.0,0.104194834828377,0.034843273460865,0.0,3.40828394889832,0.232307806611061,1.0,1.99111115932465,0.131445854902267
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%2C1H3,4.66341161727905,0.0,6.14874696731567,0.792937934398651,4.13085174560547,1.44224953651428,344.0,12.1425800323486,1.214390873909,71.5199966430664,0.4652219414711,32.6839714050293,0.114049226045609,1.68843078613281,0.977589190006256,3.48698663711548,0.0,-0.204799607396126,29.7901458740234,0.168978974223137,2.19697690010071,0.0,44.4582748413086,2.42873668670654,0.0224138014018536,0.161929473280907,0.0936954021453857,46.3630905151367,1129.09997558594,1.75879836082458,0.0,54.2169647216797,2.93109703063965,4.0,1.10155487060547,-0.0350714512169361,0.0,8.13148307800293,0.851455628871918,0.0,5.25,0.309608340263367
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%29,3.08845400810242,0.0,0.0,0.508093118667603,6.53404712677002,0.5,181.0,2.14426136016846,1.02563977241516,,0.615800738334656,34.9709358215332,0.131667032837868,1.10239863395691,0.0,2.09870171546936,0.666666686534882,-0.265105962753296,21.312183380127,0.764089107513428,1.18374264240265,0.0,33.5544319152832,1.11214649677277,-0.140970304608345,0.0507496558129787,0.109528243541718,46.314998626709,190.080001831055,0.595783889293671,0.0,34.1774024963379,1.38796746730804,1.0,0.308638602495193,-0.0290017742663622,0.0,5.36507940292358,0.454530030488968,1.0,3.22560000419617,0.213518694043159
InChI%3D1S%2FC6H6ClN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,0.81649661064148,0.0,3.30192732810974,0.285207271575928,0.333333343267441,0.0,58.0,5.65685415267944,0.329329013824463,26.0200004577637,0.0410009883344173,16.0727424621582,0.0,0.259733587503433,0.0,1.12198138237,0.0,-0.0123502882197499,10.1179227828979,0.609652638435364,0.316126346588135,,14.2358455657959,0.588768482208252,-0.00201437715440989,0.0475345477461815,-0.0010634494246915,11.2358455657959,140.020004272461,0.440440118312836,,4.11792278289795,0.577350258827209,,0.095069095492363,-0.0180799681693316,0.0,2.51999998092651,0.0,,1.79999995231628,0.16666667163372
InChI%3D1S%2FC2I4%2Fc3-1%284%292%285%296,1.33333337306976,0.0,0.0,3.21428561210632,1.0,0.0,24.0,0.0,16.2994041442871,0.0,0.0143147800117731,448.554656982422,10.3316326141357,0.0,0.0,6.42857122421265,0.0,-0.00477159349247813,43.2636795043945,0.651144683361053,0.0,0.0,265.541015625,0.0,-0.00715739000588655,0.0,0.00477159349247813,446.554656982422,5.03999996185303,0.0,0.0,0.0,0.666666686534882,0.0,0.0,0.0,0.0,2.22222232818604,0.333333343267441,0.0,3.0,0.0
InChI%3D1S%2FC12H14O3%2Fc1-3-14-11%2813%2910-12%282%2C15-10%299-7-5-4-6-8-9%2Fh4-8%2C10H%2C3H2%2C1-2H3,2.58098244667053,0.333333343267441,5.69588470458984,0.613547742366791,1.65096366405487,0.0,211.0,5.84420585632324,1.10687875747681,,0.46637150645256,17.3234062194824,0.141058772802353,1.29663181304932,1.94416129589081,2.53556561470032,0.81649661064148,-0.228901341557503,17.6604595184326,0.871870398521423,1.30037224292755,0.0,22.7670211791992,1.56783843040466,-0.0797488838434219,0.216861382126808,0.128975421190262,23.2093982696533,690.030029296875,0.912188827991486,0.0,19.6567363739014,1.19065701961517,1.0,0.44832056760788,-0.0559870675206184,0.185892507433891,4.47258996963501,0.395695686340332,0.0,2.24000000953674,0.92249447107315
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%2C1-3H3,10.2653741836548,0.0,2.40685200691223,1.87493407726288,25.2554893493652,5.04098844528198,582.0,12.9168510437012,4.17410087585449,181.619995117188,0.846275269985199,38.9157295227051,0.637144446372986,6.37066555023193,8.43919086456299,7.00558853149414,0.0,-0.1579450070858,38.321475982666,0.864234209060669,9.1393928527832,0.0,64.6975860595703,5.48943710327148,-0.084120087325573,0.267828583717346,-0.253435164690018,88.2319030761719,2372.10009765625,4.17581415176392,0.0,98.5991744995117,3.92550897598267,3.0,2.8578634262085,-0.0936982557177544,0.0,8.29369831085205,1.96559751033783,5.0,3.37035131454468,0.660680532455444
InChI%3D1S%2FC2H7O3P%2Fc1-2-5-6%283%294%2Fh6H%2C2H2%2C1H3%2C%28H%2C3%2C4%29,0.288675129413605,0.0,0.0,0.111803397536278,0.0,0.5,31.0,0.0,0.079056940972805,70.0,0.383322209119797,13.9738206863403,0.0,0.079056940972805,0.0,0.803438544273376,1.0,-0.331193804740906,12.6378469467163,,0.0,0.0,9.23433876037598,0.370425850152969,0.191814437508583,0.0,-0.0394734553992748,5.24302339553833,114.040000915527,0.0,0.0,2.66418385505676,0.40824830532074,1.0,0.0,-0.0128082726150751,0.0,3.20000004768372,0.0,1.0,5.33333349227905,0.0
InChI%3D1S%2FC9H19NOS%2Fc1-4-7-10%288-5-2%299%2811%2912-6-3%2Fh4-8H2%2C1-3H3,1.02022004127502,0.0,3.58146524429321,0.223606795072556,0.0,0.0,116.0,2.12570738792419,0.577858865261078,45.6100006103516,0.208221346139908,19.2622108459473,0.0559016987681389,0.871702790260315,0.825481832027435,2.30688452720642,0.0,-0.177008062601089,15.1702184677124,0.791540503501892,1.02500665187836,1.0,19.2254848480225,1.6610734462738,0.14406281709671,0.0,-0.0693128257989883,17.8344020843506,768.030029296875,1.05626559257507,0.0,17.5020313262939,0.402368932962418,1.0,0.499101728200912,-0.00612780265510082,0.0,7.63888883590698,0.117851130664349,0.0,5.32544374465942,0.0
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%2C1-4H3,5.45274448394775,0.0,0.5,1.06794381141663,6.35979080200195,1.44224953651428,275.0,5.60793161392212,1.78220582008362,71.5199966430664,0.463155657052994,31.6839733123779,0.253803461790085,2.66484522819519,7.77664518356323,3.16128253936768,0.0,-0.196247428655624,27.7901458740234,0.835603833198547,2.92824816703796,0.0,45.7906455993652,2.42342233657837,0.00787213258445263,0.0383675172924995,0.0899641513824463,46.8645324707031,1015.09997558594,1.3601850271225,0.0,55.2169647216797,3.33808398246765,4.0,0.729861319065094,-0.0273882932960987,0.0,7.92000007629395,1.05515933036804,0.0,4.9886622428894,0.124002821743488
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,3.20785856246948,0.0,8.69190216064453,2.48497605323792,3.34162521362305,0.0,290.0,15.6241292953491,2.37673115730286,0.0,0.181655734777451,57.5637664794922,0.326477825641632,3.64608716964722,0.0,3.8926100730896,0.0,-0.0869998782873154,29.7586860656738,0.697299659252167,4.33341360092163,0.0,65.800422668457,2.88878059387207,-0.0154476864263415,0.095069095492363,0.012772997841239,47.5173721313477,499.049987792969,1.95020616054535,0.0,55.3243217468262,2.37293410301208,0.0,1.02205514907837,0.0449863858520985,0.0,6.18549346923828,0.38490018248558,0.0,3.98615908622742,0.262891709804535
InChI%3D1S%2FC10H12N2O3S%2Fc1-7%282%2912-10%2813%298-5-3-4-6-9%288%2911-16%2812%2C14%2915%2Fh3-7%2C11H%2C1-2H3,3.58151912689209,0.0,3.96540641784668,0.855325043201447,3.14734530448914,0.94494080543518,179.0,6.01872634887695,1.65964698791504,,0.341001242399216,25.1711368560791,0.233161211013794,2.54656839370728,2.87443280220032,3.21429538726807,0.0,-0.259424895048141,27.1703758239746,0.78154319524765,2.71830129623413,0.0,36.074161529541,2.48804807662964,0.276938706636429,0.0994400382041931,-0.261385858058929,41.2214813232422,601.059997558594,1.39613258838654,0.0,37.2580032348633,1.97523474693298,3.0,0.823575437068939,0.0714824572205544,0.0,4.34911251068115,0.530697226524353,0.0,2.20415234565735,0.303125232458115
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%2C1-4H3,3.77821469306946,0.200000002980232,13.4274263381958,1.68096351623535,5.31624794006348,0.0,644.0,16.5227203369141,2.22246408462524,35.5299987792969,0.394652277231216,28.3234062194824,0.193447262048721,2.40153884887695,6.24484920501709,4.76929140090942,0.534522473812103,-0.227085039019585,29.6604595184326,0.872570931911469,2.70212411880493,0.0,40.0991134643555,3.09532594680786,0.0654188469052315,0.598720610141754,-0.0492792539298534,37.6530113220215,2266.03002929688,2.11736416816711,0.0,36.9851036071777,2.38108277320862,1.0,0.959482610225677,-0.0530009195208549,0.496193736791611,9.0,0.282117545604706,0.0,5.51770114898682,1.37706232070923
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%29,1.70845210552216,0.0,3.96540641784668,0.249712124466896,2.67269611358643,0.0,185.0,5.61932992935181,0.483388423919678,,0.402431428432465,16.6289024353027,0.020833333954215,0.637202382087708,0.970983564853668,1.9336199760437,0.5,-0.397355079650879,16.99338722229,0.759437441825867,0.604162633419037,0.0,23.626106262207,1.29321253299713,0.360863924026489,0.0905647873878479,-0.295625060796738,19.491943359375,494.049987792969,0.795491576194763,0.0,15.878604888916,0.826132595539093,0.0,0.39181986451149,0.218632310628891,0.096225045621395,4.67999982833862,0.0833333358168602,1.0,2.53439998626709,0.397697448730469
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%29,3.82744979858398,0.0,3.96540641784668,0.887907803058624,4.09288930892944,0.94494080543518,446.0,5.2049355506897,1.56691825389862,0.0,0.707091867923737,41.7383232116699,0.148494318127632,2.12365484237671,2.71335864067078,3.91054916381836,0.412740916013718,-0.598640203475952,37.339729309082,0.934095621109009,2.04141855239868,0.0,50.3307647705078,2.6632125377655,0.618896842002869,0.0942388847470284,-0.718420326709747,57.7764625549316,1094.10998535156,1.45293772220612,0.0,56.3707275390625,2.38962864875793,2.0,0.72405070066452,0.61362761259079,0.0,8.39273357391357,0.367851138114929,1.0,5.5,0.289266437292099
InChI%3D1S%2FC10H12O3%2Fc1-2-7-13-10%2812%298-3-5-9%2811%296-4-8%2Fh3-6%2C11H%2C2%2C7H2%2C1H3,1.42846834659576,0.0,5.03405094146729,0.199535593390465,1.31037068367004,0.16666667163372,172.0,8.10121250152588,0.327908039093018,46.5299987792969,0.326969474554062,15.3234071731567,0.0138888889923692,0.329024136066437,0.552604734897614,1.54028749465942,0.577350258827209,-0.202349692583084,14.3283681869507,0.766338765621185,0.336629718542099,0.0,18.434928894043,0.875606000423431,0.0776524692773819,0.0263114888221025,-0.00718582887202501,17.6567363739014,469.029998779297,0.562857329845428,0.0,12.9925518035889,0.6910440325737,1.0,0.239338234066963,-0.00793563667684793,0.0,5.671875,0.117851130664349,1.0,3.70370364189148,0.131445854902267
InChI%3D1S%2FCCl3F%2Fc2-1%283%2C4%295,0.0,0.0,0.0,1.4578629732132,0.0,0.0,12.0,0.0,0.0,0.0,0.222923904657364,29.6403045654297,0.0,0.0,0.0,0.0,0.0,-0.173871904611588,10.4369974136353,0.619650602340698,0.0,0.0,40.1453018188477,0.0,0.0624099485576153,0.0,0.0,0.0,4.03999996185303,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,,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%29,3.39971566200256,0.0,3.53277564048767,0.560337424278259,1.19055080413818,0.0,200.0,5.77497339248657,0.73736035823822,35.8300018310547,0.468754917383194,22.0005779266357,0.080435648560524,0.559092283248901,1.65096366405487,1.80258059501648,0.0,-0.378765612840652,18.9083728790283,0.792429327964783,0.601892173290253,0.0,31.0507774353027,0.967251718044281,0.24727563560009,0.0263114888221025,-0.0835680961608887,26.3179130554199,489.059997558594,0.630167424678802,0.0,21.8196353912354,2.283522605896,0.0,0.270296722650528,-0.103376008570194,0.0,5.55765581130981,0.668714940547943,1.0,4.42361116409302,0.100592233240604
InChI%3D1S%2FC48H72O14%2Fc1-11-25%282%2943-28%285%2917-18-47%2862-43%2923-34-20-33%2861-47%2916-15-27%284%2942%2826%283%2913-12-14-32-24-55-45-40%2849%2929%286%2919-35%2846%2851%2958-34%2948%2832%2C45%2952%2959-39-22-37%2854-10%2944%2831%288%2957-39%2960-38-21-36%2853-9%2941%2850%2930%287%2956-38%2Fh12-15%2C17-19%2C25-26%2C28%2C30-31%2C33-45%2C49-50%2C52H%2C11%2C16%2C20-24H2%2C1-10H3%2Ft25-%2C26-%2C28-%2C30-%2C31-%2C33%2B%2C34-%2C35-%2C36-%2C37-%2C38-%2C39-%2C40%2B%2C41-%2C42-%2C43%2B%2C44-%2C45%3F%2C47%2B%2C48%3F%2Fm0%2Fs1,13.5404386520386,6.05961799621582,14.503776550293,3.03833699226379,0.0,0.638092994689941,2323.0,47.2979698181152,6.34796667098999,,2.0524959564209,72.8425674438477,0.569714188575745,9.1360912322998,26.5580558776855,14.5039873123169,4.37325000762939,-1.00763356685638,75.9702072143555,0.889391303062439,11.33873462677,0.0,117.71736907959,10.5597095489502,-0.0970097929239273,0.504789769649506,-0.178734108805656,141.58723449707,15818.1396484375,7.45288896560669,0.0,145.250183105469,5.51196813583374,1.0,4.5650806427002,0.344570219516754,0.0833333358168602,21.1072673797607,1.63444399833679,3.0,10.6835670471191,1.32734656333923
InChI%3D1S%2FC8H19O2PS2%2Fc1-4-7-12-11%289%2C10-6-3%2913-8-5-2%2Fh4-8H2%2C1-3H3,1.43566012382507,0.0,2.89720273017883,1.09599328041077,0.0,0.0,138.0,0.0,1.8405876159668,86.7099990844727,0.286580353975296,32.4548568725586,0.0,2.75828766822815,0.0,5.16705656051636,0.5,-0.242748066782951,32.3120613098145,0.714299917221069,2.76215481758118,2.0,39.5359992980957,3.89250564575195,0.2088283598423,0.0,-0.118126168847084,30.4156894683838,805.049987792969,2.96262621879578,1.0,25.4972801208496,0.926776707172394,1.0,1.43813097476959,-0.00190092669799924,0.0,7.40816307067871,0.0,0.0,6.12244892120361,0.0
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,3.24401473999023,0.5,4.87876176834106,0.55030745267868,5.67623996734619,0.0,246.0,12.2839937210083,1.15677285194397,,0.61980938911438,23.2730026245117,0.104725830256939,1.69709599018097,0.0,3.23851728439331,0.0,-0.47565495967865,22.9904937744141,0.840407490730286,1.81945860385895,0.0,38.5317687988281,2.42321848869324,0.274719446897507,0.162817075848579,-0.10408503562212,31.6523418426514,594.059997558594,1.42742276191711,0.0,31.0123291015625,1.94868838787079,0.0,0.812174081802368,0.0108337011188269,0.201184466481209,4.83555555343628,0.247193872928619,0.0,2.40000009536743,0.789246201515198
InChI%3D1S%2FC4H10NO3PS%2Fc1-4%286%295-9%287%2C8-2%2910-3%2Fh1-3H3%2C%28H%2C5%2C6%2C7%29,1.94841480255127,0.0,0.0,0.587174296379089,0.0,0.25,70.0,0.0,1.01645171642303,94.0,0.417277187108994,24.4615612030029,0.0,1.08075726032257,1.19055080413818,2.13226652145386,0.70710676908493,-0.369916975498199,24.2630100250244,0.708232641220093,0.594219148159027,1.0,26.8959255218506,1.02398812770844,0.349547892808914,0.0,-0.282145082950592,20.346492767334,271.059997558594,0.354670852422714,1.0,15.4393062591553,1.33502495288849,1.0,0.0,0.11801590025425,0.0,4.0,0.0,1.0,3.70247936248779,0.0
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%29,5.11621618270874,0.0,4.52188587188721,0.727733850479126,6.48384094238281,1.62865054607391,465.0,14.4383792877197,1.24337410926819,80.6699981689453,0.671149611473083,40.4512176513672,0.116858467459679,1.37565720081329,0.0,3.17750811576843,0.730296730995178,-0.316678464412689,31.2985782623291,0.93472146987915,1.51420867443085,0.0,51.6930084228516,2.01516962051392,0.0776693597435951,0.0817336365580559,0.0330509319901466,52.8098297119141,472.100006103516,1.30798602104187,0.0,49.9362373352051,3.05568814277649,3.0,0.613401293754578,-0.3865966796875,0.0,8.13148307800293,0.878584921360016,1.0,5.25,0.276854544878006
InChI%3D1S%2FC12H11NO2%2Fc1-13-12%2814%2915-11-8-4-6-9-5-2-3-7-10%289%2911%2Fh2-8H%2C1H3%2C%28H%2C13%2C14%29,1.81439781188965,0.0,8.73702907562256,0.255252510309219,3.14734530448914,0.0,194.0,11.1401453018188,0.570337891578674,41.8199996948242,0.27905410528183,16.9089260101318,0.0410666055977345,0.765579283237457,1.01626551151276,2.14216327667236,0.5,-0.258491635322571,17.3286457061768,0.791488230228424,0.857429087162018,,23.5455856323242,1.42868208885193,0.199997544288635,0.0675251036882401,-0.0879223123192787,23.1587371826172,519.030029296875,0.969816863536835,,18.9928302764893,0.75809121131897,0.0,0.464180260896683,0.00060497474623844,0.0,5.36507940292358,0.136082768440247,1.0,2.76543211936951,0.251375645399094
InChI%3D1S%2FC6H5Cl%2Fc7-6-4-2-1-3-5-6%2Fh1-5H,0.40824830532074,0.0,6.08364343643188,0.188982233405113,0.0,0.0,45.0,3.04182171821594,0.218217894434929,0.0,0.0253398139029741,14.7127532958984,0.0,0.188982233405113,0.0,0.985086858272552,0.0,-0.00822960771620274,8.95173740386963,0.437964081764221,0.145478591322899,,11.9034748077393,0.560145676136017,-0.0041178073734045,0.0363696478307247,-0.000310150673612952,8.90347480773926,102.01000213623,0.31843826174736,,2.95173740386963,0.288675129413605,,0.0727392956614494,-1.23409672596608e-05,0.0,2.34375,0.0,,1.5,0.102062076330185
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%29,6.93012809753418,0.0,13.497633934021,2.44885730743408,7.27739477157593,0.409913837909698,603.0,25.3226547241211,6.48212814331055,57.5299987792969,0.267301738262177,29.3234062194824,1.02234101295471,11.4271841049194,6.02293872833252,10.211859703064,0.0,-0.116824418306351,30.9962768554688,0.811223030090332,16.3264007568359,0.0,49.1028366088867,8.7630443572998,-0.0112868472933769,0.94347369670868,-0.00525162275880575,54.328369140625,4198.02978515625,7.03657674789429,0.0,49.328369140625,2.95213150978088,1.0,5.27171230316162,-0.000274349440587685,0.0833333358168602,7.35626983642578,1.02234101295471,2.0,3.33615493774414,0.976046919822693
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%2C1-2H3,3.73083829879761,0.669432938098907,12.3567848205566,0.675431251525879,3.24218940734863,0.0,665.0,16.3070964813232,1.32937717437744,,0.705131709575653,38.8905944824219,0.0734880417585373,1.67420542240143,2.05043816566467,4.47845315933228,0.908560276031494,-0.448169529438019,34.6886711120605,0.953469157218933,1.77848434448242,0.0,48.3285636901855,2.99605178833008,0.0666452944278717,0.145061954855919,0.138980746269226,50.1582832336426,1899.07995605469,1.93850481510162,0.0,45.8195114135742,1.50066709518433,1.0,1.08461558818817,-0.152998298406601,0.117851130664349,10.6837606430054,0.303155303001404,0.0,5.75778532028198,0.441747069358826
InChI%3D1S%2FC4H8Cl3O4P%2Fc1-10-12%289%2C11-2%293%288%294%285%2C6%297%2Fh3%2C8H%2C1-2H3,4.10631465911865,0.5,0.0,2.16845107078552,0.0,0.333333343267441,86.0,0.0,2.17930173873901,65.5699996948242,0.704494714736938,43.8865509033203,0.377528458833694,2.579829454422,0.666666686534882,2.31156826019287,1.63299322128296,-0.361801147460938,26.7360820770264,0.644509434700012,2.66908669471741,0.0,56.8170166015625,1.21872746944427,0.00805314723402262,0.0,-0.225631818175316,51.2801818847656,229.080001831055,0.538121998310089,1.0,41.0520553588867,2.31294894218445,1.0,0.0,0.352173954248428,0.0,3.80622839927673,0.709305644035339,1.0,2.77777767181396,0.0
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%29,2.64256739616394,0.0,5.97891187667847,0.34454944729805,4.17979383468628,0.16666667163372,360.0,9.36579990386963,0.781716525554657,40.4599990844727,0.563475012779236,24.7633590698242,0.0646115019917488,1.13643515110016,1.78482556343079,3.08841872215271,0.577350258827209,-0.564393401145935,24.8240356445312,0.607832610607147,1.28214597702026,0.0,34.2592124938965,2.01892852783203,0.566846787929535,0.12275443226099,-0.520853102207184,34.4853324890137,1344.06994628906,1.29169356822968,0.0,36.3665313720703,1.10490465164185,0.0,0.744679570198059,0.440394252538681,0.078567422926426,8.58501815795898,0.247525274753571,2.0,4.48753452301025,0.509192645549774
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%2C1H3,4.56718683242798,0.0,4.84461307525635,0.588813781738281,3.53277564048767,1.44224953651428,309.0,8.86262512207031,1.13761103153229,71.5199966430664,0.516446053981781,39.3967247009277,0.114049226045609,1.60648703575134,0.777652323246002,3.12361669540405,0.0,-0.220529720187187,29.7418823242188,0.197015464305878,2.05003142356873,0.0,45.4100112915039,2.28157877922058,-0.0224957801401615,0.0383675172924995,0.163731664419174,47.4729919433594,790.109985351562,1.5752956867218,0.0,56.1204414367676,2.72697305679321,4.0,0.927684962749481,-0.0129569862037897,0.0,8.90909099578857,0.851455628871918,0.0,5.5,0.124002821743488
InChI%3D1S%2FC9H13N%2Fc1-6-4-8%283%299%2810%295-7%286%292%2Fh4-5H%2C10H2%2C1-3H3,2.15380668640137,0.0,0.333333343267441,0.516346037387848,3.30192732810974,0.0,80.0,5.65685415267944,1.01162731647491,26.0200004577637,0.0189050417393446,10.3599882125854,0.131445854902267,0.882540822029114,5.42161178588867,1.88237142562866,0.0,-0.00777870789170265,10.1661853790283,0.509381771087646,1.17420744895935,0.0,14.3323707580566,0.982852399349213,-0.00169519090559334,0.0745281279087067,0.000671955232974142,13.498556137085,439.010009765625,0.630813658237457,0.0,6.33237028121948,0.942809045314789,0.0,0.205973982810974,0.0014538960531354,0.0,2.93877553939819,0.333333343267441,0.0,1.75,0.222222223877907
InChI%3D1S%2FCCl2F2%2Fc2-1%283%2C4%295,0.0,0.0,0.0,0.647939085960388,0.0,0.0,12.0,0.0,0.0,0.0,0.274052321910858,23.4295959472656,0.0,0.0,0.0,0.0,0.0,-0.213030725717545,9.06704521179199,0.604462027549744,0.0,0.0,29.8908538818359,0.0,0.0760045647621155,0.0,0.0,0.0,4.03999996185303,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,,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,4.19486522674561,0.0,14.0052347183228,0.821686208248138,3.5395290851593,0.0,333.0,18.0313930511475,1.76092565059662,,0.293274015188217,38.9199523925781,0.213764876127243,2.47250819206238,0.0,4.08555698394775,0.0,-0.160541728138924,28.9003086090088,0.619110703468323,3.08598327636719,0.0,43.4955825805664,2.80778479576111,0.104362353682518,0.100394360721111,-0.178412735462189,50.4159812927246,834.049987792969,1.93493592739105,0.0,51.8389778137207,1.52712869644165,0.0,1.02913534641266,0.157623410224915,0.0,7.2664361000061,0.688258171081543,1.0,3.44047069549561,0.301031023263931
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%2C1-2H3,3.78752446174622,0.0,5.51854038238525,1.33302557468414,1.31037068367004,0.0,214.0,7.22055578231812,1.69994032382965,,0.305003017187119,25.6216793060303,0.190184742212296,1.79290997982025,1.53261888027191,3.02722191810608,0.333333343267441,-0.0886966586112976,20.5017585754395,0.828393161296844,1.7035984992981,0.0,31.2838649749756,1.79151511192322,-0.0664209350943565,0.176137447357178,-0.0134287076070905,32.6190643310547,721.039978027344,1.13378620147705,0.0,19.72265625,1.78617906570435,1.0,0.570277631282806,0.0121469367295504,0.0833333358168602,4.7039999961853,0.603553414344788,0.0,2.6514048576355,0.603056311607361
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%29,5.76719188690186,0.0,6.56171941757202,1.22196161746979,13.5745048522949,0.94494080543518,534.0,23.052490234375,2.77030611038208,,0.658609807491302,30.9054145812988,0.324476182460785,3.90453624725342,1.60201346874237,6.15674209594727,0.0,-0.23750464618206,33.0737266540527,0.84223347902298,4.88445854187012,0.0,49.426815032959,4.78015518188477,-0.124323338270187,0.755220532417297,-0.154291987419128,52.0220603942871,2054.07006835938,3.37702131271362,0.0,52.8895721435547,2.31368446350098,2.0,2.20120310783386,0.286051571369171,0.19245009124279,6.51878690719604,0.810043215751648,1.0,2.9512140750885,1.42468857765198
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%2C1-2H3,2.97240233421326,0.0,14.4383573532104,0.534113764762878,2.94168281555176,0.0,314.0,14.3306255340576,1.39080572128296,,0.121351160109043,19.7199764251709,0.166297644376755,1.92098355293274,2.74635624885559,3.7508020401001,0.0,-0.0363325290381908,22.0247287750244,0.903376519680023,2.28311467170715,0.0,30.3294811248779,2.5759642124176,-0.0586581453680992,0.181379377841949,0.0335275791585445,29.9971122741699,1179.02001953125,1.72290027141571,0.0,26.3294811248779,0.990399062633514,0.0,0.924260079860687,0.00127324962522835,0.078567422926426,6.18549346923828,0.40432870388031,0.0,2.88000011444092,0.532351434230804
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%2C1H3,2.64976906776428,0.0,1.96925938129425,0.310001134872437,5.08567523956299,1.43247032165527,202.0,7.43653535842896,0.530334234237671,86.9899978637695,0.463748753070831,18.8723449707031,0.0427564010024071,0.55855268239975,0.831968307495117,1.74266445636749,0.961124539375305,-0.204763993620872,16.9925518035889,0.78443706035614,0.594223082065582,0.0,23.7632961273193,1.00013327598572,0.0160555709153414,0.0383675172924995,0.0289557874202728,26.5340423583984,519.049987792969,0.605089843273163,0.0,20.0953884124756,1.06622350215912,1.0,0.284876465797424,-0.219823092222214,0.0,5.91499996185303,0.3900166451931,3.0,3.5,0.198741674423218
InChI%3D1S%2FC8H10NO5PS%2Fc1-12-15%2816%2C13-2%2914-8-5-3-7%284-6-8%299%2810%2911%2Fh3-6H%2C1-2H3,3.17546796798706,1.5,3.30192732810974,1.09271574020386,0.333333343267441,0.5,220.0,5.65685415267944,1.95733618736267,103.730003356934,0.471293717622757,32.0105018615723,0.0124225998297334,1.89544641971588,0.755928933620453,4.15885210037231,0.825481832027435,-0.375673890113831,31.4600963592529,0.958217203617096,1.34018862247467,0.0,39.1643333435059,1.84313929080963,0.346277505159378,0.0237628296017647,-0.249108284711838,34.4845085144043,436.079986572266,1.06243455410004,1.0,26.6522636413574,1.63090085983276,2.0,0.536446928977966,0.012201658450067,0.0,6.07438039779663,0.16666667163372,0.0,4.07679986953735,0.107038088142872
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%2C1-2H3,4.80073833465576,0.608220219612122,4.55375957489014,0.728827059268951,5.04042720794678,0.0,592.0,12.6744508743286,1.1477210521698,,0.934381783008575,40.6767501831055,0.0852368548512459,1.19445610046387,2.70717000961304,3.28975582122803,0.825481832027435,-0.534161746501923,32.3541069030762,0.855869352817535,1.2579607963562,0.0,51.8040962219238,1.97649586200714,0.020424934104085,0.0607335232198238,0.105499461293221,52.85302734375,921.090026855469,1.22076666355133,0.0,43.4594535827637,2.7923846244812,1.0,0.569334506988525,-0.0931133553385735,0.0,9.27392292022705,0.717530488967896,0.0,6.28231477737427,0.268025726079941
InChI%3D1S%2FC10H6Cl4O4%2Fc1-17-9%2815%293-5%2811%297%2813%294%2810%2816%2918-2%298%2814%296%283%2912%2Fh1-2H3,4.19927072525024,0.142857149243355,0.0,0.775280058383942,14.2036352157593,0.142857149243355,228.0,0.0,2.17047929763794,52.5999984741211,0.691639840602875,51.9488906860352,0.323284298181534,3.04640102386475,3.79042077064514,3.74773645401001,1.06904494762421,-0.367120206356049,27.7995014190674,0.683030724525452,4.23468828201294,0.0,44.4912033081055,2.35550689697266,0.249956741929054,0.0864933356642723,-0.36782830953598,75.1672744750977,270.079986572266,1.4594361782074,0.0,89.1520309448242,1.46342706680298,2.0,0.593032777309418,-0.00243185204453766,0.0,6.43787002563477,0.635957181453705,0.0,2.96296286582947,0.190914839506149
InChI%3D1S%2FC8H11NO2%2Fc9-5-8%2811%296-1-3-7%2810%294-2-6%2Fh1-4%2C8%2C10-11H%2C5%2C9H2,1.49750399589539,0.0,4.25141477584839,0.262047737836838,1.31037068367004,0.16666667163372,113.0,8.42163562774658,0.466365814208984,66.4800033569336,0.177816107869148,12.9089260101318,0.0304290316998959,0.444766581058502,0.0,1.50112199783325,0.0,-0.0483549349009991,11.8303689956665,0.874161958694458,0.391290724277496,0.0,15.494553565979,0.832553684711456,-0.0663744285702705,0.0284601077437401,0.0383387245237827,15.0480194091797,374.029998779297,0.497930467128754,0.0,9.32864665985107,0.6910440325737,0.0,0.210006877779961,0.0194758679717779,0.0,4.13265323638916,0.117851130664349,2.0,2.5,0.131445854902267
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%2C10-11H2,1.52501964569092,0.333333343267441,15.2205934524536,0.332278817892075,2.70160007476807,0.0,264.0,15.0520544052124,0.569417059421539,,0.332214176654816,18.5489387512207,0.0410666055977345,0.771231472492218,0.0,2.63228487968445,0.0,-0.145065814256668,20.3283672332764,0.584869921207428,0.882834792137146,0.0,23.3283672332764,1.72765398025513,-0.0858616009354591,0.067183643579483,0.0801350101828575,24.1028366088867,817.02001953125,1.16826987266541,0.0,21.3283672332764,0.673540234565735,0.0,0.582435548305511,-0.00727491872385144,0.0,5.76000022888184,0.136082768440247,0.0,3.26326751708984,0.273001730442047
InChI%3D1S%2FC7H8N2O2%2Fc1-5-2-3-6%289%2810%2911%294-7%285%298%2Fh2-4H%2C8H2%2C1H3,2.12630128860474,0.0,1.65096366405487,0.33947429060936,1.65096366405487,0.5,99.0,5.85380077362061,0.607304692268372,60.1599998474121,0.0742227435112,13.2689142227173,0.0605351217091084,0.487679213285446,1.5,1.47363948822021,0.0,-0.00237060966901481,12.439302444458,0.525822341442108,0.521502315998077,0.0,17.1033935546875,0.74143785238266,-0.00794222764670849,0.0487034358084202,-0.027372021228075,16.159294128418,251.039993286133,0.479971617460251,0.0,10.0207262039185,0.971404492855072,2.0,0.19537553191185,-0.0208770800381899,0.0,3.59999990463257,0.333333343267441,0.0,2.21453285217285,0.175366476178169
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%2C1-2H3,3.61860227584839,0.721124768257141,3.45315456390381,2.61967253684998,2.80396580696106,0.0,366.0,7.79088926315308,4.10390710830688,,0.636767864227295,50.0765380859375,0.0512124449014664,5.87103366851807,1.01104032993317,8.13221454620361,0.721124768257141,-0.528520226478577,44.4209365844727,0.773522734642029,5.09421539306641,1.0,62.4234161376953,6.14553833007812,0.441799938678741,0.125403538346291,-0.365675359964371,55.4103469848633,949.090026855469,3.69557547569275,1.0,56.2199554443359,1.88998627662659,1.0,2.51648759841919,0.293337136507034,0.078567422926426,7.51300716400146,0.219821989536285,0.0,4.26035499572754,0.550597846508026
InChI%3D1S%2FC8H8O3%2Fc1-11-8%2810%296-2-4-7%289%295-3-6%2Fh2-5%2C9H%2C1H3,1.49750399589539,0.0,3.30192732810974,0.199535593390465,1.31037068367004,0.16666667163372,113.0,7.06555128097534,0.340111911296844,46.5299987792969,0.335326611995697,13.3234071731567,0.0138888889923692,0.332247048616409,0.908560276031494,1.28840231895447,0.577350258827209,-0.215966641902924,12.3283681869507,0.926553547382355,0.298439592123032,0.0,16.1028366088867,0.715364038944244,0.0962759256362915,0.0263114888221025,-0.022533169016242,15.3246440887451,251.029998779297,0.431162893772125,0.0,9.66045951843262,0.6910440325737,1.0,0.156356409192085,-0.00159477663692087,0.0,4.13265323638916,0.117851130664349,1.0,2.5,0.131445854902267
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%29,3.07492995262146,0.825481832027435,3.81983685493469,1.75362348556519,3.41702961921692,0.0,336.0,7.22433853149414,2.24464058876038,98.6900024414062,0.571277439594269,37.2360305786133,0.0290384758263826,4.13768196105957,5.73078727722168,5.10747289657593,0.825481832027435,-0.418965280056,36.5895004272461,0.856311082839966,3.68111062049866,0.0,47.2756652832031,4.45813608169556,0.287029683589935,0.0252291187644005,-0.253193527460098,47.2210273742676,1654.06994628906,1.91632831096649,1.0,54.7822265625,2.28172492980957,1.0,1.23023462295532,0.173102453351021,0.0,9.33333301544189,0.164266422390938,0.0,6.97887992858887,0.107038088142872
InChI%3D1S%2FC11H18N4O2%2Fc1-7-8%282%2912-10%2814%283%294%2913-9%287%2917-11%2816%2915%285%296%2Fh1-6H3,3.73761868476868,0.0,0.0,0.811649680137634,4.61053943634033,0.0,209.0,0.0,1.23545789718628,,0.538541257381439,19.9888896942139,0.160712629556656,0.925720572471619,8.7578649520874,2.28188681602478,0.5,-0.533352255821228,19.6581287384033,0.781006157398224,1.13728260993958,0.0,28.3454780578613,1.06164133548737,0.569532632827759,0.0356932729482651,-0.482667744159698,29.6509590148926,953.059997558594,0.74420577287674,0.0,23.3493118286133,1.66385459899902,1.0,0.418345719575882,0.33500662446022,0.0,6.25,0.63467675447464,0.0,4.0,0.182469829916954
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%2C1H3,2.53502583503723,0.25,28.676248550415,0.434377789497375,4.32963848114014,1.18558597564697,1119.0,9.97117710113525,0.792209148406982,,0.743053436279297,34.6468124389648,0.0723477751016617,0.89466255903244,0.244005858898163,5.9690318107605,2.21305155754089,-0.245461076498032,32.6567344665527,0.699552178382874,0.784355700016022,0.0,39.7595710754395,3.95050001144409,-0.271552234888077,0.0768247172236443,0.193350970745087,40.8611717224121,4906.06005859375,2.46282744407654,0.0,34.5377655029297,1.08861255645752,1.0,1.52827513217926,-0.0558077432215214,0.096225045621395,18.5599994659424,0.310875236988068,3.0,13.9171600341797,0.302175432443619
InChI%3D1S%2FC5H7N3O2%2Fc1-4-6-3-5%287%284%292%298%289%2910%2Fh3H%2C1-2H3,2.12537145614624,0.0,0.0,0.306806236505508,0.5,0.5,75.0,1.41421353816986,0.681834280490875,63.6399993896484,0.240893259644508,12.6289024353027,0.0884900167584419,0.65086829662323,2.14913988113403,1.38297247886658,0.0,-0.136895745992661,12.1040439605713,0.837854206562042,0.472391486167908,0.0,16.9895553588867,0.65975022315979,-0.0305178519338369,0.0652283281087875,0.0779091194272041,14.62965965271,234.050003051758,0.252809941768646,0.0,9.60148525238037,0.897568464279175,2.0,0.0864295363426208,-0.0146015724167228,0.096225045621395,2.93877553939819,0.350732952356339,0.0,1.55017304420471,0.318447262048721
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%29,3.13647961616516,0.0,0.0,0.86154294013977,4.94145393371582,0.25,142.0,1.76976454257965,2.21879625320435,52.5699996948242,0.38096958398819,59.5270042419434,0.310364365577698,2.41852307319641,4.97323322296143,3.85517859458923,0.0,-0.254723221063614,21.1477851867676,0.750127851963043,3.20628142356873,0.0,34.4887542724609,1.92071497440338,0.146929457783699,0.0946034938097,-0.106204174458981,52.6884498596191,779.049987792969,1.31177186965942,0.0,34.456485748291,1.20311808586121,1.0,0.671682357788086,0.000318187871016562,0.0,4.67999982833862,0.468478739261627,1.0,2.34319519996643,0.207632824778557
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%2C1-2H3,6.02672100067139,0.200000002980232,12.5511426925659,8.88493728637695,8.14021778106689,0.0,736.0,16.7375469207764,13.1485500335693,59.3199996948242,0.624286234378815,205.715759277344,4.09521913528442,14.1789312362671,3.86416602134705,9.6961727142334,0.534522473812103,-0.28435018658638,56.4373474121094,0.801273822784424,19.6157245635986,0.0,206.635040283203,5.17225170135498,-0.0436582155525684,2.62538146972656,0.150785148143768,207.410308837891,1731.07995605469,4.03642845153809,0.0,100.689826965332,3.61310958862305,1.0,1.77733945846558,-0.242783635854721,0.440455734729767,9.86805534362793,0.89193731546402,0.0,5.88000011444092,1.82885372638702
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%29,1.95003366470337,0.0,5.35114765167236,0.463307350873947,0.793700516223907,0.5,273.0,7.33870029449463,0.730402410030365,,0.336277455091476,28.0616321563721,0.025000000372529,0.86939126253128,0.0,2.50796556472778,0.0,-0.253738969564438,22.748140335083,0.751439154148102,0.892299115657806,0.0,32.3524856567383,1.65632140636444,0.141891732811928,0.0861476957798004,-0.153930246829987,26.6171169281006,512.080017089844,1.06995296478271,0.0,23.5227012634277,1.23438096046448,2.0,0.524088442325592,0.237328395247459,0.117851130664349,6.25,0.0833333358168602,0.0,4.0,0.297409504652023
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,17.9416656494141,0.0,0.0,5.49936676025391,0.0,0.0,218.0,0.0,21.6349868774414,0.0,0.537679433822632,105.840286254883,7.32742929458618,46.4662895202637,0.0,15.9948968887329,0.0,0.0640422403812408,46.4691123962402,0.681740701198578,95.3409118652344,0.0,125.025894165039,14.6378126144409,-0.113140396773815,12.4850835800171,-0.516125321388245,277.422973632812,256.109985351562,13.1021499633789,0.0,257.476348876953,4.779700756073,0.0,10.4271688461304,0.098790593445301,0.875347077846527,2.22222232818604,5.76606512069702,0.0,0.473372787237167,10.5035638809204
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%2C1-2H3,2.63327765464783,1.5,7.14792346954346,1.1253889799118,0.333333343267441,0.0,352.0,5.09195375442505,1.77220225334167,,0.564009070396423,35.1815376281738,0.0263523142784834,2.76216554641724,0.63245552778244,5.09321546554565,0.0,-0.52638852596283,36.3778915405273,0.935493528842926,2.30330276489258,0.0,46.0511436462402,3.88431334495544,0.47345107793808,0.0750136449933052,-0.378824293613434,41.8908805847168,1301.07995605469,1.76038193702698,1.0,42.8579940795898,1.46423423290253,0.0,1.07954955101013,0.213353931903839,0.117851130664349,7.85204076766968,0.0833333358168602,0.0,4.76470565795898,0.244929805397987
InChI%3D1S%2FC8Cl4N2%2Fc9-5-3%281-13%296%2810%298%2812%297%2811%294%285%292-14,3.33378648757935,0.0,0.25,0.691946685314178,9.1254653930664,0.0,132.0,5.24148273468018,1.95765221118927,47.5800018310547,0.327585756778717,45.5709915161133,0.302450954914093,2.62753510475159,0.0,3.1923041343689,0.0,-0.0217668302357197,22.1393203735352,0.572879195213318,3.17249298095703,0.0,35.9462699890137,1.89992594718933,-0.0224696286022663,0.0864933356642723,-0.168950691819191,64.5110931396484,14.0600004196167,0.88941341638565,0.0,65.2825164794922,1.04196584224701,0.0,0.434356480836868,0.0194336883723736,0.0,4.67999982833862,0.536491930484772,0.0,2.02040815353394,0.200526431202888
InChI%3D1S%2FC9H18N2O2S%2Fc1-9%282%2C3%297%286-14-5%2911-13-8%2812%2910-4%2Fh6H2%2C1-5H3%2C%28H%2C10%2C12%29,2.35468101501465,0.0,0.0,1.36988174915314,0.333333343267441,0.0,159.0,1.0,1.29109275341034,79.4800033569336,0.290184408426285,22.3966674804688,0.237170830368996,1.64220476150513,2.98176050186157,2.13768196105957,0.5,-0.211660414934158,18.0557765960693,0.803482115268707,1.80019319057465,1.0,21.3818340301514,1.41240847110748,0.0710713490843773,0.0,0.0193056203424931,22.5236263275146,779.049987792969,0.90626209974289,0.0,23.3926792144775,1.7990380525589,0.0,0.160761013627052,0.00876501575112343,0.0,6.47750854492188,0.433012694120407,1.0,6.1875,0.0
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%2C1H3,3.96077990531921,0.0,14.3924131393433,2.43861675262451,1.53261888027191,0.0,357.0,14.4207906723022,5.42511558532715,,0.293895304203033,30.5519638061523,0.780330061912537,7.63005495071411,1.26491105556488,8.42952251434326,0.0,-0.158580452203751,31.7079105377197,0.721796274185181,8.89351177215576,0.0,44.6260566711426,6.38297939300537,0.000962500867899507,0.163624063134193,0.0097903711721301,44.4106216430664,1387.06005859375,4.49433612823486,0.0,40.0688934326172,1.76291561126709,0.0,3.16883969306946,0.0326140969991684,0.144337564706802,7.2664361000061,0.488641947507858,0.0,3.92561984062195,0.301031023263931
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%2C1H2,9.36445236206055,0.0,0.0,2.99182367324829,7.24288654327393,0.0,192.0,3.14734530448914,10.2446041107178,0.0,0.342368513345718,79.7020263671875,2.90385413169861,17.654426574707,0.0,9.79196166992188,0.0,-0.0140093760564923,35.613899230957,0.660622954368591,29.7396392822266,0.0,79.8440246582031,7.46047782897949,-0.11138341575861,2.47151970863342,-0.0686454325914383,159.398941040039,370.079986572266,5.9508228302002,0.0,124.881561279297,2.80291223526001,0.0,4.23353624343872,-0.0426623672246933,0.161900758743286,3.17896270751953,2.54480147361755,0.0,0.998959422111511,2.45943522453308
InChI%3D1S%2FC9H4Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-4H,3.06982517242432,0.0,3.96540641784668,3.46349477767944,4.24264049530029,0.25,183.0,6.87156677246094,1.9916273355484,62.6800003051758,0.436678647994995,47.1749382019043,0.103087343275547,2.9832911491394,0.0,3.29388976097107,0.0,-0.261816471815109,27.6350154876709,0.824535429477692,3.666170835495,1.0,75.3890151977539,2.54415130615234,0.110318750143051,0.171335071325302,0.0260087978094816,42.1041107177734,201.070007324219,1.84061539173126,0.0,39.1493873596191,2.35380864143372,2.0,0.98825889825821,-0.228164657950401,0.0641500279307365,4.34911251068115,0.36982524394989,0.0,2.48828125,0.615596115589142
InChI%3D1S%2FC6H10O%2Fc7-6-4-2-1-3-5-6%2Fh1-5H2,0.40824830532074,0.0,6.08364343643188,0.102062076330185,0.0,0.0,45.0,3.04182171821594,0.144337564706802,17.0699996948242,0.119860500097275,7.77446889877319,0.0,0.153093114495277,0.0,1.4112309217453,0.0,-0.0240863692015409,7.33209180831909,0.321160882711411,0.144337564706802,0.0,8.66418361663818,0.946114242076874,-0.0319590643048286,0.0360843911767006,-0.00359773938544095,5.66418409347534,247.009994506836,0.632392168045044,0.0,1.33209192752838,0.288675129413605,1.0,0.0721687823534012,-0.000287080794805661,0.0,2.34375,0.0,0.0,1.5,0.102062076330185
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,4.19486522674561,0.0,14.0052347183228,0.695698022842407,3.5395290851593,0.0,333.0,18.0313930511475,1.61544716358185,,0.331310391426086,32.7092437744141,0.213764876127243,2.35777282714844,0.0,3.83358073234558,0.0,-0.172481164336205,27.5303554534912,0.71866762638092,2.92925190925598,0.0,40.7556800842285,2.68179655075073,0.098351038992405,0.0793963372707367,-0.173962950706482,47.6760749816895,834.049987792969,1.79920256137848,0.0,50.4690246582031,1.52712869644165,0.0,0.89597338438034,0.163497358560562,0.0,7.2664361000061,0.688258171081543,1.0,3.44047069549561,0.301031023263931
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%2C1H3,3.31335735321045,0.0,8.35640335083008,0.81125545501709,3.51675915718079,0.0,455.0,10.7220325469971,1.40104818344116,,0.550151169300079,48.767162322998,0.103894390165806,2.21787714958191,0.705183923244476,3.99408674240112,0.200000002980232,-0.374109864234924,32.1809692382812,0.845750093460083,2.13566446304321,0.0,47.1983489990234,3.08331823348999,0.164148956537247,0.101916909217834,-0.0434444472193718,53.1175231933594,1258.07995605469,1.4424055814743,0.0,67.4676971435547,1.42194581031799,1.0,0.88371878862381,-0.139303356409073,0.144337564706802,9.474609375,0.38490018248558,0.0,5.5,0.337396234273911
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%2C1-2H3,3.66347503662109,1.0626585483551,12.8536071777344,0.481433391571045,7.73351860046387,0.0,698.0,22.1577701568604,1.00851500034332,103.559997558594,0.930115342140198,34.9523086547852,0.0668821558356285,1.31220436096191,2.72532725334167,3.87170839309692,0.918299555778503,-0.572204411029816,35.8197555541992,0.839248418807983,1.41808581352234,0.0,47.7287712097168,2.53530478477478,0.297173351049423,0.0640665143728256,-0.53482460975647,52.6426734924316,1531.07995605469,1.62496542930603,0.0,54.3018379211426,1.41611611843109,1.0,0.768447875976562,0.445042312145233,0.0,12.8888893127441,0.303155303001404,0.0,6.99768590927124,0.34274035692215
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%2C1-3H3,4.34382247924805,0.0,4.30137777328491,2.02014660835266,3.87917613983154,0.0,318.0,11.1031303405762,2.17145109176636,,0.286580473184586,38.2799415588379,0.291222631931305,2.46755790710449,3.50282764434814,3.90527963638306,0.0,-0.148392304778099,27.4264812469482,0.853492021560669,2.84357643127441,0.0,42.0220375061035,2.54655718803406,-0.0119691276922822,0.100718222558498,0.024682080373168,42.4714469909668,1429.06005859375,1.54092633724213,0.0,45.2812843322754,2.52648544311523,0.0,0.964818298816681,-0.00077779171988368,0.144337564706802,7.05078125,0.753933906555176,1.0,4.48753452301025,0.291233360767365
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%29,3.29137468338013,0.0,0.0,0.58396053314209,8.09800910949707,0.5,119.0,0.0,1.38045263290405,,0.413994669914246,38.4071731567383,0.19560481607914,1.5317987203598,0.0,2.40994381904602,0.0,-0.145025447010994,20.017951965332,0.517884075641632,1.82233166694641,0.0,33.4705390930176,1.26207494735718,-0.121415629982948,0.0625963509082794,0.113941840827465,50.5102043151855,100.069999694824,0.694724321365356,0.0,40.6804885864258,1.28246867656708,1.0,0.287960469722748,-0.100691109895706,0.0,4.02216053009033,0.572955191135406,1.0,2.08333325386047,0.207632824778557
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%2C3-4H2,3.06982517242432,0.0,3.96540641784668,3.56898164749146,4.24264049530029,0.25,183.0,6.87156677246094,2.3341372013092,62.6800003051758,0.43500217795372,47.1749382019043,0.149249538779259,3.6075336933136,0.0,4.03246784210205,0.0,-0.228622242808342,27.6350154876709,0.787554740905762,4.68471479415894,1.0,75.3890151977539,3.24216198921204,0.0984530672430992,0.278502225875854,-0.0228299684822559,42.1041107177734,385.070007324219,2.48183035850525,0.0,39.1493873596191,2.35380864143372,2.0,1.46552443504333,-0.199142158031464,0.0641500279307365,4.34911251068115,0.36982524394989,0.0,2.48828125,0.615596115589142
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%2C1-6H3,5.83533191680908,0.0,4.71541213989258,1.78978300094604,8.03254318237305,0.100000001490116,372.0,15.7778415679932,3.18396806716919,40.4599990844727,0.110232055187225,24.5489387512207,0.543033123016357,3.48615097999573,11.8939819335938,4.74245452880859,0.0,-0.0408682525157928,24.6641845703125,0.505426228046417,3.88032364845276,0.0,37.328369140625,2.97808885574341,-0.00921308621764183,0.073350615799427,-0.00650922022759914,41.9925537109375,2198.02001953125,1.95373404026031,0.0,37.9925537109375,2.60959553718567,0.0,1.36320388317108,0.015094724483788,0.0,7.48611116409302,1.08662402629852,2.0,4.15879011154175,0.282691568136215
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%29,6.22369956970215,0.0,11.7611560821533,0.811091959476471,14.1615562438965,1.85661208629608,943.0,28.1874618530273,1.63616645336151,155.050003051758,0.542315006256104,43.2212219238281,0.12332459539175,2.03839635848999,1.7211811542511,5.14262294769287,0.686807036399841,-0.156027793884277,43.8993301391602,0.857674539089203,2.28320217132568,0.0,62.2516403198242,3.42178750038147,-0.0739272758364677,0.132100954651833,-0.0905019268393517,70.2455520629883,1876.11999511719,2.27375292778015,0.0,67.7951889038086,2.54052472114563,4.0,1.21420633792877,-0.0288224350661039,0.0,13.3752069473267,0.793623507022858,2.0,7.15856647491455,0.517360031604767
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%2C1H3,3.22963523864746,0.0,9.83856391906738,0.931535124778748,1.65096366405487,0.0,291.0,8.78538227081299,1.6217337846756,,0.297450453042984,37.2799415588379,0.128973498940468,2.57488942146301,0.482744693756104,4.1069598197937,0.0,-0.144292622804642,26.4264812469482,0.816309750080109,2.90368175506592,0.0,39.1879425048828,3.06139326095581,-0.0125471195206046,0.086346834897995,0.0031556102912873,39.9731712341309,1384.06005859375,1.8343311548233,0.0,51.3306350708008,1.64893853664398,0.0,1.2023104429245,0.00793385040014982,0.144337564706802,7.31985712051392,0.308925569057465,1.0,4.25,0.22113448381424
InChI%3D1S%2FC10H13ClO%2Fc1-10%282%2C3%297-4-5-9%2812%298%2811%296-7%2Fh4-6%2C12H%2C1-3H3,2.9506402015686,0.0,1.65096366405487,1.56154644489288,1.65096366405487,0.0,110.0,5.85380077362061,1.60304808616638,20.2299995422363,0.0887349471449852,20.4872226715088,0.292257726192474,1.46831023693085,2.63161587715149,2.11644005775452,0.0,-0.0199520103633404,14.2838296890259,0.790955007076263,1.72230970859528,0.0,22.5676593780518,1.15395152568817,-0.045547753572464,0.0500636547803879,0.0203751716762781,23.4996452331543,493.019989013672,0.84147435426712,0.0,14.2355670928955,1.98176753520966,0.0,0.353064090013504,0.00658525573089719,0.0,3.3950617313385,0.599679350852966,1.0,2.49307489395142,0.170103460550308
InChI%3D1S%2FC12H14O4%2Fc1-3-15-11%2813%299-7-5-6-8-10%289%2912%2814%2916-4-2%2Fh5-8H%2C3-4H2%2C1-2H3,1.94548285007477,0.200000002980232,4.75757694244385,0.227670907974243,3.96540641784668,0.200000002980232,210.0,9.16719913482666,0.505391359329224,52.5999984741211,0.545748293399811,19.0978755950928,0.0448895953595638,0.676681220531464,1.83659911155701,1.91775572299957,1.26491105556488,-0.363224506378174,17.9925518035889,0.73504251241684,0.716039001941681,,23.5414905548096,1.25680637359619,0.191436752676964,0.0277777779847383,-0.029384208843112,25.3209190368652,660.039978027344,0.739975929260254,,26.6492881774902,0.743570029735565,,0.347360581159592,-0.327122509479523,0.0,7.34999990463257,0.248005643486977,,4.07679986953735,0.096225045621395
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%29,2.33358860015869,0.0,0.908560276031494,0.614465534687042,3.87917613983154,0.5,168.0,7.42111539840698,1.16525530815125,46.5299987792969,0.462374329566956,39.4616661071777,0.145718693733215,1.13314759731293,0.0,2.34347581863403,0.666666686534882,-0.165841609239578,21.1835803985596,0.725341320037842,1.51129293441772,0.0,33.1453514099121,1.34579718112946,-0.205116018652916,0.0793735086917877,0.18231463432312,42.568286895752,179.059997558594,0.911625981330872,0.0,32.4479637145996,1.28202176094055,1.0,0.406637728214264,-0.00785452965646982,0.0,5.18559551239014,0.284517794847488,1.0,3.59183669090271,0.205950379371643
InChI%3D1S%2FC5H13ClN%2Fc1-7%282%2C3%295-4-6%2Fh4-5H2%2C1-3H3,0.75,0.0,1.0,2.20710682868958,0.0,0.0,38.0,0.0,1.06066012382507,0.0,0.164992839097977,15.0727415084839,0.0,1.55622899532318,0.0,1.46155202388763,0.0,-0.106648869812489,8.6164779663086,0.60404109954834,0.400891870260239,0.0,10.1179227828979,1.20267558097839,-0.0220172274857759,0.0,0.0825010687112808,6.44227266311646,319.019989013672,0.0,0.0,8.85521221160889,1.56066012382507,0.0,0.0,-0.0363313965499401,0.0,2.34375,0.0,0.0,6.0,0.0
InChI%3D1S%2FC9H9ClO3%2Fc1-6%289%2811%2912%2913-8-4-2-3-7%2810%295-8%2Fh2-6H%2C1H3%2C%28H%2C11%2C12%29,1.92735350131989,0.0,3.53277564048767,0.427579373121262,2.40685200691223,0.5,144.0,6.28519821166992,0.550152063369751,46.5299987792969,0.38379779458046,23.0361614227295,0.0215165745466948,0.541674971580505,1.70914804935455,1.6918066740036,0.666666686534882,-0.153553768992424,16.2801055908203,0.775847613811493,0.525110840797424,0.0,23.6704959869385,0.975118100643158,-0.150664940476418,0.0428372696042061,0.123567394912243,21.7807807922363,328.040008544922,0.564120888710022,0.0,16.8799991607666,1.0618349313736,1.0,0.28332856297493,0.0386367365717888,0.0,5.02422142028809,0.235702261328697,1.0,3.70370364189148,0.142258897423744
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%29,2.73729491233826,0.333333343267441,3.14734530448914,1.09919619560242,3.14734530448914,0.0,208.0,6.85405731201172,1.08976674079895,51.0499992370605,0.422109037637711,18.6833953857422,0.0328614637255669,1.63325119018555,3.10280632972717,2.44751119613647,0.63245552778244,-0.309886932373047,18.9928302764893,0.611912786960602,1.84952402114868,,29.2060451507568,1.81172013282776,0.124199606478214,0.190714806318283,0.0409429334104061,25.2652988433838,784.039978027344,1.22671377658844,,21.6570148468018,1.96519804000854,,0.60541707277298,-0.165384143590927,0.0833333358168602,4.7039999961853,0.136082768440247,,2.83111119270325,0.58547580242157
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%2C1-2H3,2.47874140739441,0.0,13.9952611923218,0.540930271148682,4.24264049530029,0.0,231.0,14.2708406448364,1.02157700061798,20.3099994659424,0.207722350955009,19.1344566345215,0.113993309438229,1.30304384231567,2.55577230453491,2.95353531837463,0.0,-0.12873138487339,19.8306484222412,0.706077873706818,1.68163049221039,0.0,26.0517425537109,2.02678084373474,0.0487277060747147,0.0370370373129845,-0.024456487968564,27.660737991333,990.02001953125,1.42042076587677,0.0,27.9931087493896,0.970227897167206,1.0,0.662008166313171,0.00293182791210711,0.0,6.96320009231567,0.367711216211319,0.0,3.75,0.117851130664349
InChI%3D1S%2FC9H13N%2Fc1-8%2810%297-9-5-3-2-4-6-9%2Fh2-6%2C8H%2C7%2C10H2%2C1H3,0.642228543758392,0.0,7.73231601715088,0.353553384542465,0.5,0.0,92.0,5.63817358016968,0.321975260972977,26.0200004577637,0.0299612805247307,10.3599882125854,0.0,0.439826399087906,1.15470051765442,1.40050220489502,0.0,-0.00714539038017392,10.1661853790283,0.751647353172302,0.377862244844437,0.0,12.3323707580566,0.985878348350525,-0.0102679599076509,0.0226804614067078,0.0014676081482321,9.16618537902832,439.010009765625,0.564235091209412,0.0,7.33237028121948,0.61237245798111,0.0,0.214650183916092,0.000889695598743856,0.0,4.0,0.0,0.0,3.11111116409302,0.0721687823534012
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%2C1-8H3,4.92043304443359,0.0,19.1707859039307,1.89205646514893,3.01175236701965,0.0,1141.0,18.6885356903076,2.71184825897217,26.2999992370605,0.286501944065094,34.5489387512207,0.249318152666092,3.53364133834839,8.3827018737793,5.81564903259277,0.5,-0.205071851611137,33.9962768554688,0.735034584999084,3.44261074066162,0.0,44.4386520385742,3.73140048980713,0.116259053349495,0.158098042011261,-0.0611844472587109,45.6604614257812,4569.02001953125,1.98293280601501,0.0,38.6641845703125,2.74146008491516,1.0,1.41013729572296,0.00548312906175852,0.0,16.6316928863525,0.534517824649811,0.0,13.0375738143921,0.218443363904953
InChI%3D1S%2FC7H5NO3S%2Fc9-7-5-3-1-2-4-6%285%2912%2810%2C11%298-7%2Fh1-4H%2C%28H%2C8%2C9%29,2.80213809013367,0.0,3.96540641784668,0.542526960372925,2.38110160827637,0.94494080543518,105.0,5.55315780639648,1.03281950950623,71.620002746582,0.272041648626328,20.8111476898193,0.11712346971035,1.45228886604309,0.0,2.35721158981323,0.0,-0.165845021605492,22.3943252563477,0.843316614627838,1.43801152706146,0.0,28.7728691101074,1.71350407600403,0.149628207087517,0.182958841323853,-0.182315424084663,26.8850765228271,192.050003051758,0.994844377040863,0.0,17.5436458587646,1.54011297225952,2.0,0.430215120315552,0.0627093464136124,0.0680413842201233,2.75,0.428855359554291,1.0,1.33136093616486,0.684640526771545
InChI%3D1S%2FC8H6Cl2O3%2Fc1-13-7-5%2810%293-2-4%289%296%287%298%2811%2912%2Fh2-3H%2C1H3%2C%28H%2C11%2C12%29,2.37329196929932,0.0,1.0,0.486501425504684,6.08364343643188,0.5,107.0,4.74510288238525,0.953509449958801,46.5299987792969,0.414149522781372,30.7489147186279,0.0984921529889107,1.27276432514191,1.61098504066467,2.08938550949097,0.5,-0.179846987128258,18.2318420410156,0.775635361671448,1.48338282108307,0.0,27.9097862243652,1.39634561538696,0.0126771638169885,0.0661673992872238,-0.167819365859032,35.0153160095215,205.050003051758,0.856650769710541,0.0,37.8123054504395,1.05193173885345,1.0,0.244910433888435,0.161904260516167,0.0,4.48148155212402,0.331264495849609,1.0,2.26843094825745,0.182469829916954
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%2C1-2H3,2.68069767951965,0.0,8.3165111541748,0.628559231758118,7.13593721389771,0.25,403.0,16.4871616363525,1.58955371379852,,0.385847330093384,30.8111476898193,0.141514807939529,2.61138033866882,2.15865564346313,5.69771766662598,0.400000005960464,-0.0798235014081001,28.0554981231689,0.753053843975067,3.32676243782043,1.0,35.8306770324707,4.63077735900879,-0.050405390560627,0.170400381088257,-0.134456500411034,39.6610488891602,2038.05004882812,3.5913724899292,0.0,42.7083549499512,1.08251559734344,2.0,1.98993325233459,-0.0170368682593107,0.0,9.33333301544189,0.296023726463318,0.0,4.99671268463135,0.234186708927155
InChI%3D1S%2FC4H4N2O2%2Fc7-3-1-2-4%288%296-5-3%2Fh1-2H%2C%28H%2C5%2C7%29%28H%2C6%2C8%29,0.81649661064148,0.0,1.0,0.115470051765442,0.333333343267441,0.200000002980232,58.0,2.82842707633972,0.118306443095207,32.5900001525879,0.198094815015793,10.2689142227173,0.0,0.088967464864254,0.0,0.6363884806633,0.0,-0.0912953838706017,9.35654258728027,0.561708986759186,0.0860826075077057,0.0,12.4358568191528,0.31819424033165,-0.0210751444101334,0.01490711979568,0.0631899237632751,9.10348606109619,88.0400009155273,0.185819894075394,0.0,2.66418385505676,0.577350258827209,0.0,0.0298142395913601,-0.0779722630977631,0.0,2.51999998092651,0.0,2.0,1.79999995231628,0.16666667163372
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%2C1-4H3,2.73131132125854,0.0,3.24283146858215,1.18406677246094,3.30192732810974,0.0,223.0,9.20227718353271,1.29027354717255,,0.221784844994545,17.1344566345215,0.0625,2.10364699363708,4.5214262008667,2.76106548309326,0.0,-0.0921007469296455,17.9965553283691,0.798924922943115,2.38561940193176,0.0,26.8272018432617,2.21726036071777,-0.0378637462854385,0.108837112784386,0.0082508884370327,25.1627388000488,985.02001953125,1.34949052333832,0.0,21.9965553283691,1.94968259334564,0.0,0.802255868911743,-0.0330193378031254,0.0,4.7039999961853,0.164266422390938,0.0,2.83111119270325,0.347887694835663
InChI%3D1S%2FC14H7ClF3NO5.Na%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%3B%2Fh1-6H%2C%28H%2C20%2C21%29%3B%2Fq%3B%2B1%2Fp-1,,0.0,4.52188587188721,,6.48384094238281,1.62865054607391,-1539607552.0,14.4383792877197,,83.5,0.74937242269516,44.1150054931641,,,0.0,,0.730296730995178,-0.358416616916656,31.2985782623291,0.483642786741257,,0.0,51.6930084228516,,0.099127359688282,,0.020768828690052,52.8098297119141,361.109985351562,,0.0,49.9362373352051,,3.0,,-0.434852689504623,,9.27392292022705,,0.0,6.0,
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%2C1H3,4.44852209091187,0.0,3.92513632774353,0.707448959350586,3.92513632774353,0.0,317.0,8.69380855560303,1.52401638031006,,0.594916343688965,34.0733184814453,0.168842926621437,1.81097424030304,1.22089838981628,3.57219219207764,0.0,-0.272082686424255,26.2200984954834,0.729749619960785,1.92012345790863,0.0,43.5361862182617,2.26736545562744,-0.108447074890137,0.0933028012514114,0.0903846770524979,48.9999122619629,776.080017089844,1.37162125110626,0.0,40.5771141052246,2.36467933654785,1.0,0.754760503768921,-0.00165700307115912,0.0,6.40582704544067,0.786957681179047,0.0,3.62130188941956,0.272249013185501
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%2C1H3,3.5301513671875,0.5,8.59684944152832,0.899398744106293,2.18224716186523,0.0,354.0,11.1509618759155,1.63130581378937,,0.54921168088913,40.0544090270996,0.100940354168415,2.62685322761536,0.689297556877136,4.4887170791626,0.0,-0.318835407495499,30.4227561950684,0.835591912269592,2.93938231468201,0.0,46.2907791137695,3.46676063537598,-0.0384028926491737,0.173508182168007,0.102309867739677,45.3567276000977,1563.06994628906,2.03283381462097,0.0,59.1927146911621,1.66026616096497,0.0,1.43963015079498,-0.000936301541514695,0.246399641036987,7.2664361000061,0.260110020637512,0.0,3.75308632850647,0.523883938789368
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%2C1-2H3,4.58840990066528,0.0,8.69190216064453,1.05220520496368,3.91424512863159,0.333333343267441,337.0,15.5898456573486,1.61715066432953,46.5299987792969,0.423472315073013,39.7489128112793,0.145252838730812,1.91883623600006,2.92173647880554,3.66609668731689,0.81649661064148,-0.185796201229095,28.2318420410156,0.689756155014038,2.21772146224976,0.0,43.906063079834,2.33588099479675,-0.103609539568424,0.0907718539237976,0.134018659591675,48.3447151184082,1059.05004882812,1.64509081840515,0.0,43.8848533630371,2.07462286949158,1.0,0.989488005638123,0.0234984494745731,0.0,7.71349859237671,0.733301997184753,1.0,4.30839014053345,0.25
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%2C1-3H3,2.43504238128662,0.0,6.41050004959106,0.403632521629333,3.30192732810974,0.0,199.0,11.7720756530762,1.07702970504761,29.5400009155273,0.433464467525482,27.6216793060303,0.088229551911354,1.65428960323334,3.27953839302063,3.13706588745117,0.25,-0.272866606712341,21.446569442749,0.687803566455841,2.10011291503906,,26.8893165588379,2.1685688495636,0.0924912318587303,0.0447789765894413,-0.09268007427454,35.5335540771484,1138.0400390625,1.4793416261673,,36.8369598388672,0.816229462623596,,0.801738023757935,0.0607315376400948,0.0,8.22684288024902,0.252697080373764,,3.99583768844604,0.135508760809898
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%2C1-2H3,5.82714796066284,0.0,1.79389321804047,1.73357236385345,3.78929138183594,0.25,226.0,8.43566703796387,3.17748928070068,,0.344547629356384,35.3344345092773,0.511588871479034,3.86199474334717,2.58640933036804,4.51534080505371,0.0,-0.163417145609856,25.0662136077881,0.814193427562714,4.3005895614624,0.0,41.242805480957,3.02415728569031,0.133929923176765,0.951298296451569,-0.233697444200516,42.958797454834,655.049987792969,1.74781429767609,0.0,43.4339790344238,2.44306230545044,2.0,1.05126416683197,0.173172414302826,0.487938940525055,3.76470589637756,1.09219539165497,0.0,1.59933364391327,2.47626256942749
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,8.76909351348877,0.0,1.0,2.70293641090393,5.08567523956299,0.0,166.0,4.47979211807251,9.21094512939453,0.0,0.302197933197021,70.9892730712891,2.69271945953369,16.0753898620605,0.0,8.60579872131348,0.0,-0.00938520021736622,32.6621627807617,0.636049687862396,26.106128692627,0.0,73.9405517578125,6.59653854370117,-0.0841009095311165,2.18948459625244,-0.153267174959183,144.78271484375,304.070007324219,4.82770586013794,0.0,118.978088378906,2.61046195030212,0.0,3.05369520187378,0.0142642995342612,0.179558381438255,2.93877553939819,2.42120456695557,0.0,0.900890529155731,2.36799788475037
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%29,2.51532387733459,0.0,1.65096366405487,0.582126975059509,3.87917613983154,0.5,168.0,6.58555555343628,0.849579513072968,46.5299987792969,0.414854943752289,31.7489147186279,0.0600924119353294,0.92309421300888,1.85053586959839,2.07590556144714,0.666666686534882,-0.15866807103157,19.2318420410156,0.788129925727844,1.03878808021545,0.0,29.5739707946777,1.26468169689178,-0.177628308534622,0.0643754005432129,0.185659170150757,31.6162414550781,302.049987792969,0.750403881072998,0.0,27.5642414093018,1.26007962226868,1.0,0.359954923391342,-0.0368339642882347,0.0,5.18559551239014,0.353553384542465,1.0,3.59183669090271,0.184195280075073
InChI%3D1S%2FC2H6N4S2%2Fc3-1%287%295-6-2%284%298%2Fh%28H3%2C3%2C5%2C7%29%28H3%2C4%2C6%2C8%29,0.577350258827209,0.0,0.0,0.335410207509995,0.333333343267441,0.0,56.0,0.0,0.167705103754997,149.360000610352,0.127752795815468,21.6954574584961,0.0,0.0838525518774986,0.0,0.522910177707672,0.0,-0.081574983894825,11.3642997741699,0.659779369831085,0.154426276683807,0.0,17.5062026977539,0.230205103754997,-0.00648657139390707,0.0,0.0625286996364594,9.94690418243408,113.059997558594,0.211977556347847,0.0,7.67194080352783,0.81649661064148,0.0,0.0,-0.0573898293077946,0.0,3.9375,0.0,0.0,7.19999980926514,0.0
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%2C1-14H3,15.0467081069946,4.57831048965454,7.85652256011963,3.93277454376221,0.0,2.57018876075745,2593.0,33.2530250549316,7.03544282913208,,2.41405749320984,79.5259628295898,0.69092470407486,10.2175445556641,35.9142837524414,14.0400400161743,7.85780143737793,-1.02771043777466,78.1329498291016,0.94813311100006,12.8930768966675,0.0,120.710205078125,10.3356018066406,-0.511655390262604,0.257648050785065,0.242509827017784,148.128128051758,18210.1796875,6.7848014831543,0.0,161.290588378906,7.14507865905762,3.0,4.0680136680603,0.259362131357193,0.0,25.0956726074219,2.01844692230225,5.0,14.5880489349365,0.620830178260803
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%2C1-2H3,2.04044008255005,0.142857149243355,4.98904466629028,0.231216385960579,2.40685200691223,0.142857149243355,336.0,9.0792064666748,0.430390179157257,,0.642045915126801,21.4578647613525,0.0246471762657166,0.451420277357101,1.29867160320282,2.08288264274597,1.06904494762421,-0.395910680294037,20.3249225616455,0.66638320684433,0.458333313465118,0.0,26.0400447845459,1.1821516752243,0.0619498901069164,0.0215165745466948,0.0142170591279864,27.7602214813232,919.049987792969,0.748760044574738,0.0,23.9298534393311,0.804737865924835,2.0,0.382964849472046,0.10186567902565,0.0,8.99173545837402,0.235702261328697,0.0,5.68047332763672,0.096225045621395
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%29,1.94976723194122,0.0,0.819827675819397,0.436728298664093,4.38093566894531,0.0,178.0,4.89979791641235,0.62560361623764,,0.36295560002327,16.1599273681641,0.0448895953595638,0.734743475914001,0.0,1.93553447723389,0.0,-0.150970920920372,16.4956665039062,0.869781076908112,0.678908050060272,0.0,20.9632377624512,1.18822312355042,0.119083762168884,0.0930871739983559,-0.367018163204193,21.6589641571045,547.059997558594,0.659703195095062,0.0,21.0708179473877,1.0157356262207,0.0,0.368951231241226,0.246673852205276,0.0,4.24489784240723,0.19245009124279,0.0,2.53439998626709,0.344829142093658
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%2C1-9H3,9.6259937286377,2.69164729118347,13.6295986175537,2.58977150917053,34.8324012756348,0.16666667163372,1859.0,47.6883773803711,6.30499792098999,,1.50054204463959,59.330207824707,0.661710023880005,10.1143884658813,21.8418560028076,14.7712125778198,1.70726346969604,-0.788875102996826,62.8120269775391,0.903955280780792,12.975754737854,0.0,92.1873321533203,12.1254825592041,-0.119252011179924,0.919857561588287,0.304907441139221,109.175727844238,13732.099609375,8.87255191802979,0.0,117.448631286621,3.81543040275574,2.0,6.41000366210938,-0.143466517329216,0.174792468547821,18.5077667236328,1.08385252952576,0.0,9.10374546051025,1.15940546989441
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%2C1-4H3,5.98103332519531,0.200000002980232,12.5511426925659,2.06621527671814,4.77054214477539,0.0,567.0,15.3599691390991,4.26772594451904,59.3199996948242,0.502260327339172,28.6833953857422,1.00335776805878,3.899409532547,4.86576175689697,5.60309886932373,0.534522473812103,-0.24014288187027,29.8266448974609,0.838621973991394,2.8157069683075,0.0,42.5973892211914,3.1741464138031,-0.0226655192673206,0.560620844364166,0.0870278626680374,42.3726615905762,1951.0400390625,1.51287472248077,0.0,40.4799346923828,2.71531772613525,1.0,0.737823605537415,-0.17551426589489,0.910683631896973,8.16326522827148,1.13627588748932,0.0,4.37950420379639,1.34208381175995
InChI%3D1S%2FC7H3Cl2N%2Fc8-6-2-1-3-7%289%295%286%294-10%2Fh1-3H,1.53953051567078,0.0,2.94168281555176,0.389826834201813,2.38110160827637,0.0,74.0,6.4474196434021,0.75816535949707,23.7900009155273,0.156838670372963,25.7854957580566,0.0818317085504532,0.971701979637146,0.0,1.7045065164566,0.0,-0.0218074358999729,14.0696601867676,0.661681890487671,0.813612163066864,0.0,20.9731349945068,1.08658933639526,-0.0151198050007224,0.0665826052427292,-0.108632676303387,25.0427951812744,79.0299987792969,0.433317959308624,0.0,24.8331432342529,0.607487261295319,0.0,0.216540738940239,0.0678894370794296,0.0,3.40828394889832,0.19245009124279,0.0,1.75,0.184195280075073
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%2C3H2,9.02845096588135,0.0,1.88988161087036,2.75688409805298,7.38313722610474,0.0,198.0,7.7707200050354,9.48432064056396,0.0,0.254131346940994,64.2765197753906,2.70829272270203,16.9049129486084,0.0,9.41585636138916,0.0,-0.00357348960824311,32.7104225158691,0.618587136268616,28.0790271759033,0.0,74.0370788574219,7.61427307128906,-0.103815689682961,2.54049110412598,-0.12751305103302,139.927490234375,535.059997558594,5.89081382751465,0.0,113.313598632812,2.68646693229675,0.0,4.16053533554077,0.0828616917133331,0.279751896858215,2.86127543449402,2.41360354423523,0.0,0.855424344539642,2.74808025360107
InChI%3D1S%2FC10H6N2OS2%2Fc1-5-2-3-6-7%284-5%2912-9-8%2811-6%2914-10%2813%2915-9%2Fh2-4H%2C1H3,2.43835973739624,0.0,1.65096366405487,0.875813603401184,5.77347040176392,0.0,203.0,7.05972480773926,1.4838535785675,,0.312437683343887,28.7499504089355,0.0916666686534882,2.09020113945007,1.62648916244507,4.03639268875122,0.0,-0.164254426956177,24.6759738922119,0.865489184856415,2.26133227348328,2.0,44.8041610717773,3.20356154441833,-0.00729036005213857,0.280443072319031,-0.105811543762684,31.5877819061279,319.049987792969,2.00973010063171,0.0,24.2846279144287,1.24401688575745,1.0,1.21293890476227,0.178751662373543,0.096225045621395,3.78559994697571,0.16666667163372,0.0,1.8512396812439,0.584163963794708
InChI%3D1S%2FCHBr2Cl%2Fc2-1%283%294%2Fh1H,0.0,0.0,0.0,2.5250928401947,0.0,0.0,9.0,0.0,0.0,0.0,0.113729648292065,98.2289352416992,0.0,0.0,0.0,0.0,0.0,-0.084744393825531,16.2570877075195,0.645112633705139,0.0,0.0,83.5319900512695,0.0,0.0278795715421438,0.0,0.0,0.0,4.03000020980835,0.0,0.0,0.0,0.577350258827209,0.0,0.0,0.0,0.0,1.33333337306976,0.0,0.0,,0.0
InChI%3D1S%2FC8H14ClN5%2Fc1-4-10-7-12-6%289%2913-8%2814-7%2911-5%282%293%2Fh5H%2C4H2%2C1-3H3%2C%28H2%2C10%2C11%2C12%2C13%2C14%29,1.30262875556946,0.0,0.0,0.533665716648102,2.38110160827637,0.0,166.0,1.07456994056702,0.485017627477646,,0.360783010721207,23.5126934051514,0.0,0.697168111801147,3.46729731559753,1.68543088436127,0.0,-0.337742358446121,17.6135902404785,0.955756723880768,0.655602872371674,0.0,25.9030170440674,1.23819923400879,0.359437346458435,0.0365953594446182,-0.39618182182312,21.7315120697021,718.059997558594,0.682373344898224,0.0,25.4038944244385,1.10517168045044,0.0,0.463609933853149,0.28693875670433,0.0,5.77777767181396,0.0,0.0,4.3878116607666,0.164266422390938
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%2C1-2H3,3.37696051597595,0.100000001490116,8.69190216064453,2.2430944442749,3.34162521362305,0.0,376.0,15.6241292953491,2.23351287841797,18.4599990844727,0.43133157491684,45.687198638916,0.326477825641632,3.58294439315796,1.8851683139801,3.88025116920471,0.0,-0.241818204522133,29.1835803985596,0.728869140148163,4.0894718170166,0.0,61.3218421936035,2.91906452178955,-0.00276222778484225,0.054755475372076,0.0342177674174309,45.0387916564941,949.049987792969,1.80698800086975,0.0,56.085033416748,2.20383214950562,0.0,0.958912312984467,0.0553606562316418,0.0,7.51300716400146,0.38490018248558,0.0,4.48753452301025,0.214076176285744
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%2C1H2,9.5228672027588,0.0,0.0,2.91401886940002,12.9486093521118,0.0,228.0,4.0,9.88798713684082,12.5299997329712,0.419459044933319,66.0509872436523,2.77244281768799,17.6573753356934,0.0,10.0797109603882,0.0,-0.074646882712841,35.3746070861816,0.670565843582153,29.6060199737549,0.0,76.7012634277344,8.34370040893555,-0.100369319319725,3.18710446357727,-0.0783612951636314,143.923767089844,619.070007324219,6.72481441497803,0.0,115.977783203125,2.89746475219727,0.0,5.05574607849121,0.0778457894921303,0.319035589694977,2.68698358535767,2.50705695152283,0.0,0.79778391122818,3.69101715087891
InChI%3D1S%2FC5H13ClN%2Fc1-7%282%2C3%295-4-6%2Fh4-5H2%2C1-3H3%2Fq%2B1,0.75,0.0,1.0,2.20710682868958,0.0,0.0,38.0,0.0,1.06066012382507,0.0,0.164992839097977,15.0727415084839,0.0,1.55622899532318,0.0,1.46155202388763,0.0,-0.106648869812489,8.6164779663086,0.60404109954834,0.400891870260239,0.0,10.1179227828979,1.20267558097839,-0.0220172274857759,0.0,0.0825010687112808,6.44227266311646,319.019989013672,0.0,0.0,8.85521221160889,1.56066012382507,0.0,0.0,-0.0363313965499401,0.0,2.34375,0.0,0.0,6.0,0.0
InChI%3D1S%2FC9H17NOS%2Fc1-2-12-9%2811%2910-7-5-3-4-6-8-10%2Fh2-8H2%2C1H3,1.02022004127502,0.0,8.68816184997559,0.223606795072556,0.0,0.0,130.0,2.55709981918335,0.577858865261078,,0.208221346139908,19.2622108459473,0.0559016987681389,0.825392305850983,0.333333343267441,2.9258987903595,0.0,-0.177005678415298,16.1702175140381,0.770615994930267,0.962945997714996,1.0,21.2254848480225,2.08011984825134,0.144118443131447,0.0,-0.0687424167990685,20.8344020843506,709.030029296875,1.43685436248779,0.0,14.5020313262939,0.402368932962418,1.0,0.983522832393646,-0.00669821258634329,0.0,5.61224508285522,0.117851130664349,0.0,3.515625,0.0
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%29,4.75842714309692,0.57235711812973,3.34538722038269,1.21936345100403,5.9316611289978,0.0,437.0,9.95123195648193,2.90659403800964,,0.602609217166901,27.8178520202637,0.237589150667191,3.50545406341553,5.83828783035278,5.20592308044434,0.75,-0.282973170280457,28.0445728302002,0.776298820972443,2.65460801124573,0.0,39.2625007629395,3.02591371536255,0.0534510537981987,0.113803200423717,-0.342015713453293,44.0101127624512,2257.06005859375,1.62491834163666,0.0,46.190746307373,1.83119428157806,1.0,0.915609657764435,0.544021427631378,0.117851130664349,9.08734703063965,0.46597146987915,0.0,4.60117721557617,0.367546856403351
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%2C1-3H3,2.55430054664612,0.0,5.75488233566284,0.999350070953369,6.38240623474121,0.25,489.0,13.1906394958496,1.61959934234619,80.6999969482422,0.419388145208359,39.5239028930664,0.0581814795732498,2.58987092971802,3.93523001670837,5.01460123062134,0.400000005960464,-0.0960025191307068,30.0072345733643,0.824467360973358,2.71071481704712,1.0,38.4522018432617,3.84466648101807,-0.0349220894277096,0.0730204954743385,-0.184261217713356,39.2750930786133,1895.06005859375,2.14187836647034,0.0,45.6403388977051,1.24198162555695,2.0,1.45473980903625,0.00995975360274315,0.0,11.5362663269043,0.212690398097038,0.0,7.18367338180542,0.182469829916954
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%2C2-4H3,3.5387556552887,0.965489387512207,10.4750785827637,1.65282416343689,2.10257887840271,0.0,519.0,12.3311290740967,1.88816690444946,63.9700012207031,0.485722661018372,33.2256278991699,0.277777791023254,2.16108584403992,2.88597559928894,4.49201726913452,1.10520946979523,-0.362083852291107,33.9975662231445,0.634081661701202,2.16405510902405,0.0,41.987621307373,3.08753371238708,0.186341911554337,0.0932705029845238,-0.0424199961125851,42.4368362426758,2049.05004882812,2.13424253463745,0.0,40.8866729736328,2.33649563789368,1.0,1.12639367580414,-0.119259305298328,0.0,9.62975788116455,0.516346037387848,0.0,6.68244552612305,0.218443363904953
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%2C1-3H3,4.31266307830811,1.85314404964447,2.67153358459473,1.42041003704071,7.13593721389771,0.0,385.0,8.54165935516357,2.48740100860596,,0.690035998821259,45.3632659912109,0.147585853934288,3.54669260978699,3.42695283889771,5.73694658279419,0.759835660457611,-0.507993102073669,40.1349906921387,0.853837668895721,3.33801746368408,0.0,55.0638046264648,4.12018251419067,0.295601844787598,0.0788334086537361,-0.150184988975525,61.4093551635742,1059.07995605469,1.95054578781128,1.0,52.1640510559082,2.05425262451172,1.0,1.23035418987274,0.0664825364947319,0.0,7.71349859237671,0.393802672624588,0.0,4.30839014053345,0.335741549730301
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%2C1-2H3,0.0,1.18558597564697,5.89623022079468,0.0,6.3105092048645,0.0,649.0,15.9666213989258,0.0,0.0,0.81884217262268,36.9450874328613,0.0,0.0,2.53746485710144,0.321428567171097,0.854574024677277,-0.504295825958252,32.2729339599609,0.948027074337006,0.0,0.0,47.5447273254395,0.0,0.0549070164561272,0.0,0.113902553915977,44.9360733032227,1336.06994628906,0.0,0.0,39.0352897644043,0.0,1.0,0.0,-0.0925586894154549,0.0,9.27392292022705,0.0,0.0,5.48960304260254,0.0
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%2C1-3H3,3.38791513442993,0.0,10.9025850296021,1.00248289108276,4.25141477584839,0.0,276.0,15.4046936035156,2.30971956253052,,0.172241374850273,26.847728729248,0.319504827260971,2.67976403236389,3.70326042175293,4.99063062667847,0.0,-0.105069108307362,26.3366813659668,0.820053517818451,3.764084815979,1.0,38.8424377441406,3.50111675262451,-0.0434490218758583,0.196149662137032,0.114865086972713,42.9835205078125,1384.03002929688,2.78763628005981,0.0,35.0064659118652,1.31061720848083,0.0,1.88708662986755,-0.0619923993945122,0.0,6.40582704544067,0.482896149158478,0.0,3.12244892120361,0.374451249837875
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%2C1-5H3,5.43442344665527,0.142857149243355,10.734148979187,0.98686808347702,21.5527992248535,0.0,698.0,33.7646026611328,2.23819994926453,,0.49361190199852,36.043384552002,0.221201434731483,3.29401206970215,10.6930046081543,6.05711126327515,0.534522473812103,-0.286703169345856,38.3251991271973,0.703407526016235,4.55084323883057,0.0,55.0962257385254,4.57508230209351,0.0766535773873329,0.174879387021065,-0.0742662027478218,64.3180313110352,3568.05004882812,3.44843506813049,0.0,67.7602233886719,2.02921557426453,1.0,2.15418767929077,0.14710733294487,0.0,11.8231449127197,0.659648358821869,0.0,5.55555534362793,0.583110213279724
InChI%3D1S%2FC10H15O3PS2%2Fc1-8-7-9%285-6-10%288%2916-4%2913-14%2815%2C11-2%2912-3%2Fh5-7H%2C1-4H3,3.1469931602478,1.5,1.65096366405487,1.30202662944794,1.65096366405487,0.0,216.0,5.85380077362061,2.65207195281982,94.8899993896484,0.433395177125931,36.2293281555176,0.102062076330185,2.82376384735107,3.31403422355652,5.3755087852478,0.0,-0.390625298023224,33.5265502929688,0.878511011600494,2.13525128364563,1.0,40.7328796386719,2.69900560379028,0.355043709278107,0.0633399710059166,-0.244541853666306,38.8331260681152,721.059997558594,1.41643667221069,1.0,28.1595859527588,1.53326976299286,0.0,0.955671787261963,0.0252142790704966,0.0,6.07438039779663,0.117851130664349,0.0,3.76923084259033,0.164266422390938
InChI%3D1S%2FC5H4O2%2Fc6-4-5-2-1-3-7-5%2Fh1-4H,0.492799282073975,0.0,3.30192732810974,0.0680413842201233,0.0,0.0,44.0,2.82842707633972,0.106345199048519,30.2099990844727,0.315179973840714,8.54893779754639,0.0,0.100116394460201,0.0,0.659336924552917,0.333333343267441,-0.123790875077248,7.99627590179443,,0.0185185186564922,0.0,9.32836818695068,0.358319312334061,-0.113162949681282,0.00925925932824612,0.13036136329174,5.10656118392944,79.0199966430664,0.084078885614872,0.0,2.66418385505676,0.20412415266037,1.0,0.0185185186564922,-0.0509975180029869,0.144337564706802,2.34375,0.0,0.0,1.1851851940155,0.102062076330185
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,9.21731758117676,0.0,0.0,2.86007118225098,10.3828754425049,0.0,197.0,0.0,9.6491298675537,,0.476218432188034,72.7637405395508,2.7668342590332,17.0198230743408,0.0,9.29954814910889,0.0,-0.0604964196681976,35.3263473510742,0.524101436138153,28.459321975708,0.0,76.604736328125,7.39456701278687,-0.0944367721676826,2.98768639564514,-0.0868241041898727,151.378875732422,370.079986572266,5.76122808456421,0.0,126.906349182129,2.81774926185608,0.0,3.93559432029724,-0.169190511107445,0.226050779223442,2.72000002861023,2.49078512191772,0.0,0.83044981956482,3.53014969825745
InChI%3D1S%2FC9H14O%2Fc1-7-4-8%2810%296-9%282%2C3%295-7%2Fh4H%2C5-6H2%2C1-3H3,1.60760700702667,0.0,1.5,1.49456429481506,0.5,0.0,70.0,4.1601676940918,1.14101088047028,17.0699996948242,0.124263778328896,10.7744693756104,0.0,2.11472511291504,2.40187382698059,1.81756365299225,0.0,-0.0354303121566772,10.3320922851562,0.639502584934235,1.65225005149841,0.0,15.6641836166382,1.66589295864105,-0.0288949124515057,0.122984565794468,0.0151210743933916,11.6641836166382,486.010009765625,0.580510377883911,0.0,10.3283681869507,1.78445708751678,1.0,0.415213376283646,-0.0129277408123016,0.0,2.55999994277954,0.0,0.0,2.28571438789368,0.235702261328697
InChI%3D1S%2FC7H9NO%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5H%2C8H2%2C1H3,0.901047587394714,0.0,3.30192732810974,0.164266422390938,0.333333343267441,0.0,77.0,5.65685415267944,0.257719904184341,35.25,0.165842816233635,10.1344566345215,0.0,0.228162154555321,0.63245552778244,1.11580193042755,0.0,-0.0894230082631111,9.8303689956665,0.796020925045013,0.194155588746071,0.0,11.9965543746948,0.603910386562347,0.00474289432168007,0.027377737686038,0.000949233944993466,9.99655437469482,252.020004272461,0.368831038475037,0.0,4.49827718734741,0.492799282073975,0.0,0.133322894573212,-0.0266120228916407,0.0,3.23966932296753,0.0,0.0,2.0,0.142258897423744
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%29,2.32490611076355,0.5,2.94168281555176,0.527374505996704,0.0,0.111111111938953,260.0,1.59054148197174,1.0506591796875,128.529998779297,0.619730472564697,37.3637847900391,0.0,1.03830122947693,0.550321221351624,4.6453914642334,0.942809045314789,-0.526826977729797,34.5287055969238,0.745686650276184,0.658185184001923,2.0,38.7902221679688,3.03185987472534,0.434124976396561,0.0,-0.296094715595245,33.8709602355957,849.080017089844,2.16668128967285,1.0,26.2208728790283,1.215451836586,1.0,1.51986491680145,0.043993778526783,0.0,9.0740737915039,0.0,1.0,7.86419773101807,0.0
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%29,9.18268394470215,0.0,0.0,2.14458537101746,9.47722816467285,1.77920365333557,1794.0,47.9925193786621,3.86987400054932,135.220001220703,0.655428171157837,67.9822845458984,0.376815944910049,4.62934112548828,5.55773210525513,9.73105144500732,0.0,-0.405217409133911,74.1736373901367,0.910286664962769,5.17037343978882,0.0,92.9803619384766,6.65281009674072,0.0900684148073196,0.170461356639862,0.00338905141688883,95.3260955810547,6959.10986328125,4.62295722961426,0.0,93.827537536621,5.20675182342529,4.0,2.68895220756531,0.018142132088542,0.0,18.5562133789062,1.36602544784546,2.0,11.2753019332886,0.489859610795975
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%29,1.95710682868958,0.0,1.0,0.78572165966034,1.0,1.44224953651428,96.0,2.14913988113403,0.600189387798309,110.430000305176,0.424832373857498,20.1082782745361,0.0215165745466948,0.415953755378723,0.447213590145111,1.44459998607635,0.0,-0.145805135369301,18.8585510253906,0.789213120937347,0.436566859483719,0.0,19.4526996612549,0.691696107387543,-0.0699492841959,0.0,0.0819326117634773,14.1803245544434,374.059997558594,0.470166146755219,1.0,11.9146118164062,2.12969565391541,2.0,0.153764322400093,-0.0518928803503513,0.0,4.13265323638916,0.235702261328697,2.0,6.40000009536743,0.0
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,10.9981689453125,0.0,0.0,3.49854326248169,15.1073951721191,0.0,218.0,0.0,12.5450944900513,,0.448498070240021,66.0509872436523,3.65404272079468,24.64528465271,0.0,11.8798761367798,0.0,-0.0744523406028748,36.3746070861816,,45.2098960876465,0.0,83.6529998779297,10.7377500534058,-0.0909023880958557,4.93665933609009,-0.083433449268341,157.730728149414,682.070007324219,9.60616397857666,0.0,121.165084838867,3.24059462547302,0.0,8.11858654022217,0.00487554026767612,0.332731068134308,2.16659736633301,2.95951294898987,0.0,0.556454539299011,5.06830549240112
InChI%3D1S%2FC9H7NO%2Fc11-8-5-1-3-7-4-2-6-10-9%287%298%2Fh1-6%2C11H,1.44017744064331,0.0,6.28816270828247,0.203784748911858,2.38110160827637,0.0,99.0,8.30252838134766,0.427669137716293,,0.139180034399033,12.1344566345215,0.0330676548182964,0.560443699359894,0.0,1.6114194393158,0.0,-0.0531811341643333,12.6644620895386,0.828343331813812,0.575951874256134,0.0,17.1627388000488,1.08810913562775,-0.05316162109375,0.0585863515734673,0.0537345707416534,16.7162055969238,251.020004272461,0.688445866107941,0.0,10.1624612808228,0.538451671600342,0.0,0.288767278194427,-0.0138701153919101,0.0,3.1640625,0.164266422390938,1.0,1.451247215271,0.27130451798439
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%2C1-5H3,3.76538276672363,0.333333343267441,9.3908166885376,1.64336168766022,3.14734530448914,0.0,551.0,8.84151935577393,1.98592889308929,,0.504750072956085,35.1711349487305,0.0785050094127655,2.76845836639404,3.66860318183899,5.25954675674438,0.63245552778244,-0.359530836343765,33.5521278381348,0.907467007637024,3.27676630020142,1.0,48.5775451660156,3.76683783531189,0.168061748147011,0.190714806318283,-0.08365797996521,48.7147789001465,2831.06005859375,2.75987672805786,0.0,44.4380416870117,2.35205149650574,1.0,1.45630633831024,0.001594407716766,0.0833333358168602,10.518627166748,0.302749425172806,0.0,6.84297513961792,0.58547580242157
InChI%3D1S%2FC19H30O5%2Fc1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18%2823-15-24-19%2912-16%2817%296-4-2%2Fh12-13H%2C3-11%2C14-15H2%2C1-2H3,1.79911375045776,1.78301441669464,14.9108333587646,0.321975260972977,3.30192732810974,0.0,644.0,11.9529457092285,0.736499011516571,46.1500015258789,0.837394177913666,27.8723449707031,0.0555555559694767,1.02304577827454,1.04504311084747,3.85796165466309,0.0,-0.519023835659027,28.3209190368652,0.788705110549927,1.18211340904236,0.0,34.0953903198242,2.53094530105591,-0.0902837142348289,0.0733043998479843,0.398305952548981,32.8735809326172,2473.05004882812,1.64000129699707,0.0,30.9851036071777,0.666666686534882,0.0,0.97466778755188,-0.283496201038361,0.117851130664349,12.3688888549805,0.16666667163372,0.0,7.42439746856689,0.312285453081131
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%2C2-6H3,4.51125478744507,0.0,1.44224953651428,1.81525766849518,9.35554885864258,0.16666667163372,413.0,9.47784423828125,2.7825973033905,43.3699989318848,0.401483088731766,24.3234062194824,0.311660498380661,3.17688488960266,10.9791650772095,4.78406667709351,0.70710676908493,-0.188872843980789,24.3283672332764,0.923892080783844,3.44731330871582,0.0,34.7670211791992,3.14935350418091,0.0511606745421886,0.700114965438843,-0.138853892683983,34.6530113220215,1939.03002929688,2.0194628238678,0.0,35.4274826049805,2.4996120929718,2.0,0.970782160758972,0.122402802109718,0.574761152267456,6.85714292526245,0.55313503742218,0.0,3.75308632850647,1.58842551708221
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%29,4.30562496185303,0.0,4.58965730667114,4.0584545135498,0.200000002980232,0.090909093618393,368.0,4.25379085540771,3.22429609298706,,0.807415962219238,71.2654113769531,0.50311952829361,4.90218544006348,0.0,4.21295833587646,0.0,-0.551313102245331,36.0364608764648,0.763940751552582,5.57879543304443,0.0,93.1433334350586,3.29059624671936,-0.0600395575165749,0.0577350258827209,0.464929014444351,64.3285522460938,834.119995117188,2.07146501541138,0.0,73.8994979858398,3.30108642578125,0.0,0.90849369764328,-0.301689743995667,0.0,8.203125,0.82495790719986,2.0,5.86419773101807,0.096225045621395
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%2C1-4H3,3.78741121292114,0.5,7.54321908950806,3.12832951545715,0.47247040271759,0.5,441.0,4.20838594436646,4.39034080505371,140.210006713867,0.473808616399765,50.4915390014648,0.0830857455730438,8.5475435256958,3.37373065948486,8.74738883972168,0.571428596973419,-0.322112530469894,51.0366020202637,0.689678966999054,7.79833030700684,1.0,64.7498016357422,7.94208669662476,0.221353486180305,0.0278125647455454,-0.109405919909477,57.0192337036133,1703.08996582031,4.06097221374512,1.0,61.1504821777344,2.93808770179749,2.0,2.92942762374878,-0.14921361207962,0.0,9.474609375,0.348461717367172,0.0,8.08080768585205,0.0510310381650925
InChI%3D1S%2FC2H2Cl2%2Fc1-2%283%294%2Fh1H2,0.0,0.0,0.0,0.454568654298782,0.0,0.0,9.0,0.0,0.0,0.0,0.0571735762059689,19.4255065917969,0.0,0.0,1.0,0.0,0.0,-0.0317894145846367,6.90347480773926,0.728919684886932,0.0,0.0,14.6162281036377,0.0,0.00320262531749904,0.0,0.0,0.0,13.0200004577637,0.0,0.0,0.0,0.577350258827209,0.0,0.0,0.0,0.0,1.33333337306976,0.0,0.0,,0.0
InChI%3D1S%2FC10Cl12%2Fc11-1-2%2812%297%2817%294%2814%293%2813%2C5%281%2C15%299%287%2C19%2920%296%281%2C16%2910%2821%2C22%298%282%2C4%2918,19.625,0.0,0.0,5.75434112548828,0.0,0.0,232.0,0.0,23.7589130401611,0.0,0.602841317653656,114.553039550781,8.13638210296631,53.3493461608887,0.0,17.2899150848389,0.0,0.102716021239758,49.4208488464355,0.577530384063721,110.983833312988,0.0,133.881103515625,15.9015398025513,-0.126361042261124,13.5892601013184,-0.694082379341125,318.319915771484,214.119995117188,13.7587175369263,0.0,321.417358398438,5.0,0.0,10.7297611236572,0.196705862879753,0.875,2.33333325386047,6.40625,0.0,0.478709995746613,11.3125
InChI%3D1S%2FC12H27OPS3%2Fc1-4-7-10-15-14%2813%2C16-11-8-5-2%2917-12-9-6-3%2Fh4-12H2%2C1-3H3,1.43566012382507,0.0,8.99300861358643,2.46598482131958,0.0,0.0,236.0,0.0,4.35928630828857,102.779998779297,0.161327794194221,41.8081436157227,0.0,6.61626863479614,0.0,8.5757703781128,0.0,-0.123489819467068,41.0994491577148,0.670413911342621,6.42212295532227,3.0,53.7983322143555,7.20456600189209,0.112704828381538,0.0,-0.0732213258743286,38.7608604431152,1577.05004882812,5.49900245666504,1.0,38.7608604431152,0.926776707172394,1.0,4.75669145584106,-0.00128925079479814,0.0,11.1111106872559,0.0,0.0,9.67901229858398,0.0
InChI%3D1S%2FC5H8O2%2Fc1-3-5%286%297-4-2%2Fh3H%2C1%2C4H2%2C2H3,0.492799282073975,0.0,0.333333343267441,0.0481125228106976,0.0,0.0,45.0,1.41421353816986,0.0680413842201233,26.2999992370605,0.272876739501953,8.54893779754639,0.0,0.0580769516527653,0.81649661064148,0.453263133764267,0.5,-0.183973640203476,6.99627590179443,0.811001062393188,0.0240562614053488,0.0,7.77074480056763,0.201184466481209,0.0750105679035187,0.0,-0.0217447988688946,5.99627590179443,154.020004272461,0.0589255653321743,0.0,3.33209204673767,0.288675129413605,1.0,0.0,-0.00594064220786095,0.0,4.16666650772095,0.0,0.0,3.83999991416931,0.0
InChI%3D1S%2FC2H6O2%2Fc3-1-2-4%2Fh3-4H%2C1-2H2,0.0,0.0,1.0,0.0,0.0,0.333333343267441,14.0,0.0,0.0,40.4599990844727,0.19018229842186,5.54893827438354,0.0,0.0,0.0,0.100000001490116,0.0,-0.0475455746054649,3.66418385505676,0.598984777927399,0.0,0.0,2.66418385505676,0.0,-0.0950911492109299,0.0,0.0475455746054649,1.77446901798248,69.0199966430664,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,2.0,4.0,0.0
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%29,6.05150079727173,0.0,5.08567523956299,1.19766139984131,9.74804782867432,0.650697648525238,380.0,11.0745363235474,2.66414952278137,,0.537229537963867,26.4033718109131,0.486524313688278,2.55706739425659,5.64735412597656,4.36907386779785,0.0,-0.279238075017929,26.99338722229,0.91207218170166,2.59386992454529,0.0,42.3460502624512,2.50796866416931,0.00550627941265702,0.170629993081093,0.0419515334069729,46.259937286377,1258.06005859375,1.6502298116684,0.0,40.2596130371094,2.29106426239014,2.0,0.968025505542755,-0.178618982434273,0.0833333358168602,6.71883678436279,1.17717695236206,1.0,3.2544379234314,0.722153306007385
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%2C1-3H3,3.42854905128479,0.0,6.08364343643188,0.725150883197784,2.67269611358643,0.25,253.0,5.90705013275146,1.4089457988739,,0.514278054237366,20.9888896942139,0.167408898472786,1.9582142829895,3.53277564048767,3.77502131462097,0.0,-0.511246204376221,21.4922218322754,0.874869048595428,2.30806422233582,0.0,31.3461742401123,2.77497601509094,0.637030243873596,0.0866507217288017,-0.697890937328339,34.9836082458496,1375.06005859375,1.87325382232666,0.0,33.5076141357422,1.36779630184174,2.0,0.83457738161087,0.460870683193207,0.0,5.96982145309448,0.524034321308136,0.0,2.96296286582947,0.247386604547501
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%2C1H3,2.98497295379639,0.0,15.7085065841675,0.810895681381226,0.333333343267441,0.0,291.0,7.76046514511108,1.53884994983673,,0.292600810527802,29.1527061462402,0.100592233240604,2.09057855606079,0.31622776389122,4.01101112365723,0.0,-0.134140655398369,24.308837890625,0.823378503322601,2.25679206848145,0.0,33.4543762207031,2.6960437297821,-0.00453827995806932,0.0651501640677452,-0.0465527698397636,33.2329559326172,1384.05004882812,1.83616948127747,0.0,32.9735794067383,1.24692618846893,0.0,1.13809013366699,0.0805032402276993,0.144337564706802,7.85204076766968,0.216506347060204,0.0,4.25,0.176031038165092
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%29,1.59060096740723,0.333333343267441,3.96540641784668,0.394378215074539,2.52506470680237,0.0,181.0,5.91147565841675,0.426767140626907,51.0499992370605,0.423531085252762,17.6833953857422,0.0138888889923692,0.534531712532043,3.67871379852295,1.60436177253723,0.63245552778244,-0.318206131458282,16.9928302764893,0.803601443767548,0.584307789802551,,22.8739528656006,1.02977311611176,0.129867836833,0.0226804614067078,0.0344964899122715,21.2652988433838,690.039978027344,0.661624610424042,,19.3249225616455,1.03025674819946,,0.280906409025192,-0.14877849817276,0.0,6.55401659011841,0.0833333358168602,,4.57142877578735,0.117851130664349
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%2C1H3,4.68410158157349,0.0,7.31527996063232,0.749529123306274,6.9158091545105,0.333333343267441,231.0,15.8463182449341,1.65993511676788,46.5299987792969,0.411497235298157,29.0361614227295,0.192184686660767,2.54178547859192,1.46086823940277,3.69433355331421,0.81649661064148,-0.200779139995575,24.2801055908203,0.791521072387695,3.3627781867981,0.0,38.3384017944336,2.76896333694458,-0.0584108382463455,0.269987106323242,0.111133985221386,45.4412422180176,682.039978027344,2.05566787719727,0.0,42.2206687927246,1.59689211845398,1.0,1.22985076904297,-0.0547018684446812,0.0555555559694767,5.080078125,0.80625718832016,1.0,2.0,0.838492631912231
InChI%3D1S%2FC2H3ClO2%2Fc3-1-2%284%295%2Fh1H2%2C%28H%2C4%2C5%29,0.40824830532074,0.0,0.0,0.0645497217774391,0.0,0.5,19.0,1.0,0.0731925070285797,37.2999992370605,0.270549327135086,14.2616920471191,0.0,0.0,0.0,0.342947721481323,0.0,-0.091614805161953,6.61592149734497,0.572156488895416,0.0,0.0,7.39039039611816,0.0,-0.104217812418938,0.0,0.0605579502880573,7.86397123336792,29.0300006866455,0.0,0.0,0.0,0.40824830532074,1.0,0.0,0.0,0.0,2.25,0.0,1.0,4.0,0.0
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%29,4.96643447875977,0.0,1.85314404964447,0.730771243572235,13.0013074874878,0.25,469.0,9.32117748260498,1.34640765190125,65.1800003051758,0.625495433807373,47.7025985717773,0.136476889252663,1.65519380569458,0.0,3.30300855636597,0.0,-0.258042871952057,32.5595397949219,0.753478050231934,1.68097031116486,0.0,51.3122634887695,2.08136105537415,0.100383542478085,0.0928361415863037,-0.339187115430832,68.1340713500977,409.100006103516,1.0916188955307,0.0,65.3027725219727,2.08661222457886,0.0,0.558327436447144,0.233944743871689,0.0,8.58950614929199,0.690232276916504,2.0,4.80340242385864,0.388885170221329
InChI%3D1S%2FC4H4O4%2Fc5-3%286%291-2-4%287%298%2Fh1-2H%2C%28H%2C5%2C6%29%28H%2C7%2C8%29,0.577350258827209,0.0,1.0,0.105409257113934,0.333333343267441,1.62865054607391,56.0,2.82842707633972,0.0608580633997917,74.5999984741211,0.396464765071869,11.0978765487671,0.0,0.0304290316998959,0.0,0.368487298488617,0.0,-0.204484328627586,8.32836818695068,0.613518357276917,0.0260308757424355,0.0,10.8773059844971,0.142576977610588,0.0623617954552174,0.0,0.0431462079286575,6.32836771011353,65.0400009155273,0.0609845854341984,0.0,5.32836771011353,0.81649661064148,2.0,0.0,-0.2605941593647,0.0,3.9375,0.0,2.0,7.19999980926514,0.0
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%29,5.61352157592773,0.0,7.36047554016113,1.78852033615112,16.0930500030518,0.25,730.0,25.0875625610352,3.00793099403381,73.120002746582,0.390258997678757,268.971740722656,0.25381126999855,4.55041551589966,2.92665958404541,6.53256034851074,0.0,-0.127702385187149,56.198055267334,0.839789748191833,5.61816167831421,0.0,94.2851104736328,5.21079063415527,0.00400251802057028,0.239813357591629,-0.118670113384724,115.252990722656,1246.07995605469,3.13977861404419,0.0,211.303253173828,2.45419096946716,1.0,1.79381608963013,0.0640123710036278,0.0,10.7448015213013,0.648548364639282,1.0,5.88000011444092,0.512657344341278
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%2C1-3H3,4.35435676574707,0.0,13.929573059082,1.82741415500641,3.19322633743286,0.0,518.0,15.3481311798096,2.03912138938904,,0.39281564950943,27.6289024353027,0.286509424448013,2.18894863128662,3.229984998703,4.37214756011963,0.333333343267441,-0.226131230592728,29.1871910095215,0.958135962486267,2.42294049263,0.0,41.5986442565918,2.79187536239624,-0.0373818501830101,0.0730766803026199,0.0991633385419846,40.8707847595215,2316.05004882812,1.80444812774658,0.0,39.761058807373,2.37289905548096,0.0,0.994552254676819,-0.0265794824808836,0.144337564706802,8.79224395751953,0.719416081905365,1.0,5.25848817825317,0.273001730442047
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%29,8.66532325744629,0.0,14.1607027053833,1.59280776977539,17.2200527191162,4.14433002471924,1284.0,33.4767951965332,3.01424336433411,235.630004882812,0.765377283096313,62.6656799316406,0.346569418907166,4.0197319984436,0.0,7.30266427993774,0.0,-0.25816535949707,67.0589599609375,0.957039177417755,4.76975393295288,0.0,85.9731903076172,5.10788440704346,-0.0866265818476677,0.203464180231094,-0.072742260992527,97.9801940917969,2634.14990234375,3.46980285644531,0.0,99.2177658081055,4.69973373413086,4.0,1.96815633773804,0.0328629799187183,0.0,13.7786178588867,1.40011060237885,5.0,7.37240076065063,0.670654773712158
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%29,2.59816718101501,0.0,1.0,0.490309447050095,8.71337413787842,1.62865054607391,114.0,5.24148273468018,1.16286623477936,,0.562406480312347,16.8723449707031,0.118469752371311,1.84171080589294,0.0,2.84357500076294,1.0,-0.202841833233833,15.9925518035889,0.606069386005402,1.98326551914215,0.0,25.2056732177734,2.30530047416687,0.0747957304120064,0.390577763319016,-0.230471298098564,20.3209190368652,420.049987792969,1.4118937253952,0.0,25.0829792022705,1.22222220897675,2.0,0.658945024013519,-0.0651848763227463,0.196418553590775,3.2925169467926,0.370370358228683,2.0,1.42687273025513,0.792919993400574
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%2C1-2H3,2.86255145072937,0.0,9.50418376922607,0.755706489086151,6.93978643417358,0.0,445.0,18.2741298675537,1.14926862716675,,0.343532621860504,24.268913269043,0.0716491192579269,1.51838481426239,2.48244976997375,3.68491554260254,0.333333343267441,-0.121860705316067,25.6610164642334,0.908763289451599,1.85828101634979,0.0,35.8237571716309,2.60523915290833,-0.151938214898109,0.16661824285984,0.0573077611625195,35.4872283935547,1654.0400390625,1.87910950183868,0.0,32.0997619628906,1.44411730766296,0.0,0.993622481822968,0.123959191143513,0.078567422926426,7.71349859237671,0.224513411521912,1.0,4.11033010482788,0.63862419128418
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%29,1.65431356430054,0.476220309734344,14.6162824630737,0.244948968291283,1.25397157669067,0.0,555.0,12.4944868087769,0.409591197967529,60.2799987792969,0.571014583110809,25.4578647613525,0.0,0.508373141288757,0.522604525089264,2.68315649032593,0.646330416202545,-0.386050939559937,25.6570148468018,0.84430205821991,0.490375965833664,0.0,32.7043228149414,1.7080545425415,0.124246083199978,0.0357750318944454,0.0232594627887011,29.7084789276123,1302.05004882812,1.04990708827972,0.0,24.6570148468018,0.901047587394714,0.0,0.460962653160095,-0.223575279116631,0.0,10.7142858505249,0.0,1.0,7.421875,0.19001992046833
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%29,5.61083364486694,0.0,1.65096366405487,1.22873520851135,7.53310680389404,0.142857149243355,304.0,8.07365989685059,2.62235641479492,,0.53595107793808,24.0433826446533,0.47219306230545,2.48522448539734,8.76936721801758,4.02589321136475,0.534522473812103,-0.347445696592331,23.9931087493896,0.846798360347748,2.54020881652832,0.0,36.6813087463379,2.20586681365967,0.139837875962257,0.157329797744751,-0.0393577180802822,40.5396842956543,1344.05004882812,1.43291473388672,0.0,35.3183097839355,2.14877486228943,2.0,0.846795797348022,-0.150588676333427,0.0833333358168602,6.62993574142456,1.05398595333099,0.0,3.34710741043091,0.608193516731262
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%29,4.5286340713501,0.0,6.63197565078735,1.00482678413391,4.09288930892944,0.94494080543518,625.0,7.6848201751709,1.56826853752136,,0.932417511940002,43.5317001342773,0.117655076086521,2.12781453132629,2.71335864067078,4.36311006546021,0.412740916013718,-0.762904047966003,42.1333465576172,0.721851170063019,2.28614616394043,0.0,60.6787757873535,3.00996017456055,0.658267617225647,0.0823836997151375,-0.63554322719574,56.4076271057129,1645.13000488281,1.8994026184082,0.0,58.3582572937012,3.88125324249268,2.0,1.02089488506317,0.588702917098999,0.0,10.3469390869141,0.343443363904953,1.0,7.98676729202271,0.264858663082123
InChI%3D1S%2FC8H8Cl2O2%2Fc1-11-7-3-6%2810%298%2812-2%294-5%287%299%2Fh3-4H%2C1-2H3,2.03365111351013,0.200000002980232,0.333333343267441,0.445177972316742,3.30192732810974,0.0,118.0,5.65685415267944,0.86472499370575,18.4599990844727,0.366532981395721,28.9744453430176,0.0771516785025597,1.02980756759644,2.41710042953491,2.0169792175293,0.0,-0.174161747097969,17.2318420410156,0.712936699390411,1.18151795864105,0.0,25.1353168487549,1.28480136394501,-0.0576232820749283,0.0642559081315994,0.0239135846495628,31.99928855896,268.040008544922,0.825921177864075,0.0,26.3351039886475,0.804737865924835,0.0,0.273515462875366,-0.00718636950477958,0.0,4.296875,0.235702261328697,0.0,2.25,0.189678534865379
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%29,1.12162148952484,0.0,7.45430564880371,0.304342657327652,1.19055080413818,0.0,273.0,7.37723922729492,0.370448738336563,41.8199996948242,0.396930009126663,33.3344345092773,0.0,0.448966205120087,0.0,1.86692380905151,0.5,-0.332251310348511,21.232120513916,0.780148267745972,0.410016417503357,0.0,27.4010753631592,1.16631376743317,0.213571786880493,0.043919637799263,-0.0671512931585312,24.6821365356445,385.049987792969,0.624105930328369,0.0,23.6706695556641,0.78147441148758,0.0,0.297938764095306,-0.0469579882919788,0.0,8.14404392242432,0.0,1.0,6.36999988555908,0.142258897423744
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%2C1H3,2.16528463363647,0.0,8.05471801757812,0.621722519397736,4.13085174560547,0.0,300.0,13.6343536376953,1.04687249660492,,0.26328906416893,35.9199523925781,0.0700673311948776,1.46475899219513,1.08274495601654,3.08568215370178,0.0,-0.076519750058651,25.2875881195068,0.705294609069824,1.57182514667511,0.0,34.9699668884277,2.22398972511292,-0.0471463613212109,0.0841508135199547,-0.0450176931917667,37.2537956237793,682.049987792969,1.3208122253418,0.0,41.8374404907227,1.03125095367432,0.0,0.793059766292572,0.000437161012087017,0.0,7.69526624679565,0.164266422390938,0.0,4.5,0.24753525853157
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%2C1H2,5.35011386871338,0.0,0.595275402069092,1.22670710086823,16.1332454681396,0.16666667163372,286.0,10.9242362976074,2.87041640281677,40.4599990844727,0.291775077581406,68.8254623413086,0.398520827293396,3.54094767570496,0.0,5.06316947937012,0.0,-0.0473481863737106,34.3746070861816,0.886071979999542,4.78059816360474,0.0,57.7492179870605,3.19599485397339,-0.0542925596237183,0.164400517940521,-0.0322443544864655,88.6063537597656,364.079986572266,2.09383940696716,0.0,76.0386962890625,1.98477494716644,0.0,1.20944762229919,-0.0217030700296164,0.0,6.62993574142456,0.858600735664368,2.0,3.34710741043091,0.427037388086319
InChI%3D1S%2FCHN%2Fc1-2%2Fh1H,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,23.7900009155273,0.118922658264637,2.35998797416687,0.0,0.0,0.0,0.0,0.0,-0.0594613291323185,1.16618525981903,0.921348690986633,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.00999999046326,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0
InChI%3D1S%2FC7H17O2PS3%2Fc1-4-8-10%2811%2C9-5-2%2913-7-12-6-3%2Fh4-7H2%2C1-3H3,1.43566012382507,0.5,1.47084140777588,2.19089031219482,0.0,0.0,146.0,0.0,3.29203581809998,110.959999084473,0.324194967746735,38.5826110839844,0.0,5.67750644683838,0.0,8.14529705047607,0.0,-0.25776344537735,34.3139381408691,0.519962728023529,4.92355966567993,2.0,44.3260612487793,7.65718603134155,0.207857683300972,0.0,-0.19646829366684,34.389705657959,685.059997558594,4.77620124816895,1.0,35.8325004577637,0.926776707172394,0.0,3.56829428672791,0.125257968902588,0.0,7.40816307067871,0.0,0.0,6.12244892120361,0.0
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%2C3H3,4.830078125,0.0,1.88988161087036,0.838813781738281,4.13085174560547,1.44224953651428,309.0,8.5908784866333,1.25900554656982,71.5199966430664,0.468742489814758,31.6839733123779,0.114049226045609,1.68115901947021,3.91424512863159,2.94912719726562,0.0,-0.213988929986954,27.7901458740234,0.885168254375458,2.1241626739502,0.0,44.4582748413086,2.04498720169067,0.039333138614893,0.0383675172924995,0.091245673596859,45.1969032287598,863.099975585938,1.43785881996155,0.0,52.2169647216797,3.13522124290466,4.0,0.70361715555191,-0.0441547483205795,0.0,8.39273357391357,0.851455628871918,0.0,5.5,0.124002821743488
InChI%3D1S%2FC2H8NO2PS%2Fc1-5-6%283%2C4%297-2%2Fh1-2H3%2C%28H2%2C3%2C4%29,1.70710682868958,0.0,0.0,0.589073300361633,0.0,0.0,34.0,0.0,0.91981852054596,87.4300003051758,0.311242431402206,20.6870937347412,0.0,0.488938212394714,0.0,1.75136542320251,0.5,-0.270283311605453,20.7647323608398,0.504384994506836,0.0,1.0,20.2653427124023,0.33557802438736,0.206535488367081,0.0,-0.106848865747452,8.99843120574951,154.050003051758,0.0,1.0,1.0,1.20710682868958,1.0,0.0,0.0149754844605923,0.0,2.34375,0.0,0.0,2.66666674613953,0.0
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%29,1.13807117938995,0.0,1.0,0.310001134872437,2.38110160827637,0.0,126.0,2.71847081184387,0.277726292610168,,0.274559199810028,14.1599283218384,0.0,0.365296095609665,0.0,1.30667591094971,0.0,-0.257948398590088,14.6618528366089,0.825787007808685,0.330557614564896,0.0,18.5722637176514,0.831776738166809,0.281851977109909,0.0710250064730644,-0.290753066539764,14.8280382156372,397.059997558594,0.469137102365494,0.0,14.8246688842773,0.98559856414795,0.0,0.238987594842911,0.160171255469322,0.0,3.3950617313385,0.0,0.0,2.49307489395142,0.339345902204514
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%2C1-2H3,2.27692127227783,0.5,5.32517290115356,2.58399653434753,0.333333343267441,0.0,307.0,5.51069116592407,3.89029359817505,110.959999084473,0.341792225837708,51.2953643798828,0.0,6.37894535064697,0.478091448545456,9.15103435516357,0.0,-0.258440911769867,42.2656745910645,0.810071170330048,5.63368225097656,,58.8993225097656,8.21018314361572,0.201358571648598,0.0655177310109138,-0.194342568516731,49.6327514648438,850.070007324219,5.11293649673462,,46.1238098144531,1.41957592964172,,4.05038070678711,0.0954204350709915,0.0,8.22684288024902,0.0,,6.14400005340576,0.142258897423744
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,3.89331889152527,0.0,4.19578075408936,0.96083414554596,12.7624530792236,0.200000002980232,306.0,14.3636169433594,2.72970271110535,,0.486324965953827,34.5244216918945,0.331546127796173,3.99146032333374,0.0,5.86903953552246,0.0,-0.114097781479359,29.6756954193115,0.782684326171875,5.61305141448975,0.0,47.0190200805664,4.54733562469482,-0.0961565524339676,0.346851021051407,0.0597569458186626,65.8111114501953,296.059997558594,3.71890878677368,0.0,53.3403434753418,1.26256453990936,2.0,2.40251278877258,-0.08978271484375,0.0,6.01171875,0.508714139461517,0.0,2.49343585968018,0.417773127555847
InChI%3D1S%2FAsH3O4%2Fc2-1%283%2C4%295%2Fh%28H3%2C2%2C3%2C4%2C5%29%2Fp-3,0.0,0.0,0.0,0.0,0.0,3.0,12.0,0.0,0.0,86.25,1127.91345214844,46.0090942382812,0.0,0.0,0.0,0.0,0.0,-902.330749511719,33.2377510070801,,0.0,0.0,10.6468143463135,0.0,338.374053955078,0.0,0.0,0.0,4.05000019073486,0.0,0.0,0.0,2.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,,0.0
InChI%3D1S%2FC6H6O%2Fc7-6-4-2-1-3-5-6%2Fh1-5%2C7H,0.40824830532074,0.0,6.08364343643188,0.0745356008410454,0.0,0.0,45.0,3.04182171821594,0.086066298186779,20.2299995422363,0.0549920089542866,7.77446889877319,0.0,0.0745356008410454,0.0,0.756193578243256,0.0,-0.0175801925361156,7.33209180831909,0.459348291158676,0.0573775321245193,,8.66418361663818,0.427994102239609,-0.00918847601860762,0.0143443830311298,-0.000699272553902119,5.66418409347534,127.01000213623,0.242140486836433,,1.33209192752838,0.288675129413605,,0.0286887660622597,-2.80631793430075e-05,0.0,2.34375,0.0,,1.5,0.102062076330185
InChI%3D1S%2FCBrN%2Fc2-1-3,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,23.7900009155273,0.11546678841114,46.6180801391602,0.0,0.0,0.0,0.0,0.0,-0.0575265251100063,7.81886053085327,0.661064982414246,0.0,0.0,7.75825214385986,0.0,-0.000206869022804312,0.0,0.0,0.0,2.01999998092651,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0
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%2C1H3,5.52587032318115,0.608220219612122,5.83003234863281,0.782682538032532,7.40534687042236,1.19526600837708,737.0,17.3613338470459,1.33146333694458,95.9700012207031,1.05155885219574,48.0001564025879,0.115710437297821,1.50493860244751,1.00009059906006,3.79345273971558,2.51648926734924,-0.558466255664825,38.6269454956055,0.707259595394135,1.65050780773163,0.0,60.7958450317383,2.41224527359009,0.0591758377850056,0.0817336365580559,0.220341101288795,63.0229530334473,1066.11999511719,1.51451098918915,0.0,60.5966949462891,3.24673223495483,4.0,0.757214725017548,-0.616881966590881,0.0,11.7438020706177,0.838727176189423,0.0,7.82840251922607,0.276854544878006
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%2C1H3,2.02338242530823,0.608220219612122,16.9528312683105,0.423495441675186,2.21892499923706,0.0,638.0,15.897159576416,0.594517946243286,40.5800018310547,0.483245104551315,26.6833953857422,0.0,0.725646257400513,1.32820665836334,3.24703359603882,0.0,-0.255950272083282,28.3249225616455,0.917396247386932,0.755476355552673,0.0,37.2067565917969,2.09905982017517,-0.0325442887842655,0.0459180399775505,0.085862934589386,34.0956687927246,1473.0400390625,1.38088130950928,0.0,27.3249225616455,1.10517168045044,0.0,0.580627024173737,-0.147970616817474,0.0,10.222222328186,0.0,0.0,6.68244552612305,0.262188702821732
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%2C1H3,2.37849545478821,0.200000002980232,16.0009994506836,0.34552201628685,4.32963848114014,0.200000002980232,492.0,16.7202339172363,0.689586639404297,52.5999984741211,0.550307333469391,26.0978755950928,0.0448895953595638,0.850783288478851,0.70085734128952,3.31069374084473,1.26491105556488,-0.373200178146362,25.9925518035889,0.766145646572113,0.878518044948578,0.0,33.5414886474609,2.02693772315979,0.20719438791275,0.050458237528801,-0.0427294597029686,35.317195892334,1430.0400390625,1.26641654968262,0.0,34.645565032959,0.947694182395935,2.0,0.595686554908752,-0.318189740180969,0.0,10.7799997329712,0.248005643486977,0.0,6.42804956436157,0.168393835425377
InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3,0.492799282073975,0.0,7.73231601715088,0.117851130664349,0.0,0.0,60.0,3.96540641784668,0.253933906555176,0.0,0.00121357454918325,8.0,0.0,0.253933906555176,0.5,1.25107300281525,0.0,-0.000279268540907651,8.0,0.847206711769104,0.169289261102676,,9.0,0.713712811470032,-0.000278649618849158,0.0226804614067078,-4.63812102680095e-05,7.0,268.0,0.407100260257721,,3.0,0.20412415266037,,0.123928338289261,-2.44767352342024e-06,0.0,3.11111116409302,0.0,,1.79999995231628,0.0721687823534012
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%2C1H3,2.87188720703125,0.0,12.6762380599976,0.64108020067215,6.89726161956787,0.92028933763504,392.0,19.0980911254883,1.04144847393036,,0.460017919540405,26.8723449707031,0.052069615572691,1.39559316635132,1.86484360694885,4.32777738571167,0.970983564853668,-0.217294499278069,25.9925518035889,0.6515052318573,1.48693943023682,0.0,36.0953903198242,3.05996179580688,0.0593535155057907,0.0437819585204124,-0.117039069533348,39.317195892334,1994.05004882812,1.96998369693756,0.0,45.3047866821289,1.61520767211914,1.0,1.34899568557739,0.107999637722969,0.0,9.474609375,0.212690398097038,3.0,6.09418296813965,0.182469829916954
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%2C1-5H3,3.12910223007202,0.0,6.14065170288086,0.900179088115692,3.27389073371887,0.0,493.0,12.7102041244507,1.28525996208191,27.9599990844727,0.221172869205475,23.079963684082,0.0745356008410454,1.47128522396088,6.40648508071899,3.46250462532043,0.0,-0.186606049537659,24.1632976531982,0.833385229110718,1.49078774452209,0.0,32.3847160339355,2.23682713508606,0.165028631687164,0.117741622030735,-0.158543229103088,31.9942226409912,1654.03002929688,1.2901850938797,0.0,24.3570995330811,1.67076325416565,0.0,0.725323855876923,0.112170286476612,0.0,8.74089527130127,0.235702261328697,0.0,5.86419773101807,0.368390560150146
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%2C1-2H3,5.29610776901245,0.0,1.57780849933624,1.00164437294006,10.0921936035156,0.111111111938953,526.0,11.0652961730957,1.94238328933716,,0.886712074279785,49.3350105285645,0.207344710826874,2.34762477874756,3.23540425300598,4.33819580078125,0.471404522657394,-0.559253811836243,35.3342971801758,0.738881707191467,2.77377724647522,0.0,55.9228210449219,2.88491129875183,0.29700893163681,0.147609978914261,-0.28104293346405,64.8817825317383,1199.10998535156,1.86367797851562,0.0,67.1819458007812,2.25423812866211,2.0,0.98779582977295,0.130621001124382,0.078567422926426,9.46745586395264,0.768694400787354,0.0,5.09342575073242,0.617656052112579
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%2C1-5H3,4.28997325897217,0.400594353675842,11.0891923904419,1.89100027084351,4.62200021743774,0.0,924.0,16.3088397979736,1.81360375881195,,0.625993251800537,35.1778411865234,0.12015949934721,2.34572005271912,5.37931966781616,4.82290697097778,0.543690204620361,-0.283996939659119,36.5707473754883,0.900187373161316,2.44044899940491,0.0,51.9783363342285,3.28390169143677,-0.0151806613430381,0.204523503780365,-0.102268852293491,49.0339584350586,3166.07006835938,2.03958749771118,0.0,46.5877494812012,3.11484742164612,1.0,0.955175757408142,0.0556135140359402,0.078567422926426,11.9234399795532,0.365856766700745,0.0,8.06584358215332,0.590638935565948
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%29,6.36481714248657,0.0,0.333333343267441,1.05971682071686,4.32963848114014,0.595275402069092,280.0,5.9111213684082,1.5284651517868,87.1399993896484,0.669961452484131,33.6772689819336,0.185758993029594,1.51105725765228,5.36573028564453,2.9913158416748,0.0,-0.306460589170456,31.4720516204834,0.691987335681915,1.87703907489777,0.0,51.273250579834,1.79952001571655,-0.213711097836494,0.0614002831280231,0.20729586482048,45.5094223022461,709.090026855469,1.24403214454651,0.0,34.4396209716797,3.42009282112122,2.0,0.64859277009964,0.0475256852805614,0.0,6.40582704544067,2.04636240005493,1.0,4.76470565795898,0.189678534865379
InChI%3D1S%2FC6H10O%2Fc1-4-6%283%2C7%295-2%2Fh1%2C7H%2C5H2%2C2-3H3,1.70710682868958,0.0,0.5,0.525750935077667,0.0,0.0,34.0,0.0,0.626202881336212,20.2299995422363,0.0844352319836617,7.77446889877319,0.0,0.272406101226807,0.0,0.999393343925476,0.0,-0.0301410686224699,6.33209180831909,0.770095646381378,0.0,0.0,8.99627590179443,0.102062076330185,-0.0126671520993114,0.0,0.000635935924947262,6.66418409347534,214.009994506836,0.0,0.0,1.0,1.20710682868958,0.0,0.0,-4.53322791145183e-05,0.0,2.34375,0.0,1.0,2.66666674613953,0.0
InChI%3D1S%2FC8H14N4OS%2Fc1-8%282%2C3%295-6%2813%2912%289%297%2814-4%2911-10-5%2Fh9H2%2C1-4H3,3.39415693283081,0.0,0.0,1.72354829311371,1.65096366405487,0.0,144.0,0.0,1.90344846248627,,0.268598765134811,22.3421745300293,0.292894273996353,2.20140957832336,3.77047395706177,2.98600840568542,0.0,-0.130628883838654,19.0563793182373,0.78235524892807,2.22962236404419,1.0,27.6357707977295,1.82686865329742,-0.0144954202696681,0.0505042672157288,-0.0335677973926067,31.883472442627,842.059997558594,1.01926302909851,0.0,25.6315822601318,2.03544330596924,1.0,0.72777646780014,0.0521466694772243,0.0,4.24489784240723,0.628930926322937,0.0,2.53439998626709,0.17817260324955
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,4.74640226364136,0.0,2.60102272033691,0.687337934970856,15.1241436004639,2.4663667678833,368.0,15.9185342788696,1.31305491924286,127.449996948242,0.730861186981201,27.4212837219238,0.115376368165016,1.70420050621033,0.0,3.44985365867615,1.41714465618134,-0.126953318715096,26.6567363739014,,2.05662989616394,0.0,41.3134727478027,2.38159418106079,-0.251307457685471,0.11434417963028,-0.146527543663979,48.6331558227539,834.070007324219,1.62139940261841,0.0,44.1858177185059,1.96120929718018,1.0,0.926616668701172,0.230812728404999,0.0,6.48148155212402,0.62265956401825,5.0,3.16534781455994,0.533011436462402
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%29,3.47864675521851,0.0,0.5,0.46669140458107,5.45069169998169,2.07621812820435,158.0,5.67623996734619,0.9360431432724,112.360000610352,0.214048847556114,20.9523086547852,0.107677571475506,1.07178688049316,2.30526971817017,2.02767515182495,0.0,-0.0482692793011665,19.0445117950439,0.655240595340729,1.15734958648682,0.0,27.5937900543213,1.22511601448059,0.0228537023067474,0.0498838983476162,0.0647455826401711,29.4842166900635,289.079986572266,0.715298771858215,0.0,28.8404808044434,1.63128232955933,4.0,0.334464758634567,-0.147315219044685,0.0,5.55765581130981,0.595967054367065,1.0,3.25,0.151780605316162
InChI%3D1S%2FC10H23O2PS2%2Fc1-6-9%284%2914-13%2811%2C12-8-3%2915-10%285%297-2%2Fh9-10H%2C6-8H2%2C1-5H3,2.12605309486389,0.0,0.56462162733078,2.09599328041077,0.25,0.0,164.0,2.21041893959045,3.26287221908569,86.7099990844727,0.284359306097031,34.4548568725586,0.0,5.44970560073853,3.19577169418335,6.1216926574707,0.5,-0.241308927536011,34.3120613098145,0.897683024406433,6.20048666000366,2.0,46.8755722045898,5.14186000823975,0.20266580581665,0.0,-0.098823457956314,37.5733680725098,1159.05004882812,3.25746941566467,1.0,36.1652183532715,1.50412690639496,1.0,2.11401557922363,-0.0204157624393702,0.0,7.30246925354004,0.0,0.0,6.22222232818604,0.0
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%29,4.14052724838257,0.0,10.8801965713501,0.790209114551544,5.63006162643433,1.5,453.0,17.2312812805176,1.33779466152191,107.699996948242,0.330427646636963,32.9456062316895,0.131484463810921,1.52228581905365,0.0,3.73855066299438,0.0,-0.121894910931587,35.3634338378906,0.789630770683289,1.74407553672791,0.0,44.3205490112305,2.43786215782166,-0.0595823004841805,0.103810988366604,-0.00379008566960692,44.0454406738281,863.070007324219,1.69425964355469,0.0,38.0454406738281,2.38902163505554,2.0,0.939475119113922,0.0678284093737602,0.0,7.48611116409302,0.652834713459015,2.0,4.34567880630493,0.366992384195328
InChI%3D1S%2FC5H12NO3PS2%2Fc1-6-5%287%294-12-10%2811%2C8-2%299-3%2Fh4H2%2C1-3H3%2C%28H%2C6%2C7%29,2.32490611076355,0.5,0.0,2.26160097122192,0.0,0.0,120.0,1.0,4.25147008895874,118.25,0.478371769189835,32.5893135070801,0.0,3.88547134399414,0.814325273036957,6.72856330871582,0.400000005960464,-0.358653157949448,30.6388301849365,0.755408346652985,1.85276019573212,1.0,38.5858688354492,3.07140851020813,0.239044800400734,0.0,-0.154271006584167,30.2580890655518,397.070007324219,1.79480946063995,1.0,17.4464111328125,1.215451836586,0.0,0.954594135284424,-0.135061085224152,0.0,5.61224508285522,0.0,1.0,4.59183692932129,0.0
InChI%3D1S%2FC3H6N2S%2Fc6-3-4-1-2-5-3%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29,0.40824830532074,0.0,1.0,0.150000005960464,0.0,0.0,29.0,1.0,0.212132036685944,63.189998626709,0.155081227421761,12.847728729248,0.0,0.224999994039536,0.0,0.956023514270782,0.0,-0.111370421946049,8.33452606201172,0.733077883720398,0.0,0.0,11.9192867279053,0.597213566303253,0.0383092723786831,0.0,-0.00447946460917592,5.33957052230835,114.029998779297,0.150000005960464,0.0,0.0,0.288675129413605,0.0,0.0,0.0,0.144337564706802,1.63265311717987,0.0,0.0,0.979591846466064,0.0
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%29,1.03950572013855,0.0,9.56307411193848,0.252519905567169,0.825481832027435,0.0,235.0,5.81609010696411,0.330944657325745,97.7799987792969,0.183363944292068,16.7999401092529,0.0,0.378841519355774,0.0,1.8179452419281,0.0,-0.162602126598358,16.1632976531982,0.683828115463257,0.292058408260345,0.0,20.3261127471924,1.15537774562836,0.137566208839417,0.0226804614067078,-0.115240670740604,16.1632976531982,690.049987792969,0.664107263088226,0.0,15.1046934127808,0.901047587394714,0.0,0.312156647443771,0.06144829839468,0.0,7.30246925354004,0.0,0.0,6.22222232818604,0.0721687823534012
InChI%3D1S%2FC22H42O4%2Fc1-5-9-13-19%287-3%2917-25-21%2823%2915-11-12-16-22%2824%2926-18-20%288-4%2914-10-6-2%2Fh19-20H%2C5-18H2%2C1-4H3,1.80209517478943,0.142857149243355,16.182544708252,0.526099443435669,1.06664621829987,0.142857149243355,720.0,12.4563493728638,1.03025674819946,52.5999984741211,0.536209285259247,29.0978755950928,0.0,1.02661406993866,2.24943399429321,5.05840015411377,1.06904494762421,-0.334569275379181,26.9925518035889,0.90479439496994,0.912182211875916,0.0,31.5414905548096,2.90082335472107,0.124197535216808,0.0,-0.0349373295903206,32.3209190368652,3839.0400390625,1.89997231960297,0.0,31.3209190368652,0.98559856414795,2.0,1.04085147380829,0.0354279801249504,0.0,18.3673477172852,0.0,0.0,15.7526750564575,0.0
InChI%3D1S%2FC6Cl5NO2%2Fc7-1-2%288%294%2810%296%2812%2813%2914%295%2811%293%281%299,3.83057880401611,0.0,0.0,0.801852881908417,9.1254653930664,0.5,128.0,0.0,2.38675689697266,34.1399993896484,0.229722589254379,54.4726943969727,0.394132077693939,3.18857359886169,0.0,3.62600493431091,0.0,0.0272514652460814,25.0318050384521,0.47870260477066,4.06783056259155,0.0,42.2883987426758,2.02002215385437,-0.0752719342708588,0.0955731347203255,-0.122439339756966,81.9136734008789,14.0799999237061,1.01001107692719,0.0,78.7167434692383,1.4066948890686,2.0,0.458130538463593,-0.0322349928319454,0.0,4.24489784240723,0.683855593204498,0.0,2.02040815353394,0.206568524241447
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%29,2.47339200973511,0.0,9.22886180877686,0.657960414886475,4.70796251296997,0.0,442.0,12.3759098052979,1.13754570484161,,0.412265479564667,29.7566547393799,0.020833333954215,1.55003809928894,1.12478840351105,3.97399973869324,0.5,-0.400818735361099,28.3329582214355,0.82326328754425,1.71054637432098,1.0,41.305248260498,2.89336085319519,0.360644429922104,0.153978303074837,-0.303841650485992,37.171085357666,1024.06005859375,2.03223919868469,0.0,32.3316383361816,1.23438096046448,0.0,1.24576437473297,0.231905117630959,0.096225045621395,7.51300716400146,0.0833333358168602,1.0,4.26035499572754,0.487523853778839
InChI%3D1S%2FC10H7Cl5O%2Fc11-7-1-6%282-8%2812%293-7%299%285-16-9%294-10%2813%2C14%2915%2Fh1-3H%2C4-5H2,2.71907210350037,0.0,3.5395290851593,2.92533493041992,1.5,0.0,187.0,7.58543252944946,1.85770428180695,,0.352139979600906,55.3382377624512,0.0897791907191277,3.40512537956238,0.0,3.06044721603394,0.0,-0.152213901281357,27.4228706359863,0.635616838932037,4.19068765640259,0.0,61.4646072387695,2.68509030342102,0.0288239698857069,0.358774691820145,-0.0950807183980942,35.6584358215332,336.059997558594,1.65385806560516,0.0,59.6902694702148,2.89213728904724,0.0,0.713439524173737,0.0345759019255638,0.0,4.03292179107666,0.216506347060204,0.0,3.02972650527954,0.719786286354065
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%29,2.866854429245,0.5,1.93097877502441,0.891286194324493,1.89484846591949,0.0,289.0,6.11400985717773,1.48969662189484,82.6699981689453,0.444013297557831,33.4615631103516,0.102062076330185,2.05764985084534,4.96909332275391,3.67634153366089,1.0,-0.440693289041519,32.4831008911133,0.945673823356628,1.73209011554718,1.0,39.388542175293,2.59409713745117,0.405420958995819,0.0633399710059166,-0.176020309329033,42.2247505187988,1339.06005859375,1.21840238571167,1.0,36.9753074645996,1.9415180683136,1.0,0.812628924846649,-0.0648840069770813,0.0,7.69526624679565,0.117851130664349,0.0,5.47919130325317,0.164266422390938
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%2C1-2H3,5.99612665176392,0.200000002980232,14.5121641159058,1.20931839942932,10.8246412277222,0.0,1011.0,24.5746726989746,1.99712836742401,71.3499984741211,0.858286559581757,50.2622680664062,0.199823915958405,2.18428802490234,4.68361234664917,5.33173513412476,0.534522473812103,-0.442383587360382,42.8561096191406,0.787920832633972,2.40214872360229,0.0,66.4170913696289,3.43300366401672,-0.0672165527939796,0.0918058082461357,0.291839957237244,69.3166122436523,2291.09008789062,2.23324537277222,0.0,66.4940414428711,3.35943198204041,1.0,1.20035684108734,-0.322464466094971,0.0,13.6930475234985,0.866504967212677,0.0,8.77198314666748,0.329381465911865
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%2C1-4H3,3.77821469306946,0.25,11.5209045410156,1.86685609817505,5.31624794006348,0.0,622.0,15.2958040237427,2.52641367912292,39.439998626709,0.443552732467651,27.3234062194824,0.193447262048721,2.84829187393188,6.24484920501709,5.44218969345093,0.577350258827209,-0.235689505934715,28.6604595184326,0.827167689800262,3.06349778175354,,38.7670211791992,3.73289752006531,0.0590870305895805,0.656903982162476,-0.121481396257877,33.988826751709,2649.03002929688,2.50396299362183,,35.0953903198242,2.38108277320862,,1.29267776012421,0.134320378303528,0.614044845104218,8.34714031219482,0.282117545604706,,5.04166650772095,1.42517483234406
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%29,3.20671892166138,0.0,9.22886180877686,0.62724781036377,4.70796251296997,0.111111111938953,461.0,12.3759098052979,1.26727521419525,,0.479863971471786,31.5311241149902,0.0798326954245567,1.64169728755951,1.12478840351105,3.94584107398987,0.471404522657394,-0.40420737862587,31.8893566131592,0.920079469680786,1.8169618844986,0.0,43.9694328308105,2.73677349090576,0.343611121177673,0.133903786540031,-0.302956193685532,42.4994506835938,1059.06994628906,1.86054420471191,0.0,37.6600074768066,1.35191607475281,1.0,1.09915542602539,0.202382758259773,0.096225045621395,7.71349859237671,0.27578341960907,1.0,4.11033010482788,0.465451836585999
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%29,1.73148417472839,0.0,4.25141477584839,0.330037713050842,2.00414514541626,0.125,186.0,9.17985534667969,0.527670443058014,49.6599998474121,0.319087892770767,23.6216793060303,0.0240562614053488,0.615215361118317,1.19389832019806,1.84429216384888,0.0,-0.115065261721611,16.9482917785645,0.823026895523071,0.546553790569305,0.0,22.0000343322754,1.14014768600464,-0.0744911357760429,0.0263114888221025,0.0461551249027252,23.2123699188232,394.040008544922,0.666793763637543,0.0,19.3980274200439,1.01474142074585,1.0,0.308752596378326,0.00142530095763505,0.0,5.77777767181396,0.117851130664349,1.0,3.96000003814697,0.107038088142872
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%29,2.66405010223389,0.0,1.65096366405487,0.670190572738647,2.40685200691223,0.0,170.0,6.4474196434021,1.16583096981049,35.8300018310547,0.263285994529724,30.9199523925781,0.151864215731621,0.832568526268005,1.8685519695282,2.27131295204163,0.0,-0.211180791258812,19.0664920806885,0.764936923980713,0.961604595184326,,28.6062393188477,1.06239056587219,0.164931923151016,0.0653127580881119,-0.107838593423367,35.3469047546387,394.049987792969,0.713097870349884,,19.508487701416,1.24456429481506,,0.335849225521088,0.0185884088277817,0.0,5.18559551239014,0.402368932962418,,3.59183669090271,0.184195280075073
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%29,1.75726759433746,0.0,7.41127014160156,0.481305956840515,3.92513632774353,0.0,271.0,11.4511032104492,0.669819056987762,,0.181324198842049,18.079963684082,0.0372678004205227,0.824690282344818,1.76976454257965,2.61090803146362,0.0,-0.151614397764206,19.9971122741699,0.744486331939697,0.910865664482117,0.0,25.077075958252,1.80428862571716,0.118533045053482,0.174161031842232,-0.0335477255284786,23.6618518829346,884.030029296875,1.12569379806519,0.0,20.6618518829346,1.03025674819946,0.0,0.595653831958771,-0.0346460863947868,0.0,5.32544374465942,0.0833333358168602,0.0,3.26326751708984,0.536210417747498
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%2C1-3H3,2.42945027351379,0.0,5.81049728393555,0.445908010005951,3.30192732810974,0.0,220.0,10.6467142105103,1.05579257011414,29.5400009155273,0.426489025354385,27.6216793060303,0.0976826399564743,1.60421061515808,3.5051908493042,3.04065036773682,0.25,-0.25822725892067,21.446569442749,0.587208867073059,1.97361660003662,0.0,27.2214088439941,2.05148530006409,0.0738404244184494,0.0518248938024044,-0.0806569904088974,34.5335540771484,1138.0400390625,1.33353197574615,0.0,34.8369598388672,0.885265052318573,1.0,0.709822356700897,0.0490607656538486,0.0,8.22684288024902,0.275708943605423,0.0,4.26666688919067,0.155437618494034
InChI%3D1S%2FC10H14N2O2%2Fc1-3-14-10-5-4-8%286-9%2810%2911%2912-7%282%2913%2Fh4-6H%2C3%2C11H2%2C1-2H3%2C%28H%2C12%2C13%29,1.60537827014923,0.0,2.33481526374817,0.316794484853745,2.40685200691223,0.0,182.0,7.18844223022461,0.435097366571426,67.8399963378906,0.29498416185379,16.268913269043,0.0196418557316065,0.557734251022339,2.05947661399841,1.58411419391632,0.142857149243355,-0.144952550530434,15.4948320388794,0.802279353141785,0.544049918651581,0.0,20.712760925293,1.07918167114258,-0.0213297419250011,0.0344681032001972,0.0125794867053628,19.2144832611084,602.039978027344,0.628866016864777,0.0,16.8548202514648,1.01474142074585,0.0,0.280694365501404,-0.0158577356487513,0.0,5.77777767181396,0.117851130664349,1.0,3.96000003814697,0.164266422390938
InChI%3D1S%2FC3H4Cl2O2%2Fc1-3%284%2C5%292%286%297%2Fh1H3%2C%28H%2C6%2C7%29,2.5980761051178,0.0,0.0,1.57687592506409,0.0,0.5,29.0,0.0,0.909124553203583,37.2999992370605,0.310190379619598,23.9744453430176,0.162194401025772,0.274969905614853,0.5,0.698866784572601,0.0,-0.100523799657822,10.5676584243774,0.454777300357819,0.0,0.0,25.9583568572998,0.0,-0.135374665260315,0.0,0.0808032751083374,18.392126083374,58.0400009155273,0.0,0.0,0.0,1.65470051765442,1.0,0.0,0.0,0.0,1.85185182094574,0.866025388240814,1.0,2.66666674613953,0.0
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%2C1-2H3,3.14252614974976,1.5,3.54556488990784,0.666405558586121,3.14734530448914,0.0,300.0,8.86721420288086,1.1301417350769,54.5699996948242,0.617927670478821,51.8865509033203,0.0642559081315994,1.66108536720276,1.21331775188446,3.21914744377136,1.5,-0.570042788982391,36.5924949645996,0.859306693077087,1.78663325309753,0.0,47.470386505127,2.32110929489136,0.51184868812561,0.0665826052427292,-0.223836541175842,53.6107788085938,776.080017089844,1.30274033546448,1.0,64.8224487304688,1.75390350818634,1.0,0.725354433059692,-0.117841273546219,0.0,8.44444465637207,0.164266422390938,0.0,5.37890625,0.175366476178169
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%29,4.35770654678345,0.090909093618393,1.0,1.09137368202209,5.50270652770996,1.42381393909454,518.0,3.46139478683472,2.41969585418701,,0.996331989765167,43.7022590637207,0.267869472503662,3.93861365318298,4.031494140625,5.91994714736938,1.35477125644684,-0.759518623352051,41.7238388061523,0.933146357536316,4.16813993453979,1.0,55.8752975463867,4.81633806228638,0.681259274482727,0.434162110090256,-0.659790098667145,62.2293128967285,1609.13000488281,2.80532360076904,0.0,65.7801742553711,2.52571153640747,3.0,1.55746257305145,0.261423617601395,0.117851130664349,9.27392292022705,0.428855359554291,1.0,5.7362961769104,0.473958820104599
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%29,2.76513528823853,0.0,7.43776512145996,0.497386634349823,5.09290552139282,1.19526600837708,352.0,10.9513111114502,0.78269076347351,122.209999084473,0.692877769470215,25.592321395874,0.0387847423553467,0.855425953865051,1.36540818214417,2.75942301750183,0.79527074098587,-0.33358496427536,23.4911079406738,0.96186500787735,0.858027040958405,0.0,31.5937900543213,1.68989014625549,-0.0141092110425234,0.0226804614067078,0.10906533151865,31.8435859680176,1101.06994628906,1.01620769500732,0.0,30.926685333252,1.48614585399628,2.0,0.507524609565735,-0.299483686685562,0.0,9.90397834777832,0.284517794847488,2.0,7.19999980926514,0.0721687823534012
InChI%3D1S%2FC10H22O3%2Fc1-4-5-6-12-8-10%283%2913-7-9%282%2911%2Fh9-11H%2C4-8H2%2C1-3H3,0.696923434734344,0.333333343267441,3.56403374671936,0.349240839481354,0.333333343267441,0.0,182.0,3.01468515396118,0.260428100824356,38.689998626709,0.433716803789139,15.3234071731567,0.0,0.207299575209618,1.94416129589081,1.61673283576965,0.471404522657394,-0.189228624105453,13.6604595184326,0.743377089500427,0.267751753330231,0.0,15.3246440887451,0.847333788871765,-0.18301248550415,0.0,0.262769639492035,13.5452136993408,1000.03002929688,0.577868759632111,0.0,11.3283681869507,0.696923434734344,0.0,0.225805878639221,-0.0901397466659546,0.0,8.59171581268311,0.0,1.0,9.91735553741455,0.0
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%29,10.4166202545166,1.42467141151428,20.6013145446777,2.96679353713989,10.5487842559814,3.47503423690796,1539.0,26.9369201660156,4.62308788299561,,1.57714867591858,60.4280853271484,0.368632912635803,6.98407697677612,9.04870414733887,9.67719078063965,5.69205045700073,-0.595368981361389,59.1438407897949,0.797035396099091,7.70030403137207,0.0,91.0571899414062,7.09108352661133,-0.0931890979409218,0.337295293807983,-0.405393540859222,99.3896560668945,8786.1396484375,4.05721950531006,0.0,117.581680297852,6.00155115127563,2.0,2.88252711296082,0.444290906190872,0.246399641036987,17.6399993896484,1.11297833919525,6.0,11.2753019332886,0.922935426235199
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%2C1-9H3,5.73563528060913,0.200000002980232,13.1348848342896,2.27511954307556,9.34417724609375,0.0,1118.0,17.738374710083,3.52833533287048,,0.380819082260132,36.3234062194824,0.201282918453217,4.37460660934448,14.5930967330933,8.08390712738037,0.534522473812103,-0.197958528995514,36.6604614257812,0.962579905986786,5.23498916625977,0.0,52.763298034668,5.55687665939331,0.0370870716869831,0.1397545337677,-0.0235387235879898,55.3209190368652,6447.02978515625,3.8485734462738,0.0,52.988826751709,3.30622220039368,1.0,2.95050573348999,-0.0683582946658134,0.0,14.0741357803345,0.480936348438263,0.0,9.43638515472412,0.358312129974365
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%2C1-4H3,3.13563370704651,1.5,0.25,1.45091605186462,1.31037068367004,0.0,250.0,1.08738040924072,2.24634003639221,,0.615638494491577,40.8942909240723,0.116793312132359,3.47556567192078,3.10068774223328,5.00952100753784,0.0,-0.57784241437912,35.3296318054199,0.767191469669342,2.82057118415833,0.0,47.9356880187988,3.93330073356628,0.52204954624176,0.113878808915615,-0.417665988206863,45.9042587280273,1215.08996582031,1.57692515850067,1.0,47.194896697998,1.83601915836334,0.0,1.187131524086,0.249384582042694,0.096225045621395,6.96320009231567,0.232307806611061,0.0,4.56599283218384,0.308012455701828
InChI%3D1S%2FC8H4O3%2Fc9-7-5-3-1-2-4-6%285%298%2810%2911-7%2Fh1-4H,1.8843150138855,0.0,3.96540641784668,0.227670907974243,4.24264049530029,0.25,96.0,6.87156677246094,0.488132447004318,,0.382737040519714,13.3234071731567,0.0448895953595638,0.624801576137543,0.0,1.5522872209549,1.0,-0.252007007598877,13.3283681869507,0.642441630363464,0.562811374664307,0.0,19.8773059844971,1.03326463699341,0.191299796104431,0.0816021412611008,-0.194822862744331,17.6567363739014,146.029998779297,0.586029410362244,0.0,11.7670211791992,0.743570029735565,2.0,0.228284925222397,0.0642627403140068,0.078567422926426,2.80276823043823,0.248005643486977,0.0,1.20982992649078,0.514865815639496
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%29,2.01881408691406,0.0,3.96540641784668,0.611441671848297,3.72966551780701,0.0,217.0,5.8085036277771,0.887323915958405,,0.352271318435669,40.5782127380371,0.0422577112913132,1.20024490356445,0.0,2.69405269622803,0.0,-0.323868244886398,24.1846942901611,0.799548923969269,1.1396152973175,0.0,38.804874420166,1.92209410667419,0.332010716199875,0.100482150912285,-0.30659219622612,36.648365020752,436.070007324219,1.02991676330566,0.0,39.5762329101562,1.18384337425232,0.0,0.569130718708038,0.130845993757248,0.0,5.55765581130981,0.117851130664349,0.0,3.49519896507263,0.326454192399979
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%2C1-3H3,3.81979632377625,0.0,6.50133085250854,1.86937499046326,2.10257887840271,0.0,305.0,10.6328945159912,1.84209561347961,,0.260076344013214,29.5671863555908,0.236668154597282,1.96670854091644,3.04879641532898,3.51350402832031,0.0,-0.143491640686989,24.4747428894043,0.801192045211792,2.29895520210266,0.0,36.1185607910156,2.16137981414795,-0.0145787950605154,0.0798094049096107,0.0407898910343647,33.6162338256836,1469.05004882812,1.42522156238556,0.0,30.6650543212891,2.32824087142944,0.0,0.809523463249207,-0.0060630259104073,0.144337564706802,6.84000015258789,0.636082768440247,1.0,4.4963264465332,0.249296993017197
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%29,2.35258316993713,0.0,0.5,0.5357546210289,4.61053943634033,0.0,155.0,5.33041000366211,0.984261572360992,41.8199996948242,0.281643688678741,15.9089260101318,0.101631566882133,1.09240770339966,6.95548009872437,2.15657901763916,0.5,-0.262195020914078,15.3286466598511,0.906492054462433,1.30468988418579,0.0,21.5455856323242,1.25079143047333,0.203986078500748,0.0710051730275154,-0.0866204723715782,21.1587371826172,659.030029296875,0.765044212341309,0.0,16.9928302764893,1.1721693277359,0.0,0.35068091750145,-0.00804044865071774,0.0,5.18559551239014,0.232307806611061,1.0,3.27272725105286,0.205950379371643
InChI%3D1S%2FC42H70O35%2Fc43-1-8-29-15%2850%2922%2857%2936%2864-8%2972-30-9%282-44%2966-38%2824%2859%2917%2830%2952%2974-32-11%284-46%2968-40%2826%2861%2919%2832%2954%2976-34-13%286-48%2970-42%2828%2863%2921%2834%2956%2977-35-14%287-49%2969-41%2827%2862%2920%2835%2955%2975-33-12%285-47%2967-39%2825%2860%2918%2833%2953%2973-31-10%283-45%2965-37%2871-29%2923%2858%2916%2831%2951%2Fh8-63H%2C1-7H2,17.8112144470215,11.4561491012573,1.86484706401825,2.81736421585083,0.0,0.0,3031.0,29.8725090026855,6.01613283157349,,4.49943447113037,104.106414794922,0.556731581687927,7.96494054794312,0.0,14.7833919525146,33.3705062866211,-1.47924387454987,100.272506713867,0.944288730621338,10.0727758407593,0.0,156.992370605469,10.4157218933105,-1.87640750408173,0.44328299164772,1.39015066623688,216.774139404297,17864.349609375,7.46919345855713,0.0,210.580856323242,5.98021411895752,0.0,4.62167501449585,-0.684508621692657,0.0,26.9274368286133,2.47761464118958,21.0,12.5641832351685,1.30862820148468
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%2C1-2H3,3.93352317810059,0.200000002980232,17.0665702819824,1.041219830513,9.47431087493896,0.0,768.0,26.4306735992432,1.71170926094055,59.3199996948242,0.534061372280121,40.3961486816406,0.144641861319542,2.17175650596619,4.50565052032471,4.89270734786987,0.534522473812103,-0.245716109871864,35.7783813476562,0.860361397266388,2.24169683456421,0.0,50.5008659362793,3.31338143348694,-0.0447267293930054,0.088006854057312,0.105105876922607,53.2761383056641,2046.05004882812,2.07508087158203,0.0,52.4316711425781,1.87707018852234,1.0,1.06729102134705,-0.152193948626518,0.0,12.2963762283325,0.328567415475845,0.0,7.25925922393799,0.310652732849121
InChI%3D1S%2FC2H6ClO3P%2Fc3-1-2-7%284%2C5%296%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29,0.75,0.0,1.0,0.323007196187973,0.0,1.5,38.0,0.0,0.189651370048523,67.3399963378906,0.31146028637886,22.6865749359131,0.0,0.242444276809692,0.0,0.817658960819244,0.0,-0.142596647143364,16.836332321167,0.6044961810112,0.0310684889554977,0.0,14.8502597808838,0.495680689811707,0.0410176515579224,0.0,-0.136529713869095,11.6083335876465,102.050003051758,0.0,1.0,11.7959566116333,1.56066012382507,1.0,0.0,0.0823785588145256,0.0,2.34375,0.0,2.0,6.0,0.0
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%2C1-3H3,2.23138046264648,0.5,5.62605857849121,2.46305584907532,0.333333343267441,0.0,293.0,5.48213529586792,3.61812400817871,110.959999084473,0.288092643022537,43.5826110839844,0.0,5.33788919448853,1.13695240020752,8.20161628723145,0.0,-0.224306300282478,40.3139381408691,0.682746767997742,5.1699104309082,2.0,50.8699684143066,6.32731533050537,0.170600742101669,0.0453609228134155,-0.111669637262821,44.6661911010742,1063.06005859375,4.08583784103394,1.0,42.0873527526855,1.33502495288849,0.0,1.85509049892426,-0.0166504085063934,0.0,8.22684288024902,0.0,0.0,5.68047332763672,0.117851130664349
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%29,1.03867518901825,0.0,0.5,0.387556940317154,0.0,2.58640933036804,87.0,1.15470051765442,0.166378632187843,116.669998168945,0.56227970123291,19.8827476501465,0.0,0.137022063136101,0.0,0.753125965595245,0.0,-0.267307162284851,18.8811492919922,0.856267929077148,0.0764297321438789,0.0,18.9319267272949,0.4094018638134,-0.163007602095604,0.0,0.321017652750015,11.3461694717407,199.070007324219,0.181055873632431,1.0,9.23929977416992,1.96890842914581,2.0,0.0934911370277405,-0.0554516762495041,0.0,4.0,0.0,3.0,9.14285755157471,0.0
InChI%3D1S%2FC10H14O2%2Fc1-10%282%2C3%298-6-7%2811%294-5-9%288%2912%2Fh4-6%2C11-12H%2C1-3H3,2.55712699890137,0.0,1.65096366405487,1.46125411987305,1.65096366405487,0.200000002980232,98.0,5.85380077362061,1.32165634632111,40.4599990844727,0.108915656805038,13.5489377975464,0.23514024913311,1.55267477035522,3.12012577056885,1.78814971446991,0.0,-0.0361627265810966,12.6641836166382,0.740953803062439,1.56887185573578,0.0,19.3283672332764,1.12474882602692,-0.00136778992600739,0.0335447043180466,0.0017636037664488,17.6604595184326,544.02001953125,0.644570469856262,0.0,14.9925518035889,2.00825381278992,0.0,0.211075142025948,-0.0529336780309677,0.0,3.3950617313385,0.436886727809906,2.0,2.49307489395142,0.170103460550308
InChI%3D1S%2FC6H7N3O2%2Fc7-4-1-2-5%288%296%283-4%299%2810%2911%2Fh1-3H%2C7-8H2,1.85140001773834,0.0,1.65096366405487,0.281375914812088,1.65096366405487,0.5,89.0,5.85380077362061,0.43682649731636,86.1800003051758,0.0961242616176605,13.6289024353027,0.0322748608887196,0.44450169801712,0.0,1.25118947029114,0.0,0.00465727504342794,12.6054878234863,0.523704528808594,0.444592177867889,0.0,17.4357643127441,0.718813240528107,-0.0179443098604679,0.0385360643267632,-0.0474402830004692,16.6854667663574,214.050003051758,0.427555739879608,0.0,13.2938442230225,0.993793487548828,2.0,0.120613142848015,-0.0189049802720547,0.0,3.59999990463257,0.232307806611061,0.0,2.21453285217285,0.175366476178169
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,3.22751998901367,0.0,7.8177809715271,0.8663010597229,1.32180213928223,0.5,310.0,11.1876850128174,1.26994800567627,51.75,0.29605770111084,41.8766670227051,0.0722591653466225,1.31172931194305,0.0,3.33471846580505,1.0,-0.182741895318031,32.5745506286621,0.431838810443878,1.46287882328033,0.0,43.8001708984375,2.04089665412903,0.0960194766521454,0.0984206944704056,-0.0200872048735619,42.8070106506348,423.059997558594,1.48363316059113,0.0,32.5658416748047,1.97628879547119,2.0,0.844115853309631,-0.0446663424372673,0.0,5.96982145309448,0.348461717367172,0.0,3.99583768844604,0.267258912324905
InChI%3D1S%2F3C6H5.Sn.H%2Fc3%2A1-2-4-6-5-3-1%3B%3B%2Fh3%2A1-5H%3B%3B,0.0,0.0,0.0,0.0,0.0,0.0,1640261632.0,0.0,0.0,0.0,0.0,115.686866760254,0.0,0.0,0.0,2.0,0.0,0.0,18.0,,0.0,0.0,18.0,1.15470051765442,0.0,0.0,0.0,9.0,1258.01000976562,0.666666686534882,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.0555553436279,0.0,0.0,14.222222328186,0.0
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%2C1-4H3,5.3557710647583,0.333333343267441,7.78182458877563,1.58112061023712,1.77103018760681,0.0,345.0,10.0454368591309,3.44332981109619,,0.332660377025604,21.5489387512207,0.486932307481766,4.40237998962402,4.39169979095459,5.44647932052612,0.0,-0.140425428748131,23.3283672332764,0.71450537443161,5.40420722961426,0.0,36.988826751709,3.76619219779968,-0.1067750826478,0.747251510620117,0.132175609469414,34.0991134643555,1924.02001953125,2.85960912704468,0.0,23.9925518035889,2.24775695800781,0.0,1.70617842674255,-0.0631379187107086,0.160557135939598,5.32525968551636,0.827156782150269,0.0,2.60302448272705,1.39050257205963
InChI%3D1S%2FC6H12N2S4%2Fc1-7%282%295%289%2911-12-6%2810%298%283%294%2Fh1-4H3,2.41421365737915,0.0,0.0,1.02779829502106,0.333333343267441,0.0,122.0,0.0,2.79835605621338,121.26000213623,0.177577093243599,37.2309875488281,0.580584764480591,2.04103374481201,2.52982211112976,4.20304012298584,0.0,-0.155359894037247,24.8040046691895,0.674064695835114,1.99655795097351,2.0,38.0489349365234,1.94427692890167,0.0841490626335144,0.0,0.00510031124576926,42.8407173156738,397.059997558594,1.28772461414337,0.0,18.3510818481445,1.13807117938995,0.0,0.840137720108032,-0.070487879216671,0.0,5.61224508285522,0.471404522657394,0.0,5.32544374465942,0.0
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%29,2.61187124252319,0.0,0.5,0.677049815654755,4.38093566894531,0.0,214.0,5.60977554321289,1.09283721446991,45.060001373291,0.361986547708511,18.268913269043,0.120451420545578,1.8691246509552,7.68199014663696,2.31221318244934,0.5,-0.314765930175781,17.8272018432617,0.956204056739807,1.56872057914734,0.0,24.8779563903809,1.83155691623688,0.221973538398743,0.0594887882471085,-0.104654677212238,25.4913864135742,916.039978027344,0.696482062339783,0.0,24.1590156555176,1.40864825248718,0.0,0.450664043426514,-0.0337714366614819,0.0,6.07438039779663,0.268245965242386,1.0,3.76923084259033,0.182469829916954
InChI%3D1S%2FC7H6N2O4%2Fc8-6-3-4%289%2812%2913%291-2-5%286%297%2810%2911%2Fh1-3H%2C8H2%2C%28H%2C10%2C11%29,2.486496925354,0.0,1.65096366405487,0.312949061393738,3.14734530448914,1.30139529705048,135.0,6.83080291748047,0.551549732685089,97.4599990844727,0.273471415042877,16.8178520202637,0.0496550165116787,0.561210513114929,0.0,1.4763765335083,0.0,-0.0995837524533272,15.1034860610962,0.736303150653839,0.494060397148132,0.0,21.5420475006104,0.858450591564178,0.0233176965266466,0.0366753078997135,-0.0592423751950264,21.4876613616943,205.059997558594,0.466823786497116,0.0,18.4560260772705,1.20511829853058,3.0,0.211075484752655,0.036413986235857,0.0,4.48148155212402,0.398974478244781,1.0,2.72108840942383,0.146608799695969
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%2C9H2,2.16528463363647,0.0,9.37767028808594,0.677426218986511,3.14734530448914,0.0,280.0,11.8114175796509,1.22619640827179,,0.386661142110825,35.9199523925781,0.0786107331514359,1.72813856601715,0.718608200550079,3.65130186080933,0.0,-0.240159466862679,25.3985843658447,0.765146315097809,1.8248518705368,0.0,35.6617698669434,2.66158413887024,0.0162620153278112,0.100718222558498,0.082661084830761,35.6408004760742,1102.05004882812,1.52466058731079,0.0,42.4930610656738,1.03125095367432,0.0,1.00441408157349,-0.103683397173882,0.144337564706802,7.69526624679565,0.164266422390938,0.0,4.5,0.234292045235634
InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0278811901807785,10.7127532958984,0.0,0.0,0.0,0.0,0.0,-0.0112892696633935,3.95173740386963,0.720241606235504,0.0,0.0,2.95173740386963,0.0,-0.00265132472850382,0.0,0.0,0.0,19.0100002288818,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0
InChI%3D1S%2FC10H7NO2%2Fc12-11%2813%2910-7-3-5-8-4-1-2-6-9%288%2910%2Fh1-7H,1.88458144664764,0.0,8.73702907562256,0.257319629192352,2.38110160827637,0.5,130.0,10.127366065979,0.584611296653748,34.1399993896484,0.0570435300469398,14.9089260101318,0.0534484498202801,0.79638934135437,0.0,1.96331775188446,0.0,0.000557311635930091,15.2731170654297,0.87869268655777,0.87075275182724,0.0,20.7710227966309,1.3675183057785,-0.0162229556590319,0.068462461233139,-0.0115078771486878,20.8269233703613,285.029998779297,0.900191307067871,0.0,17.4911079406738,0.772165536880493,2.0,0.399133712053299,-0.00129119679331779,0.0,4.02216053009033,0.259679704904556,0.0,1.91999995708466,0.24254684150219
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%29,1.14638590812683,0.0,5.69588470458984,0.301312297582626,1.19055080413818,0.0,228.0,5.75657844543457,0.419836312532425,,0.257276147603989,23.3421745300293,0.0,0.503469109535217,0.0,2.16759896278381,0.0,-0.151150017976761,21.3062553405762,0.912320673465729,0.357917159795761,0.0,28.3607444763184,1.3986439704895,0.0412155240774155,0.032022051513195,0.0456386096775532,18.7186870574951,415.059997558594,0.644287526607513,0.0,20.6632518768311,0.696923434734344,0.0,0.269269406795502,-0.164017975330353,0.144337564706802,5.91499996185303,0.0,1.0,3.81096410751343,0.131094351410866
InChI%3D1S%2FC6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299,3.64273452758789,0.0,0.0,0.85042005777359,9.1254653930664,0.0,102.0,0.0,2.77899146080017,0.0,0.189304560422897,58.2765197753906,0.482142865657806,3.65978360176086,0.0,4.0044116973877,0.0,-3.46944695195361e-18,23.7104244232178,0.375978887081146,4.78164720535278,0.0,41.4208488464355,2.00220584869385,-0.0946522802114487,0.106302507221699,-0.0473261401057243,90.6973724365234,12.0600004196167,1.00110292434692,0.0,69.986946105957,1.15470051765442,0.0,0.45367643237114,3.46944695195361e-18,0.0,3.3950617313385,0.666666686534882,0.0,1.5625,0.222222223877907
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%29,4.76305818557739,0.382096260786057,3.10826730728149,0.827982544898987,7.98217487335205,1.42381393909454,704.0,9.16432857513428,1.39180076122284,154.190002441406,1.45464694499969,49.9971656799316,0.120112083852291,1.88547956943512,1.32432758808136,3.87954211235046,1.8318430185318,-1.18726825714111,47.0432205200195,0.777329981327057,1.98734414577484,0.0,66.2425689697266,2.63299870491028,0.988088190555573,0.0562153607606888,-0.931849837303162,65.1478652954102,1006.15997314453,1.57254135608673,0.0,78.1131744384766,3.25765705108643,3.0,0.821957111358643,0.804948806762695,0.0,12.4592590332031,0.428855359554291,1.0,8.6982250213623,0.234116762876511
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%2C1-2H3,6.26239585876465,0.200000002980232,12.9015808105469,1.72739160060883,7.59643507003784,0.0,802.0,18.8104515075684,2.65281128883362,59.3199996948242,0.813556492328644,45.9022827148438,0.283230572938919,2.64596772193909,3.7276782989502,5.42592525482178,0.534522473812103,-0.402275860309601,38.523738861084,0.769842267036438,2.83434271812439,0.0,59.7523536682129,3.28058481216431,-0.0640037804841995,0.551956474781036,0.162132665514946,64.0767974853516,1774.07995605469,2.18721675872803,0.0,53.4645805358887,3.6721932888031,1.0,1.15254080295563,-0.106892615556717,0.496193736791611,10.5081214904785,0.977823317050934,0.0,6.53333330154419,1.33655846118927
InChI%3D1S%2FC6H4Cl2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H,0.81649661064148,0.0,3.30192732810974,0.377964466810226,0.333333343267441,0.0,58.0,5.65685415267944,0.436435788869858,0.0,0.0509229935705662,23.4255065917969,0.0,0.344206035137177,0.0,1.30749583244324,0.0,-0.0152897946536541,11.9034748077393,0.553946316242218,0.499412149190903,0.0,17.8069496154785,0.681525647640228,-0.00233003846369684,0.0629940778017044,-0.00136178592219949,14.8069496154785,88.0199966430664,0.59917026758194,0.0,5.90347480773926,0.577350258827209,0.0,0.125988155603409,-0.0231314580887556,0.0,2.51999998092651,0.0,0.0,1.79999995231628,0.16666667163372
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%29,3.19981026649475,0.0,0.333333343267441,0.720471560955048,5.79836463928223,0.5,181.0,6.03235626220703,1.36522090435028,46.5299987792969,0.447163045406342,40.4616661071777,0.167235270142555,1.24924266338348,2.00414514541626,2.64384078979492,0.666666686534882,-0.157512053847313,22.1835803985596,0.91010445356369,1.73380899429321,0.0,35.4774436950684,1.41685914993286,-0.194338232278824,0.0793735086917877,0.164240017533302,46.2324714660645,274.059997558594,1.00280737876892,0.0,34.4479637145996,1.44280898571014,1.0,0.445324182510376,-0.00204457435756922,0.0,5.36507940292358,0.520220041275024,1.0,3.5,0.205950379371643
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%2C1-2H3,3.5709273815155,0.608220219612122,7.44107437133789,0.672832727432251,5.95735359191895,0.0,710.0,17.6330165863037,1.03859579563141,,0.740772068500519,37.5306053161621,0.0363085232675076,1.22557258605957,2.48815250396729,3.6948127746582,0.825481832027435,-0.395265847444534,32.9411239624023,0.74639230966568,1.36988759040833,0.0,47.5494422912598,2.40124607086182,-0.152308851480484,0.094033494591713,0.277015149593353,47.8535308837891,1375.06994628906,1.60073208808899,0.0,39.8816719055176,1.7057853937149,1.0,0.746604859828949,-0.149510130286217,0.0,9.97229957580566,0.25,0.0,5.99728393554688,0.426455110311508
InChI%3D1S%2FC6H13N%2Fc7-6-4-2-1-3-5-6%2Fh6H%2C1-5%2C7H2,0.40824830532074,0.0,6.08364343643188,0.16666667163372,0.0,0.0,45.0,3.04182171821594,0.235702261328697,26.0200004577637,0.0269772820174694,7.35998821258545,0.0,0.25,0.0,1.64982986450195,0.0,-0.00865923427045345,7.16618537902832,0.322519570589066,0.235702261328697,0.0,8.33237075805664,1.13416683673859,-0.00447217142209411,0.0589255653321743,-0.000343292398611084,5.33237028121948,358.010009765625,0.779039084911346,0.0,1.16618525981903,0.288675129413605,0.0,0.117851130664349,-1.39431194838835e-05,0.0,2.34375,0.0,0.0,1.5,0.102062076330185
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%29,2.110426902771,0.0,1.65096366405487,0.565622448921204,1.65096366405487,1.5,170.0,5.85380077362061,0.610434114933014,110.029998779297,0.298336118459702,23.9456043243408,0.0416666679084301,0.623062372207642,1.65096366405487,1.67259275913239,1.5,-0.236037582159042,25.1114349365234,0.878637135028839,0.652079582214355,0.0,27.7571105957031,1.00856387615204,0.0752434656023979,0.0499732792377472,0.0536388121545315,20.8252925872803,394.070007324219,0.623534619808197,0.0,17.8306789398193,2.25170421600342,2.0,0.313660830259323,-0.0475464202463627,0.0,4.67999982833862,0.117851130664349,1.0,4.3878116607666,0.184195280075073
InChI%3D1S%2FC10H10O4%2Fc1-13-9%2811%297-3-5-8%286-4-7%2910%2812%2914-2%2Fh3-6H%2C1-2H3,2.17851138114929,0.142857149243355,3.30192732810974,0.25,2.40685200691223,0.142857149243355,184.0,8.59655952453613,0.50809121131897,52.5999984741211,0.560497939586639,17.0978755950928,0.0277777779847383,0.528737425804138,2.00788974761963,1.72709548473358,1.06904494762421,-0.398015141487122,15.9925518035889,0.765966534614563,0.459544599056244,0.0,20.8773059844971,0.978095650672913,0.200271517038345,0.0277777779847383,-0.0743746683001518,22.3209190368652,394.040008544922,0.57672393321991,0.0,16.6567363739014,0.804737865924835,2.0,0.270205736160278,0.0291616916656494,0.0,5.77777767181396,0.235702261328697,0.0,3.27272725105286,0.096225045621395
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%29,5.68117904663086,0.0,4.52188587188721,1.25786304473877,6.48384094238281,2.19557762145996,588.0,14.4383792877197,1.48486232757568,118.480003356934,0.753110826015472,51.7134284973145,0.118116065859795,1.75102126598358,1.16361248493195,3.72386336326599,0.812599003314972,-0.371339350938797,44.0287208557129,0.777465999126434,1.94033169746399,0.0,62.6876525878906,2.46102857589722,0.121464982628822,0.0817336365580559,-0.0368135124444962,62.3683853149414,765.130004882812,1.58153247833252,0.0,63.2957305908203,4.51871728897095,4.0,0.81821471452713,-0.245803594589233,0.0,9.42768573760986,0.838727176189423,1.0,7.038733959198,0.276854544878006
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%2C1-3H3,3.74524021148682,0.400594353675842,21.7277736663818,1.36241543292999,1.9222846031189,0.0,814.0,18.0246696472168,1.82908844947815,27.6900005340576,0.433087289333344,30.3234062194824,0.201184466481209,2.1013240814209,2.53436899185181,4.55578422546387,0.0,-0.223544538021088,31.9925518035889,0.967467606067657,1.89715969562531,0.0,42.988826751709,2.99976396560669,-0.0238341130316257,0.0693057775497437,0.0377779640257359,42.6530113220215,2608.03002929688,1.84432637691498,0.0,36.6567344665527,2.01131105422974,0.0,1.02273321151733,-0.0549494549632072,0.0,11.4075002670288,0.348461717367172,0.0,7.33506965637207,0.290612131357193
InChI%3D1S%2FC6H4Cl2N2O2%2Fc7-4-1-3%2810%2811%2912%292-5%288%296%284%299%2Fh1-2H%2C9H2,2.66998910903931,0.0,0.5,0.511299014091492,3.53277564048767,0.5,110.0,5.11154460906982,0.94173264503479,60.1599998474121,0.135993793606758,29.6944217681885,0.106913715600967,1.09986865520477,0.0,1.90005350112915,0.0,0.000715754518751055,17.3427772521973,0.553967356681824,1.14176058769226,0.0,26.910343170166,1.15187275409698,-0.0212455000728369,0.0685906410217285,-0.033577099442482,31.6846027374268,124.059997558594,0.591205477714539,0.0,29.1615123748779,1.16385459899902,2.0,0.284130305051804,-0.0715056657791138,0.0,3.80622839927673,0.438832193613052,0.0,2.25,0.198741674423218
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%29,4.00450420379639,0.360562384128571,4.39190816879272,0.840790271759033,5.03232908248901,1.31037068367004,633.0,9.80857467651367,1.22102105617523,,1.06620156764984,40.9889869689941,0.041490912437439,1.68742859363556,3.53539276123047,3.97224426269531,1.73205077648163,-0.779549896717072,41.7160797119141,0.91655284166336,1.77934956550598,0.0,52.1403656005859,2.69823408126831,0.59689736366272,0.0517708286643028,-0.703916966915131,55.3205757141113,1453.11999511719,1.69896376132965,0.0,61.4680061340332,2.64660596847534,3.0,0.9185471534729,0.746209442615509,0.0,11.4075002670288,0.164266422390938,1.0,7.65052080154419,0.251375645399094
InChI%3D1S%2FCClN%2Fc2-1-3,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,23.7900009155273,0.127181217074394,11.0727415084839,0.0,0.0,0.0,0.0,0.0,-0.0706582590937614,4.11792278289795,0.723318219184875,0.0,0.0,3.44227266311646,0.0,0.00706765288487077,0.0,0.0,0.0,2.01999998092651,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0
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%2C11H2,2.58604741096497,0.0,14.3924131393433,0.98254805803299,1.53261888027191,0.0,346.0,14.4207906723022,2.27472257614136,,0.326033592224121,29.5519638061523,0.176776692271233,3.15866279602051,0.0,5.94784021377563,0.0,-0.179606214165688,29.3695545196533,0.734995484352112,3.89306855201721,0.0,41.6260566711426,4.53839540481567,0.00248445593751967,0.144024193286896,0.0118476944044232,39.2444381713867,1261.06005859375,3.46967554092407,0.0,33.9027099609375,1.25089049339294,0.0,2.2895667552948,0.0358746461570263,0.144337564706802,7.51300716400146,0.136082768440247,0.0,4.26035499572754,0.321817278862
InChI%3D1S%2FC8H8%2Fc1-2-8-6-4-3-5-7-8%2Fh2-7H%2C1H2,0.492799282073975,0.0,7.73231601715088,0.096225045621395,0.0,0.0,60.0,3.96540641784668,0.179152488708496,0.0,0.0,8.0,0.0,0.174792468547821,0.5,1.03527474403381,0.0,0.0,8.0,0.87207019329071,0.119434997439384,0.0,9.0,0.589121699333191,0.0,0.0185185186564922,0.0,7.0,200.0,0.335167527198792,0.0,3.0,0.20412415266037,0.0,0.0823979601264,0.0,0.0,3.11111116409302,0.0,0.0,1.79999995231628,0.0721687823534012
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%2C1-3H3,2.78817558288574,0.0,7.29205322265625,0.462558060884476,4.25141477584839,0.200000002980232,296.0,14.2187824249268,1.15230226516724,46.6100006103516,0.542907118797302,31.3961486816406,0.088229551911354,1.76410114765167,3.52267241477966,3.47140550613403,0.63245552778244,-0.286323249340057,24.7786617279053,0.887234389781952,2.22228002548218,0.0,32.2727813720703,2.40588784217834,-0.0641415268182755,0.0447789765894413,0.222382694482803,40.1422080993652,1429.05004882812,1.60089433193207,0.0,42.2249526977539,1.10490465164185,2.0,0.910751640796661,-0.224290192127228,0.0,9.90397834777832,0.252697080373764,0.0,5.28979587554932,0.135508760809898
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%29,2.09335231781006,0.0,3.76916909217834,0.453836262226105,3.74492192268372,0.0,326.0,7.94180536270142,0.842056930065155,46.3300018310547,0.420452952384949,26.7566547393799,0.020833333954215,1.13996815681458,1.78201687335968,3.67008090019226,0.5,-0.405461221933365,24.3329582214355,0.754496335983276,1.31128811836243,1.0,33.6354637145996,2.44198513031006,0.360099762678146,0.114694587886333,-0.304866284132004,30.5012989044189,990.059997558594,1.7319929599762,0.0,26.6618537902832,1.03025674819946,0.0,1.05641639232635,0.23638890683651,0.096225045621395,6.96320009231567,0.0833333358168602,1.0,3.99583768844604,0.415355086326599
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%29,2.66405010223389,0.0,1.65096366405487,0.53787088394165,2.40685200691223,0.0,204.0,6.4474196434021,1.11230373382568,45.060001373291,0.352709263563156,32.6944198608398,0.125400274991989,0.889656066894531,1.66633629798889,2.42682385444641,0.333333343267441,-0.191585466265678,20.7858657836914,0.746918797492981,0.936864912509918,0.0,30.4366092681885,1.11445260047913,-0.0297609008848667,0.0653127580881119,0.108924016356468,38.1765632629395,415.059997558594,0.699345469474792,0.0,22.3388557434082,1.14693319797516,0.0,0.341015696525574,-0.0737990215420723,0.0,5.91499996185303,0.333333343267441,1.0,3.81096410751343,0.184195280075073
InChI%3D1S%2FC10H20O%2Fc1-7%282%299-5-4-8%283%296-10%289%2911%2Fh7-11H%2C4-6H2%2C1-3H3,1.83847367763519,0.0,1.65096366405487,0.863500475883484,3.14734530448914,0.0,95.0,6.83080291748047,1.52066850662231,20.2299995422363,0.0752622708678246,11.7744693756104,0.179115906357765,1.88056206703186,4.83966255187988,2.98719000816345,0.0,-0.0240425206720829,11.3320922851562,0.785869300365448,1.93211650848389,0.0,15.6641836166382,2.15188241004944,-0.0120851658284664,0.137754127383232,-0.00141777843236923,14.9962759017944,851.010009765625,1.3444105386734,0.0,11.3283681869507,0.993793487548828,0.0,0.915320217609406,-8.63958412082866e-05,0.0,3.59999990463257,0.232307806611061,1.0,2.21453285217285,0.175366476178169
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%2C1-2H3,3.35823965072632,1.5,0.57235711812973,1.41261446475983,3.30192732810974,0.0,247.0,3.48040437698364,2.22813415527344,82.4800033569336,0.571382164955139,55.5998229980469,0.112873218953609,3.04332137107849,1.24957597255707,4.97243309020996,0.0,-0.443670034408569,38.3745613098145,0.571203827857971,3.2469265460968,0.0,53.8121948242188,3.59452939033508,0.329808801412582,0.0614824593067169,-0.25175353884697,63.9124336242676,535.090026855469,1.83714950084686,1.0,60.8240852355957,1.80055010318756,0.0,1.00972270965576,0.0662044435739517,0.0,6.96320009231567,0.284517794847488,0.0,4.56599283218384,0.205950379371643
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%29,3.6280472278595,0.0,7.73910045623779,0.706757128238678,4.75006055831909,0.0,419.0,13.9592924118042,0.927522778511047,41.8199996948242,0.534758746623993,29.4150581359863,0.0661965683102608,1.21761894226074,2.70870018005371,2.89777374267578,0.16666667163372,-0.315618097782135,27.0740013122559,0.619923949241638,1.21314382553101,0.0,42.9639701843262,2.00633978843689,0.0860730707645416,0.0515406094491482,0.00443347822874784,38.8159103393555,1094.06005859375,1.20643925666809,0.0,42.4468231201172,2.67215824127197,0.0,0.56406170129776,-0.175160065293312,0.0,8.39273357391357,0.497890949249268,1.0,5.78566741943359,0.207630321383476
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%29,3.00305604934692,0.0,4.9417290687561,0.539568066596985,6.37222766876221,0.25,408.0,12.8046846389771,0.82417219877243,61.689998626709,0.466754287481308,33.9857559204102,0.0397772379219532,0.906366407871246,0.0,2.74128437042236,0.0,-0.269379913806915,26.4442329406738,0.787036657333374,0.894934296607971,0.0,39.0816497802734,1.67415964603424,0.21894645690918,0.075598880648613,-0.349236398935318,40.0517578125,541.070007324219,1.02911341190338,0.0,39.5063323974609,1.59969234466553,1.0,0.438368439674377,0.270592927932739,0.0,8.0222225189209,0.235702261328697,1.0,5.0,0.317625373601913
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%29,1.77000296115875,0.0,0.0,1.55484712123871,1.5,0.0,196.0,0.94494080543518,1.01815342903137,,0.328258574008942,23.9276924133301,0.0,1.47036910057068,3.76471042633057,2.72152900695801,0.0,-0.335463553667068,21.0014228820801,0.683838307857513,1.46226322650909,1.0,29.411584854126,1.92604613304138,0.381152480840683,0.0452491343021393,-0.371913105249405,24.499979019165,1281.06005859375,1.23251724243164,0.0,28.7498378753662,2.17303252220154,0.0,0.858242869377136,0.259397923946381,0.0,6.07438039779663,0.0,0.0,5.26446294784546,0.144337564706802
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%2C1-5H3,3.47563576698303,0.16666667163372,2.31898379325867,0.65088826417923,6.67872285842896,0.200000002980232,244.0,8.05601978302002,1.35819792747498,55.8400001525879,0.675135433673859,23.4578647613525,0.153112486004829,2.019127368927,8.9466781616211,3.14649605751038,1.09204828739166,-0.401711314916611,22.4911079406738,0.737547099590302,2.47780919075012,0.0,30.4872283935547,2.18896913528442,-0.046521820127964,0.0588708110153675,0.33311465382576,36.760066986084,1301.05004882812,1.27129185199738,0.0,38.1515693664551,1.35748136043549,2.0,0.611510455608368,-0.333760142326355,0.0,8.44444465637207,0.472972095012665,0.0,4.4963264465332,0.175366476178169
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%29,1.53058302402496,0.0,4.32963848114014,0.44160071015358,1.19055080413818,0.0,238.0,6.45510816574097,0.40736648440361,57.4199981689453,0.436180055141449,18.6289024353027,0.0,0.394677221775055,1.81985867023468,1.65579080581665,0.5,-0.383918553590775,18.1595726013184,0.892804086208344,0.419073104858398,0.0,23.237943649292,0.96049278974533,0.294630765914917,0.0237628296017647,-0.179339334368706,20.6575717926025,721.049987792969,0.639119148254395,0.0,18.3806686401367,1.10517168045044,0.0,0.280723690986633,0.0879173949360847,0.0,7.34999990463257,0.0,1.0,5.77777767181396,0.117851130664349
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%29,4.54256200790405,0.5,1.65096366405487,1.76937770843506,1.65096366405487,0.0,248.0,5.85380077362061,2.02742528915405,57.3699989318848,0.471000880002975,34.0465621948242,0.288575828075409,2.00426173210144,3.71132397651672,3.19294619560242,1.0,-0.453077703714371,30.0952663421631,0.782312333583832,2.23486733436584,0.0,40.2879829406738,1.76651644706726,0.407260537147522,0.0491262935101986,-0.195565566420555,40.314338684082,1063.06005859375,1.22604632377625,1.0,37.6660423278809,2.83950853347778,1.0,0.592036783695221,-0.0654670000076294,0.0,5.96982145309448,0.550863802433014,0.0,4.26666688919067,0.150174587965012
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%2C13H2,3.41798567771912,0.0,25.4285526275635,0.928746819496155,0.685006737709045,0.0,456.0,12.8416290283203,1.75826609134674,,0.294212251901627,33.1527061462402,0.100592233240604,2.29368257522583,0.0,4.73718118667603,0.0,-0.133300393819809,29.308837890625,0.801717162132263,2.4710488319397,0.0,40.4543762207031,3.21455359458923,-0.0021117920987308,0.0869406387209892,-0.0507647804915905,39.2329559326172,1657.05004882812,2.22136640548706,0.0,36.9735794067383,1.45105040073395,0.0,1.28171324729919,0.0489035360515118,0.144337564706802,9.08734703063965,0.216506347060204,0.0,5.01925945281982,0.244320973753929
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%29,4.80073833465576,0.200000002980232,4.55375957489014,0.733419120311737,5.04042720794678,0.5,535.0,12.6744508743286,1.11066746711731,,0.851589143276215,39.6767501831055,0.0871115773916245,1.081822514534,1.61683428287506,3.10441184043884,0.81649661064148,-0.439231991767883,31.0220146179199,0.822894155979156,1.20987808704376,0.0,50.8040962219238,1.81282818317413,-0.0518971160054207,0.0607335232198238,0.075936384499073,50.5209350585938,744.090026855469,1.19936168193817,0.0,41.1273612976074,2.8900158405304,1.0,0.543087422847748,-0.0255056992173195,0.0,8.58950614929199,0.786566078662872,1.0,6.04640102386475,0.268025726079941
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%29,1.94286894798279,0.0,2.14426136016846,0.472573101520538,2.40685200691223,0.0,155.0,7.57937431335449,0.960093557834625,32.5900001525879,0.186987280845642,29.559965133667,0.107142858207226,0.797893106937408,0.934275984764099,2.21659779548645,0.0,-0.0831747055053711,17.5679378509521,0.821322619915009,0.88656210899353,,26.1910629272461,1.07499957084656,-0.00109663745388389,0.0653127580881119,-0.022501839324832,32.6824417114258,328.040008544922,0.706988573074341,,18.1761169433594,0.964203774929047,,0.341370403766632,0.0105084888637066,0.0,5.02422142028809,0.16666667163372,,3.32409977912903,0.184195280075073
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%2C1-3H3,4.7967700958252,0.57235711812973,8.61584568023682,0.684409618377686,5.81609010696411,0.0,668.0,15.8731393814087,1.31620895862579,69.4800033569336,0.818706035614014,37.3239860534668,0.127899244427681,1.49905526638031,4.21094274520874,3.86300849914551,0.825481832027435,-0.407630890607834,34.8451194763184,0.851673781871796,1.612144947052,0.0,50.6835289001465,2.43346571922302,-0.061580378562212,0.0613085217773914,0.0359046123921871,52.4173965454102,1589.08996582031,1.55989801883698,0.0,53.022144317627,2.58726644515991,1.0,0.764832019805908,0.20310840010643,0.0,12.1427717208862,0.770685791969299,0.0,7.57119989395142,0.196817278862
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%29,1.81854486465454,0.0,2.02732348442078,0.433186739683151,3.53277564048767,0.0,207.0,5.19102096557617,0.963741898536682,,0.266136974096298,16.8544330596924,0.098470412194729,1.29813599586487,3.28384494781494,2.90400981903076,0.0,-0.200005933642387,16.3292026519775,0.843063175678253,1.38711190223694,0.0,21.6302623748779,1.98200595378876,0.186295419931412,0.0625831782817841,-0.198853492736816,22.3257579803467,1234.0400390625,1.24642074108124,0.0,20.9344120025635,0.811611413955688,0.0,0.787663698196411,0.0895030573010445,0.0,6.55401659011841,0.19245009124279,1.0,3.81096410751343,0.189678534865379
InChI%3D1S%2FC9H22O4P2S4%2Fc1-5-10-14%2816%2C11-6-2%2918-9-19-15%2817%2C12-7-3%2913-8-4%2Fh5-9H2%2C1-4H3,2.87132024765015,1.44224953651428,1.89464569091797,4.38178062438965,0.0,0.0,282.0,0.0,6.58407163619995,171.320007324219,0.595385253429413,57.9097175598145,0.0,11.3550128936768,0.0,13.5658483505249,0.0,-0.470932185649872,55.9487342834473,0.808009207248688,11.9540205001831,2.0,74.1847991943359,13.7110996246338,0.397346585988998,0.0,-0.366467952728271,61.4398422241211,1258.09997558594,11.2262506484985,2.0,67.8181686401367,1.85355341434479,0.0,12.0262660980225,0.186016753315926,0.0,9.83364868164062,0.0,0.0,8.0,0.0
InChI%3D1S%2FC10H16Cl3NOS%2Fc1-6%282%2914%287%283%294%2910%2815%2916-5-8%2811%299%2812%2913%2Fh6-7H%2C5H2%2C1-4H3,3.04986238479614,0.0,0.0,1.22461128234863,3.20884418487549,0.0,193.0,2.17637634277344,2.4761700630188,45.6100006103516,0.303102254867554,46.4004707336426,0.444055199623108,3.21433639526367,6.10283517837524,3.87249732017517,0.0,-0.192894443869591,25.0254306793213,0.775565028190613,2.6402428150177,1.0,43.0775604248047,2.69311714172363,0.101045526564121,0.0,-0.0436875633895397,53.3813018798828,721.059997558594,1.10713028907776,0.0,44.2185325622559,1.58251559734344,1.0,0.616293370723724,-0.0335948430001736,0.0,7.34999990463257,0.536491930484772,0.0,5.77777767181396,0.0
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,2.88035488128662,0.0,6.70422315597534,0.571664392948151,5.29643678665161,0.0,372.0,12.4174356460571,1.19823515415192,,0.205220639705658,36.8654594421387,0.123358629643917,1.44020092487335,0.0,3.36758232116699,0.0,-0.0579583048820496,27.2881927490234,0.803559899330139,1.44028222560883,0.0,39.8564071655273,2.1705105304718,-0.0761639997363091,0.100771859288216,-0.050009161233902,45.4246215820312,520.059997558594,1.30794787406921,0.0,42.3315277099609,1.07690334320068,0.0,0.587034225463867,0.0303353201597929,0.0,6.84000015258789,0.328532844781876,0.0,3.44250011444092,0.359116762876511
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%29,5.45274448394775,0.0,0.5,1.35506510734558,6.35979080200195,3.1143274307251,275.0,5.60793161392212,2.14605331420898,140.059997558594,0.37146258354187,35.2145195007324,0.310302168130875,2.999183177948,7.77664518356323,3.63772749900818,0.0,-0.0953986644744873,34.9408378601074,0.879561185836792,3.39197254180908,0.0,45.5904998779297,2.70903849601746,-0.0313447676599026,0.0460156425833702,0.0448005571961403,48.3741340637207,1175.10998535156,1.62452936172485,0.0,58.9513359069824,3.33808398246765,6.0,0.939735293388367,-0.0466497465968132,0.0,7.92000007629395,1.05515933036804,0.0,4.9886622428894,0.124002821743488
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%2C1-2H3,3.77821469306946,0.200000002980232,13.4274263381958,1.76344215869904,5.31624794006348,0.0,644.0,16.5227203369141,2.27008318901062,35.5299987792969,0.444388508796692,43.7489128112793,0.193447262048721,2.46572494506836,3.33362126350403,4.81392240524292,0.534522473812103,-0.260513782501221,33.5639343261719,0.567440748214722,2.89146399497986,,51.7153396606445,3.14340925216675,0.089429996907711,0.644676744937897,-0.0248885825276375,41.5564880371094,1654.05004882812,2.2006471157074,,44.7920532226562,2.38108277320862,,1.0022120475769,-0.0457441247999668,0.496193736791611,9.0,0.282117545604706,0.0,5.51770114898682,1.37706232070923
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%2C1-3H3,5.18705177307129,0.0,9.97135829925537,2.06355404853821,0.333333343267441,0.0,376.0,6.61037969589233,3.23851037025452,,0.268169939517975,30.5671863555908,0.849341630935669,3.0693359375,0.948683321475983,4.57131814956665,0.0,-0.138427585363388,25.4747428894043,0.753670692443848,3.17492485046387,0.0,38.2844696044922,2.66143131256104,-0.0216099880635738,0.0709031298756599,0.0330466330051422,35.4500503540039,1884.05004882812,1.82313895225525,0.0,28.3326835632324,2.67547678947449,0.0,1.1090407371521,-0.00495807779952884,0.144337564706802,7.05078125,1.43566012382507,1.0,4.73338222503662,0.193289935588837
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%2C6H2,3.19980955123901,0.5,7.40685415267944,0.781547605991364,1.65096366405487,0.0,286.0,8.03965854644775,1.46335124969482,,0.556942045688629,37.0544090270996,0.100940354168415,2.32610321044922,0.0,3.77241659164429,0.0,-0.32766792178154,27.4227561950684,0.487597167491913,2.4907500743866,0.0,41.9586868286133,2.91507625579834,-0.036921925842762,0.136699184775352,0.112313844263554,39.6925430297852,954.070007324219,1.63957619667053,0.0,52.5285339355469,1.45614206790924,0.0,1.09604012966156,-0.0099572381004691,0.269337564706802,5.78000020980835,0.260110020637512,0.0,2.88000011444092,0.415894269943237
InChI%3D1S%2FC18H16N2O8S2.2Na%2Fc1-10-7-14%2816%2828-2%299-17%2810%2930%2825%2C26%2927%2919-20-18-13-5-4-12%2829%2822%2C23%2924%298-11%2813%293-6-15%2818%2921%3B%3B%2Fh3-9%2C19H%2C1-2H3%2C%28H%2C22%2C23%2C24%29%28H%2C25%2C26%2C27%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2,6.81163883209229,0.0,5.10164070129395,0.959954500198364,9.98697566986084,2.97264456748962,-424509504.0,18.3914585113525,1.97521138191223,181.850006103516,0.851128816604614,56.4988059997559,0.187585175037384,2.38555765151978,3.7789294719696,4.89105367660522,0.951699912548065,-0.415900856256485,52.3666000366211,0.8843874335289,2.66898036003113,0.0,64.6439895629883,3.23304295539856,-0.0340497530996799,0.146474793553352,0.0627593323588371,68.2649993896484,1124.14001464844,2.14196872711182,0.0,64.4783782958984,4.23780965805054,5.0,1.27649462223053,-0.0257586054503918,0.0,11.6201581954956,1.17305469512939,0.0,7.01424360275269,0.456724375486374
InChI%3D1S%2FC9H12NO5PS%2Fc1-7-6-8%284-5-9%287%2910%2811%2912%2915-16%2817%2C13-2%2914-3%2Fh4-6H%2C1-3H3,3.5762243270874,1.5,1.65096366405487,1.22706735134125,1.65096366405487,0.5,233.0,5.85380077362061,2.21410799026489,103.730003356934,0.470208436250687,33.0105018615723,0.0480260848999023,2.25105738639832,2.36193585395813,4.47626686096191,0.825481832027435,-0.380379468202591,32.4600944519043,0.866260826587677,1.68820190429688,0.0,41.1643333435059,2.09586048126221,0.348315328359604,0.0446354746818542,-0.233015611767769,37.6506958007812,569.080017089844,1.16360104084015,1.0,31.6485385894775,1.83601915836334,2.0,0.720294833183289,-0.00694260140880942,0.0,6.25,0.232307806611061,0.0,4.0,0.155437618494034
InChI%3D1S%2FC11H21NOS%2Fc1-3-12%2811%2813%2914-4-2%2910-8-6-5-7-9-10%2Fh10H%2C3-9H2%2C1-2H3,1.4800351858139,0.0,7.47801208496094,0.332189947366714,0.5,0.0,166.0,5.72054958343506,0.930532336235046,45.6100006103516,0.206883445382118,21.2622108459473,0.0912870913743973,1.62101149559021,1.17348229885101,3.62861251831055,0.0,-0.173496082425117,18.1702175140381,0.787467896938324,1.89332687854767,1.0,24.3916702270508,2.82641243934631,0.13592617213726,0.0456435456871986,-0.0589711889624596,22.8344020843506,1043.03002929688,1.89902973175049,0.0,23.670093536377,0.538451671600342,1.0,0.932142496109009,-0.0123607590794563,0.0,6.47750854492188,0.164266422390938,0.0,3.59183669090271,0.0589255653321743
InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H,0.0,0.0,0.0,1.4578629732132,0.0,0.0,9.0,0.0,0.0,0.0,0.129209727048874,62.6835975646973,0.0,0.0,0.0,0.0,0.0,-0.09635528922081,12.5561504364014,0.57229346036911,0.0,0.0,47.9866561889648,0.0,0.031750425696373,0.0,0.0,0.0,4.03000020980835,0.0,0.0,0.0,0.577350258827209,0.0,0.0,0.0,0.0,1.33333337306976,0.0,0.0,,0.0
InChI%3D1S%2FC6H3Cl4N%2Fc7-5-3-1-2-4%2811-5%296%288%2C9%2910%2Fh1-3H,2.21394371986389,0.0,2.38110160827637,1.90415191650391,0.5,0.0,89.0,3.30192732810974,1.43480038642883,,0.240633562207222,42.2110023498535,0.248977497220039,1.4123170375824,0.0,1.79692077636719,0.0,-0.139710411429405,19.1393203735352,0.622553586959839,1.61534452438354,0.0,49.8860397338867,1.04569065570831,-0.0379353202879429,0.035155788064003,0.115531235933304,30.2516899108887,86.0500030517578,0.757674813270569,0.0,24.613899230957,1.7990380525589,0.0,0.24280709028244,-0.0812270641326904,0.0,3.1640625,0.433012694120407,0.0,2.5,0.125
InChI%3D1S%2FC10H18N4O4S3%2Fc1-7%2819-5%2911-17-9%2815%2913%283%2921-14%284%2910%2816%2918-12-8%282%2920-6%2Fh1-6H3,3.20057320594788,0.16666667163372,0.0,1.16998076438904,1.17598414421082,0.16666667163372,416.0,0.0,1.66264796257019,159.699996948242,0.605052053928375,43.9210891723633,0.0912870913743973,1.13448333740234,5.14380168914795,3.97332954406738,1.15470051765442,-0.452640533447266,34.3384819030762,0.823184490203857,0.998708009719849,3.0,44.6973533630371,1.43757474422455,0.20611684024334,0.0,-0.0712106227874756,46.1549682617188,1024.10998535156,0.721085786819458,0.0,33.7734718322754,1.52015936374664,2.0,0.427973181009293,0.17953260242939,0.0,11.5520000457764,0.333333343267441,0.0,9.58579921722412,0.0
InChI%3D1S%2FC8H8O3%2Fc1-11-8%2810%296-4-2-3-5-7%286%299%2Fh2-5%2C9H%2C1H3,1.5687084197998,0.0,3.96540641784668,0.17838516831398,2.38110160827637,0.25,99.0,5.55315780639648,0.367900490760803,46.5299987792969,0.340864390134811,13.3234071731567,0.0306620299816132,0.404318660497665,1.04004192352295,1.30935895442963,0.70710676908493,-0.202411592006683,12.3283681869507,0.826429426670074,0.365237325429916,0.0,16.1028366088867,0.756208419799805,0.106573946774006,0.0263114888221025,-0.161003842949867,16.6567363739014,251.029998779297,0.424472123384476,0.0,13.2093982696533,0.607487261295319,1.0,0.131597489118576,0.117230847477913,0.0,4.13265323638916,0.19245009124279,1.0,2.21453285217285,0.131445854902267
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H,0.0,0.0,0.0,0.841697573661804,0.0,0.0,9.0,0.0,0.0,0.0,0.146240457892418,27.1382598876953,0.0,0.0,0.0,0.0,0.0,-0.109680347144604,8.85521221160889,0.65023946762085,0.0,0.0,26.1382598876953,0.0,0.0365601144731045,0.0,0.0,0.0,4.03000020980835,0.0,0.0,0.0,0.577350258827209,0.0,0.0,0.0,0.0,1.33333337306976,0.0,0.0,,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%29,3.43296551704407,0.0,3.12415194511414,0.870458662509918,2.60639142990112,0.5,306.0,7.8993673324585,1.23224484920502,106.349998474121,0.347420930862427,28.1166439056396,0.0830857455730438,1.48014712333679,2.90183520317078,3.15368890762329,0.0,-0.224305689334869,29.893159866333,0.589676976203918,1.45091581344604,0.0,38.7982025146484,2.12812280654907,0.152023047208786,0.0762082859873772,-0.183246836066246,37.8885307312012,814.070007324219,1.27753162384033,0.0,34.2134399414062,2.26496386528015,2.0,0.815415441989899,0.144401669502258,0.0,6.18549346923828,0.348461717367172,0.0,4.23140478134155,0.309195280075073
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%2C1-4H3,5.19197750091553,0.0,0.0,1.16746771335602,15.1628198623657,0.16666667163372,315.0,4.05879878997803,1.84358870983124,,0.857136726379395,46.6746520996094,0.169986292719841,2.78801798820496,8.76601886749268,4.34520292282104,0.0,-0.430049121379852,35.5846214294434,0.974239230155945,3.97697925567627,2.0,55.6983947753906,3.13783168792725,-0.0663617625832558,0.03891396895051,0.26993465423584,59.3024444580078,1081.09997558594,2.4225537776947,0.0,78.2380828857422,3.19125032424927,2.0,1.64914071559906,-0.124661579728127,0.0,9.27392292022705,0.822137475013733,0.0,5.48960304260254,0.133322894573212
InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H,3.64273452758789,0.0,0.0,1.30930733680725,9.1254653930664,0.0,102.0,0.0,4.48108768463135,0.0,0.298728197813034,58.2765197753906,0.857142865657806,6.42127370834351,0.0,5.8567099571228,0.0,3.46944695195361e-18,23.7104244232178,0.530963182449341,9.34938430786133,0.0,41.4208488464355,3.38137316703796,-0.149364098906517,0.251976311206818,-0.0746820494532585,90.6973724365234,192.059997558594,1.95223665237427,0.0,69.986946105957,1.15470051765442,0.0,0.998824298381805,-3.46944695195361e-18,0.0,3.3950617313385,0.666666686534882,0.0,1.5625,0.222222223877907
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%29,3.59075164794922,0.0,8.24514579772949,0.988576531410217,6.71446418762207,0.25,478.0,14.9977378845215,2.31317949295044,,0.37355563044548,39.1094207763672,0.241781085729599,3.3968391418457,2.43554353713989,6.12692928314209,0.0,-0.308638036251068,31.7864189147949,0.705205738544464,3.8081693649292,1.0,49.5980377197266,4.58054256439209,0.294597148895264,0.375352025032043,-0.258606433868408,48.5722770690918,1610.06005859375,3.05255317687988,0.0,46.444953918457,1.5705144405365,1.0,1.60999727249146,0.110896676778793,0.078567422926426,7.92000007629395,0.367893666028976,1.0,4.15879011154175,0.63140082359314
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%29,1.40924251079559,0.0,0.16666667163372,0.150623053312302,1.65096366405487,0.25,174.0,2.2941734790802,0.224165916442871,110.559997558594,0.561537504196167,17.7633590698242,0.0111803403124213,0.223265647888184,1.38959658145905,1.00571620464325,0.40824830532074,-0.271026283502579,15.5468530654907,0.754280507564545,0.162394344806671,0.0,18.6816806793213,0.526973247528076,0.0140708051621914,0.0,-0.213020637631416,19.9307346343994,347.070007324219,0.200148522853851,0.0,21.285530090332,0.6910440325737,0.0,0.0807488411664963,0.333767771720886,0.0,8.31999969482422,0.117851130664349,2.0,6.1875,0.0
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%2C1-2H3,3.72806739807129,0.0,8.69190216064453,1.06573784351349,1.53261888027191,0.100000001490116,262.0,12.3619976043701,1.93594992160797,40.4599990844727,0.112190566956997,18.5489387512207,0.333333343267441,2.15356278419495,2.52982211112976,3.17798519134521,0.0,-0.0363869480788708,18.6641845703125,0.53996217250824,2.17992687225342,0.0,27.3283672332764,1.92286026477814,-0.0228597111999989,0.0526229776442051,0.000379105564206839,27.3283672332764,884.02001953125,1.19927704334259,0.0,20.6641845703125,1.77670896053314,0.0,0.683928191661835,0.0169616639614105,0.0,5.32544374465942,0.622008442878723,2.0,3.0625,0.25
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%29,1.51184463500977,0.0,0.0,0.791864573955536,3.39504766464233,0.0,181.0,0.0,0.606863439083099,88.1999969482422,0.357147037982941,24.5126934051514,0.0,0.84347414970398,5.71476173400879,1.75650143623352,0.0,-0.330898225307465,18.6135902404785,0.99538516998291,0.767728567123413,0.0,28.0692024230957,1.32265496253967,0.350153028964996,0.0365953594446182,-0.387172669172287,22.7315120697021,879.059997558594,0.715730845928192,0.0,27.7362632751465,1.51341998577118,0.0,0.528456151485443,0.27184471487999,0.0,5.91499996185303,0.0,0.0,5.03999996185303,0.164266422390938
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%2C1-2H3,4.28947687149048,0.200000002980232,12.9015808105469,2.54304909706116,7.59643507003784,0.0,680.0,18.8104515075684,2.83225297927856,59.3199996948242,0.536445260047913,117.199577331543,0.213089123368263,3.18116474151611,3.7276782989502,5.32317113876343,0.534522473812103,-0.258158951997757,43.1319961547852,0.754033982753754,4.53275346755981,0.0,98.1608352661133,3.59800577163696,-0.00556599581614137,0.958907663822174,0.081038810312748,54.6780128479004,1645.06005859375,2.79886937141418,0.0,67.4264526367188,2.51029205322266,1.0,1.34226477146149,-0.149652361869812,0.496193736791611,9.87128162384033,0.365450888872147,0.0,5.79561042785645,1.35620033740997
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%2C1-2H3,4.8773980140686,0.0,3.58146524429321,0.641170024871826,6.08364343643188,1.44224953651428,322.0,7.89949941635132,1.29876804351807,97.5400009155273,0.491315126419067,33.0439605712891,0.14286008477211,1.8911052942276,1.8851683139801,3.28121733665466,0.0,-0.188489630818367,28.9563312530518,0.838267922401428,2.38339185714722,0.0,45.7906455993652,2.40479063987732,0.0322883389890194,0.0436439104378223,-0.0117731476202607,50.0554466247559,1129.10998535156,1.59360158443451,0.0,63.384033203125,2.86796498298645,4.0,0.937587320804596,0.0456072092056274,0.0,9.08734703063965,0.87089216709137,0.0,5.25,0.146608799695969
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%2C1-2H3,4.3177433013916,0.5,4.28426074981689,2.5055718421936,4.24264049530029,0.25,283.0,8.50282955169678,4.90544033050537,,0.626493692398071,40.3637847900391,0.079460509121418,4.91610479354858,1.23442685604095,8.28730201721191,0.666666686534882,-0.464217036962509,40.1371078491211,0.806312084197998,3.25735235214233,1.0,55.0812911987305,4.34345674514771,0.44041919708252,0.149904772639275,-0.508147478103638,49.0133743286133,682.080017089844,2.91153860092163,1.0,40.2656517028809,1.71992516517639,2.0,2.15002489089966,0.384630620479584,0.0641500279307365,6.18549346923828,0.36982524394989,0.0,3.02958583831787,0.624990701675415
InChI%3D1S%2FC6H7NO%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4%2C8H%2C7H2,0.81649661064148,0.0,3.30192732810974,0.17076064646244,0.333333343267441,0.0,58.0,5.65685415267944,0.197177410125732,46.25,0.0707517489790916,9.13445663452148,0.0,0.155508920550346,0.0,0.893088161945343,0.0,-0.0212392676621675,8.49827766418457,0.683557331562042,0.163530826568604,0.0,10.9965543746948,0.474321842193604,-0.00484593026340008,0.0284601077437401,-0.00194008101243526,7.99655437469482,169.020004272461,0.308288514614105,0.0,2.49827718734741,0.577350258827209,0.0,0.0569202154874802,-0.026567917317152,0.0,2.51999998092651,0.0,1.0,1.79999995231628,0.16666667163372
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%2C1H3,2.61252236366272,0.0,2.9685697555542,0.646127700805664,4.42733764648438,0.200000002980232,246.0,8.82600879669189,1.37785613536835,,0.512093722820282,33.5239028930664,0.135417431592941,2.3014349937439,0.90000730752945,3.47922301292419,0.63245552778244,-0.327829599380493,25.1182308197021,0.70807957649231,2.72827172279358,1.0,39.7356758117676,2.80981612205505,0.0792026743292809,0.294904977083206,0.179964393377304,39.1227722167969,512.059997558594,1.77165150642395,0.0,42.0643920898438,1.17394018173218,2.0,1.07084047794342,-0.339133769273758,0.078567422926426,5.76000022888184,0.275708943605423,0.0,2.87970614433289,0.564138054847717
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%2C1-3H3,3.23993349075317,0.16666667163372,4.15956974029541,0.567105054855347,4.25141477584839,0.200000002980232,256.0,9.96413612365723,1.17084240913391,,0.697533071041107,23.8178520202637,0.120946258306503,1.79791593551636,4.62200880050659,3.13614439964294,1.09204828739166,-0.454382598400116,24.0172805786133,0.720990002155304,2.12799715995789,0.0,33.7606239318848,2.27128291130066,-0.00527224410325289,0.0876165553927422,0.303887844085693,36.3140907287598,1141.06005859375,1.29280471801758,0.0,38.8714981079102,1.30111408233643,2.0,0.69880086183548,-0.180739358067513,0.117851130664349,7.31985712051392,0.414325267076492,0.0,3.62130188941956,0.321975260972977
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%29,4.62356662750244,0.0,6.93297576904297,1.19112622737885,4.83240985870361,0.142857149243355,306.0,8.69058513641357,2.42541885375977,52.8199996948242,0.254031389951706,36.3344345092773,0.249260321259499,2.76627659797668,1.13216090202332,4.62678146362305,0.0,-0.0880661234259605,24.9000301361084,0.804376721382141,2.79258990287781,0.0,38.8552474975586,2.782062292099,-0.0435420349240303,0.198461979627609,-0.00631338218227029,54.7174377441406,1027.05004882812,1.86355423927307,0.0,35.388484954834,1.79397916793823,0.0,0.898856818675995,-0.0152223883196712,0.0,6.18549346923828,0.734156131744385,2.0,3.36596059799194,0.345369756221771
InChI%3D1S%2FC8H10O%2Fc1-6-3-4-8%289%295-7%286%292%2Fh3-5%2C9H%2C1-2H3,1.47827804088593,0.0,1.65096366405487,0.363210737705231,1.65096366405487,0.0,67.0,5.85380077362061,0.69114488363266,20.2299995422363,0.0577729977667332,9.77446937561035,0.0833333358168602,0.549603521823883,3.14734530448914,1.49049186706543,0.0,-0.0197718162089586,9.33209228515625,0.680061638355255,0.577073276042938,0.0,12.6641836166382,0.725598752498627,-0.0144942896440625,0.0588708110153675,0.00738464342430234,10.6641836166382,289.010009765625,0.430706411600113,0.0,4.66418409347534,0.760079681873322,0.0,0.136375516653061,0.00387056428007782,0.0,2.72222232818604,0.16666667163372,1.0,1.70414197444916,0.20412415266037
InChI%3D1S%2FC8H14O4%2Fc1-5-4-8%2811-6%282%299%2912-7%283%2910-5%2Fh5%2C7-8H%2C4H2%2C1-3H3,1.25592231750488,1.19055080413818,0.0,0.414266437292099,2.38110160827637,0.0,114.0,2.30940103530884,0.464261829853058,44.7599983215332,0.582213878631592,15.0978765487671,0.0,0.732688903808594,4.44007921218872,1.58915197849274,0.825481832027435,-0.398548871278763,14.3246440887451,0.728322267532349,0.645101487636566,0.0,20.9801425933838,1.2160941362381,0.249255999922752,0.0546201802790165,-0.252439826726913,14.9925518035889,544.039978027344,0.584344267845154,0.0,15.2093982696533,1.18972265720367,1.0,0.368961304426193,0.194190248847008,0.0,4.296875,0.0,0.0,3.515625,0.184195280075073
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%29,1.99129748344421,0.0,3.30192732810974,0.547590792179108,0.965489387512207,0.0,189.0,6.29469060897827,0.777153849601746,41.5699996948242,0.343046694993973,59.5270042419434,0.0186339002102613,0.640596330165863,1.3811993598938,2.18402051925659,0.333333343267441,-0.201913923025131,21.5350666046143,0.788285791873932,0.700585782527924,0.0,31.9350109100342,1.08266484737396,-0.0171118266880512,0.0684433579444885,0.130103036761284,30.9622116088867,443.049987792969,0.794103801250458,0.0,19.6457843780518,0.964203774929047,1.0,0.357253581285477,-0.0985023230314255,0.0,5.77777767181396,0.16666667163372,0.0,3.96000003814697,0.142258897423744
InChI%3D1S%2FC13H11N3%2Fc14-10-3-1-8-5-9-2-4-11%2815%297-13%289%2916-12%288%296-10%2Fh1-7H%2C14-15H2,2.49744319915771,0.0,6.71303987503052,0.488216191530228,5.5365195274353,0.0,226.0,16.7830562591553,0.835825800895691,,0.107339143753052,17.079963684082,0.0430331490933895,1.06333565711975,0.0,2.660893201828,0.0,-0.0393045656383038,18.6647415161133,0.991508066654205,1.33825814723969,0.0,27.3294811248779,1.85645461082458,-0.0116993337869644,0.114339932799339,-0.0403198376297951,26.4956665039062,601.030029296875,1.37801265716553,0.0,19.3847179412842,1.24401688575745,0.0,0.744451701641083,0.0541238822042942,0.0,4.34911251068115,0.16666667163372,0.0,2.20415234565735,0.485667705535889
InChI%3D1S%2FC7H16N%2Fc1-8%282%296-4-3-5-7-8%2Fh3-7H2%2C1-2H3,1.20710682868958,0.0,6.08364343643188,1.70710682868958,0.0,0.0,52.0,0.0,1.70710682868958,,0.113983675837517,8.35998821258545,0.0,2.06066012382507,0.0,2.91421365737915,0.0,-0.0817670300602913,8.66474056243896,0.494674324989319,1.70710682868958,0.0,11.3323707580566,2.06066012382507,0.0183147843927145,0.25,0.00603675283491611,7.16618537902832,520.010009765625,1.45710682868958,0.0,2.0,1.20710682868958,0.0,0.5,0.000423653342295438,0.0,2.08264470100403,0.0,0.0,1.79999995231628,0.176776692271233
InChI%3D1S%2FC2H2Cl4%2Fc3-1%284%292%285%296%2Fh1-2H,1.33333337306976,0.0,0.0,0.857142865657806,1.0,0.0,24.0,0.0,1.94381725788116,0.0,0.20918470621109,36.8510131835938,0.551020383834839,0.0,0.0,1.71428573131561,0.0,-0.0697282329201698,12.8069496154785,0.564376294612885,0.0,0.0,29.2324562072754,0.0,-0.104592353105545,0.0,0.0697282329201698,34.8510131835938,19.0400009155273,0.0,0.0,0.0,0.666666686534882,0.0,0.0,0.0,0.0,2.22222232818604,0.333333343267441,0.0,3.0,0.0
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%2C1-2H3,4.28947687149048,0.200000002980232,12.9015808105469,1.80074167251587,7.59643507003784,0.0,680.0,18.8104515075684,2.40368151664734,59.3199996948242,0.558789670467377,46.1089019775391,0.213089123368263,2.63956999778748,3.7276782989502,5.04648208618164,0.534522473812103,-0.271676242351532,35.7301216125488,0.751866400241852,3.07159948348999,0.0,55.2136192321777,3.29991459846497,-0.000114276852400508,0.635506510734558,0.0854881331324577,47.2761383056641,1645.06005859375,2.28256034851074,0.0,52.6226997375488,2.51029205322266,1.0,1.07736527919769,-0.148586750030518,0.496193736791611,9.87128162384033,0.365450888872147,0.0,5.79561042785645,1.35620033740997
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%2C1-3H3,3.81979632377625,0.0,4.35397911071777,1.84972977638245,2.10257887840271,0.0,305.0,8.45763683319092,1.87243902683258,60.1699981689453,0.418490797281265,30.3416557312012,0.258731633424759,1.86849462985992,3.04879641532898,3.476322889328,0.333333343267441,-0.232851639389992,25.1389274597168,0.803851842880249,2.107017993927,0.0,37.5021171569824,2.07447123527527,-0.0349109284579754,0.0746473297476768,0.091221734881401,35.7742614746094,1469.06005859375,1.34212267398834,0.0,32.7127952575684,2.32824087142944,0.0,0.743900299072266,-0.0585300773382187,0.144337564706802,6.84000015258789,0.636082768440247,1.0,4.4963264465332,0.249296993017197
InChI%3D1S%2FC5H10N2O2S%2Fc1-4%2810-3%297-9-5%288%296-2%2Fh1-3H3%2C%28H%2C6%2C8%29,0.98559856414795,0.0,0.0,0.314686119556427,0.333333343267441,0.0,96.0,0.0,0.444746911525726,79.4800033569336,0.279083609580994,18.3966674804688,0.0,0.195091232657433,2.21041893959045,1.40790450572968,0.5,-0.215917870402336,14.0557765960693,0.92638772726059,0.135339453816414,1.0,16.3291130065918,0.294998288154602,0.0902719870209694,0.0,0.0347242802381516,13.6323146820068,271.049987792969,0.167138949036598,0.0,8.66633987426758,0.577350258827209,0.0,0.0954124182462692,-0.0830821320414543,0.0,5.76000022888184,0.0,1.0,5.53086423873901,0.0
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%2C1-2H3,3.80316400527954,0.5,4.11402320861816,2.45992827415466,2.38110160827637,0.0,306.0,6.5518536567688,4.74324178695679,130.029998779297,0.504751443862915,40.3092918395996,0.0501469224691391,4.57761096954346,0.863054394721985,8.13727188110352,0.333333343267441,-0.357576221227646,40.5249900817871,0.93858164548874,2.79526042938232,,54.220458984375,4.12775993347168,0.293909937143326,0.0595027692615986,-0.354140281677246,48.3471717834473,814.090026855469,2.71691417694092,,37.1948661804199,1.58864283561707,1.0,1.82020795345306,0.258502542972565,0.0,6.63520431518555,0.242833852767944,0.0,3.55555558204651,0.280444771051407
InChI%3D1S%2FC11H23NOS%2Fc1-6-14-11%2813%2912%287-9%282%293%298-10%284%295%2Fh9-10H%2C6-8H2%2C1-5H3,1.44837236404419,0.0,0.94494080543518,1.04010343551636,0.908560276031494,0.0,142.0,3.91332173347473,0.913992822170258,45.6100006103516,0.208113744854927,21.2622108459473,0.0559016987681389,1.32603025436401,4.93842363357544,2.49090623855591,0.0,-0.177168428897858,17.1702175140381,0.759527564048767,1.81865477561951,1.0,23.2254848480225,1.89851129055023,0.144861578941345,0.0,-0.0708579793572426,20.1667728424072,1114.03002929688,1.3264023065567,0.0,21.5020313262939,1.21886551380157,1.0,0.772484064102173,-0.00427625421434641,0.0,7.3125,0.117851130664349,0.0,7.03999996185303,0.0
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%2C1-3H3,5.07971811294556,0.0,1.02598559856415,1.09606504440308,15.1628198623657,0.0,346.0,7.61990022659302,1.70890617370605,,0.971291303634644,41.9068870544434,0.152135610580444,2.67664432525635,6.76752805709839,4.59855556488037,0.5,-0.551568448543549,34.9095115661621,0.880534887313843,3.63026452064514,1.0,56.8059005737305,3.59945678710938,-0.0241425950080156,0.107379287481308,0.236136689782143,55.9631538391113,1286.09997558594,2.37747883796692,0.0,73.9738082885742,3.12221479415894,1.0,1.67750775814056,-0.121181078255177,0.144337564706802,9.0,0.799125611782074,0.0,5.09342575073242,0.229547947645187
InChI%3D1S%2FC6H3N3O6%2Fc10-7%2811%294-1-5%288%2812%2913%293-6%282-4%299%2814%2915%2Fh1-3H,0.40824830532074,0.0,1.5,0.0456435456871986,1.5,3.1143274307251,147.0,6.2402515411377,0.0456435456871986,102.419998168945,0.178043529391289,20.7267780303955,0.0,0.0,0.0,0.193349167704582,0.0,0.0247188322246075,18.8193511962891,0.493672311306,0.0,0.0,26.3130702972412,0.0,0.0253361593931913,0.0,-0.00217214855365455,25.9822158813477,114.089996337891,0.0,0.0,23.5636234283447,0.40824830532074,6.0,0.0,-0.204676657915115,0.0,5.36507940292358,0.0,0.0,3.5,0.0
InChI%3D1S%2FC4H7Cl2O4P%2Fc1-8-11%287%2C9-2%2910-3-4%285%296%2Fh3H%2C1-2H3,2.12078189849854,1.5,0.0,0.553819298744202,0.0,0.0,94.0,1.0,0.504617691040039,54.5699996948242,0.62253075838089,35.1737976074219,0.0,0.386088639497757,0.400000005960464,1.21125984191895,1.5,-0.606948912143707,24.6407566070557,0.73873770236969,0.272350877523422,0.0,34.3316535949707,0.517270445823669,0.545852959156036,0.0,-0.253500878810883,22.4316387176514,179.070007324219,0.284269422292709,1.0,22.2203903198242,1.33502495288849,1.0,0.146458253264427,-0.153742998838425,0.0,4.79289960861206,0.0,0.0,4.44444465637207,0.0
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%29,6.66292095184326,0.0,18.7284889221191,1.96494150161743,2.6993362903595,0.0,923.0,20.1678562164307,1.99808990955353,,0.735583603382111,45.4522171020508,0.0714285746216774,1.90088188648224,1.35937869548798,5.05960083007812,0.0,-0.513915777206421,41.8478088378906,0.81115710735321,1.75991356372833,0.0,68.5800476074219,2.97998738288879,0.177283003926277,0.12972991168499,0.0135939018800855,59.6956214904785,2174.10009765625,2.0638587474823,0.0,48.4770889282227,5.04432916641235,0.0,1.10510015487671,-0.0489122979342937,0.0,12.69753074646,0.866025388240814,0.0,10.0017232894897,0.396553069353104
InChI%3D1S%2FP4%2Fc1-2-3%281%294%281%292,0.0,0.0,0.0,12.960000038147,0.0,0.0,12.0,0.0,0.0,,0.0,26.601655960083,0.0,0.0,0.0,38.8800010681152,0.0,0.0,39.9024810791016,0.898494958877563,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.0400009155273,0.0,0.0,0.0,0.444444447755814,0.0,0.0,0.0,0.0,0.0833333358168602,0.0,0.0,0.015625,0.0
InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2,0.0,0.0,2.38110160827637,0.0,0.0,0.0,24.0,0.0,0.0,0.0,0.0772592276334763,20.4255065917969,0.0,0.0,0.0,0.534522473812103,0.0,-0.0332078598439693,7.90347480773926,0.919496953487396,0.0,0.0,6.90347480773926,0.303045749664307,0.0113530382514,0.0,-0.0365978591144085,5.90347480773926,44.0200004577637,0.0,0.0,8.71275329589844,0.0,0.0,0.0,0.0198230687528849,0.0,4.0,0.0,0.0,4.0,0.0
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%29,13.4904747009277,6.05961799621582,13.1667699813843,3.23596811294556,0.0,0.607379555702209,2548.0,45.442325592041,6.3322696685791,,2.11632251739502,75.2025527954102,0.592726051807404,9.326904296875,29.6177463531494,14.2921676635742,4.11645174026489,-1.07766318321228,78.3025741577148,0.8819180727005,11.4996032714844,0.0,121.437301635742,10.8400774002075,-0.0454118326306343,0.504789769649506,-0.134347945451736,143.1455078125,16417.150390625,7.5932936668396,0.0,151.914642333984,5.96148014068604,1.0,4.62508964538574,0.215791299939156,0.0833333358168602,21.9657135009766,1.60626041889191,3.0,11.4667711257935,1.31107461452484
InChI%3D1S%2FC7H5N3O6%2Fc1-4-6%289%2813%2914%292-5%288%2811%2912%293-7%284%2910%2815%2916%2Fh2-3H%2C1H3,3.47864675521851,0.0,0.5,0.440438449382782,3.53277564048767,3.1143274307251,158.0,5.11154460906982,0.878476858139038,102.419998168945,0.17491489648819,21.7267780303955,0.0984888970851898,0.983613908290863,2.0,1.94183719158173,0.0,0.0169459618628025,19.8193511962891,0.495629847049713,1.05387628078461,0.0,28.3130702972412,1.15422284603119,0.0294029656797647,0.0487841814756393,0.0129863806068897,30.3145866394043,201.089996337891,0.676073610782623,0.0,29.8919906616211,1.63128232955933,6.0,0.311330437660217,-0.214661285281181,0.0,5.55765581130981,0.595967054367065,0.0,3.25,0.151780605316162
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%2C1-4H3,2.50548505783081,0.0,4.64519691467285,1.03424668312073,6.38240623474121,0.25,412.0,13.5262975692749,1.66449368000031,81.0299987792969,0.404798656702042,30.8111476898193,0.0644884407520294,2.72431468963623,4.58241033554077,4.98520183563232,0.400000005960464,-0.0324551537632942,27.0554981231689,0.812572479248047,2.91651368141174,1.0,35.5004615783691,4.0403413772583,-0.121960677206516,0.0843168050050735,-0.177381709218025,35.9912605285645,2139.05004882812,2.33313965797424,0.0,42.7083549499512,1.24198162555695,2.0,1.68657195568085,0.0492611974477768,0.0,10.7142858505249,0.212690398097038,0.0,6.57439422607422,0.182469829916954
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%2C1-7H3,2.8051815032959,0.0833333358168602,7.21301317214966,1.58550930023193,1.57367265224457,0.0,486.0,7.7428503036499,1.66695773601532,35.5299987792969,0.437928080558777,24.3234062194824,0.0,1.53779053688049,5.29394674301147,3.64492082595825,0.40824830532074,-0.264170497655869,22.6604595184326,0.956989407539368,0.939179301261902,0.0,30.0991134643555,2.08273434638977,0.0441020168364048,0.0,0.0228212457150221,25.3283672332764,2563.03002929688,1.06205248832703,0.0,25.3246440887451,2.48138046264648,1.0,0.934358060359955,-0.031683687120676,0.0,11.5226335525513,0.0,0.0,13.1944446563721,0.0
InChI%3D1S%2FC9H11ClN2O%2Fc1-12%282%299%2813%2911-8-5-3-7%2810%294-6-8%2Fh3-6H%2C1-2H3%2C%28H%2C11%2C13%29,1.99129748344421,0.0,3.30192732810974,0.541565895080566,0.965489387512207,0.0,157.0,6.29469060897827,0.673308968544006,32.3400001525879,0.261200189590454,22.2071990966797,0.0456435456871986,0.459647655487061,1.56827390193939,1.75364923477173,0.0,-0.227284252643585,16.1147556304932,0.756276845932007,0.55603301525116,0.0,22.7027645111084,0.89448881149292,0.191924899816513,0.0453859269618988,-0.0961920469999313,20.730676651001,420.040008544922,0.660433828830719,0.0,13.1144771575928,1.0618349313736,1.0,0.272253513336182,-0.00862500723451376,0.0,5.02422142028809,0.235702261328697,0.0,3.70370364189148,0.142258897423744
InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.104592353105545,18.4255065917969,0.0,0.0,0.0,0.0,0.0,-0.0697282329201698,5.90347480773926,0.667447984218597,0.0,0.0,8.71275329589844,0.0,0.0174320582300425,0.0,0.0,0.0,10.0200004577637,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0
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%2C1-2H3,4.22742748260498,1.5,0.908560276031494,0.804750144481659,5.08567523956299,0.0,260.0,8.04132747650146,1.72501111030579,54.5699996948242,0.666208922863007,58.5993041992188,0.171398758888245,1.88407516479492,1.71603500843048,3.59411907196045,1.5,-0.596909403800964,37.5442314147949,0.78622442483902,2.41619873046875,0.0,50.7096786499023,2.09565162658691,0.544003784656525,0.0812850072979927,-0.2851822078228,63.0693283081055,442.089996337891,1.43395364284515,1.0,62.7333717346191,1.93663287162781,1.0,0.720889091491699,-0.0866011530160904,0.0,7.13580226898193,0.330933094024658,0.0,4.23140478134155,0.198741674423218
InChI%3D1S%2FC8H10O%2Fc1-6-4-3-5-7%282%298%286%299%2Fh3-5%2C9H%2C1-2H3,1.73396909236908,0.0,2.38110160827637,0.344576835632324,2.38110160827637,0.0,63.0,4.58575630187988,0.616456806659698,20.2299995422363,0.0539319403469563,9.77446937561035,0.0645497217774391,0.658118009567261,3.30192732810974,1.43949389457703,0.0,-0.0224312208592892,9.33209228515625,0.742395997047424,0.579869508743286,0.0,12.6641836166382,0.805660843849182,0.00621890975162387,0.0588708110153675,-0.0118222991004586,12.3283681869507,289.010009765625,0.366929084062576,0.0,4.33209180831909,0.663854598999023,0.0,0.165854141116142,0.00106863863766193,0.0,2.72222232818604,0.272165536880493,1.0,1.4693877696991,0.20412415266037
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%2C1-5H3,4.85551023483276,0.16666667163372,0.333333343267441,2.20462489128113,6.86643552780151,0.0,350.0,6.50159645080566,2.1981954574585,,0.537991583347321,40.4688911437988,0.283064633607864,2.45004916191101,7.28521108627319,3.63718104362488,0.577350258827209,-0.350719213485718,29.422477722168,0.828353345394135,2.89425873756409,0.0,47.8993873596191,2.43437957763672,0.10136341303587,0.13613785803318,0.00276576145552099,51.720890045166,1387.06994628906,1.6330189704895,0.0,54.5051040649414,3.06455016136169,1.0,0.932654917240143,-0.052063200622797,0.096225045621395,6.85714292526245,0.798869490623474,0.0,4.30839014053345,0.529612004756927
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%2C22H2,7.09564399719238,0.0,0.721124768257141,1.31652355194092,8.22002506256104,0.0,455.0,7.67534255981445,2.51486754417419,,0.949873328208923,58.7799453735352,0.309225648641586,3.62379121780396,0.0,4.86111354827881,0.0,-0.364611893892288,41.481071472168,0.854901134967804,4.34251403808594,0.0,77.2592468261719,3.59393405914307,-0.0919504836201668,0.226470544934273,0.177783161401749,77.9726333618164,575.140014648438,2.21415400505066,0.0,86.0867233276367,4.2318811416626,1.0,1.25060284137726,-0.412363022565842,0.078567422926426,7.78799343109131,1.38933706283569,0.0,4.54321002960205,0.583555698394775
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%29,6.42000913619995,0.333333343267441,3.48490142822266,0.88196462392807,8.71950435638428,0.25,867.0,13.0609283447266,1.27839088439941,83.6399993896484,1.34256958961487,55.5469589233398,0.0984628722071648,1.45984244346619,0.0,3.57955932617188,0.428972601890564,-0.888852179050446,42.2633094787598,0.477200388908386,1.49765920639038,0.0,73.8060455322266,2.23681163787842,0.337180703878403,0.0780694037675858,-0.0583386234939098,73.2384414672852,772.150024414062,1.30607664585114,0.0,77.2206039428711,4.52864742279053,0.0,0.602151036262512,-0.213429600000381,0.0,11.6201581954956,0.846352696418762,2.0,8.62809944152832,0.339632898569107
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%29,0.577350258827209,0.0,25.3299427032471,0.144337564706802,0.0500000007450581,0.0,812.0,3.79973816871643,0.102062076330185,135.830001831055,0.274783402681351,27.5199165344238,0.0,0.0721687823534012,0.0,4.19156122207642,0.0,-0.218885973095894,25.6618518829346,0.84510213136673,0.0510310381650925,0.0,27.8246688842773,2.73532772064209,0.112157717347145,0.0,-0.0243804603815079,23.3294811248779,3625.07006835938,1.77255725860596,0.0,22.3294811248779,0.81649661064148,0.0,1.13911056518555,-0.0056712687946856,0.0,20.3136005401611,0.0,0.0,24.0,0.0
InChI%3D1S%2FC6H11NO%2Fc8-6-4-2-1-3-5-7-6%2Fh1-5H2%2C%28H%2C7%2C8%29,0.40824830532074,0.0,5.84190702438354,0.0707106813788414,0.0,0.0,53.0,2.44179677963257,0.100000001490116,,0.149716675281525,9.13445663452148,0.0,0.106066018342972,0.0,1.35281479358673,0.0,-0.0923533365130424,8.66446208953857,0.443181872367859,0.100000001490116,0.0,10.2179288864136,0.858864784240723,0.0312913693487644,0.0,-0.00867316219955683,9.99655437469482,305.019989013672,0.538210809230804,0.0,2.66418385505676,0.288675129413605,0.0,0.341227769851685,-0.00512320687994361,0.0,3.11111116409302,0.0,1.0,2.22222232818604,0.0
InChI%3D1S%2FC7H7Cl3NO3PS%2Fc1-12-15%2816%2C13-2%2914-7-5%289%293-4%288%296%2810%2911-7%2Fh3H%2C1-2H3,3.75468635559082,1.5,0.0,1.41261446475983,3.30192732810974,0.0,194.0,2.82842707633972,2.60245728492737,,0.587785661220551,53.5998229980469,0.112873218953609,2.49464178085327,1.48600459098816,4.85276556015015,0.0,-0.471382975578308,36.3745613098145,0.781722486019135,2.58141398429871,0.0,51.1480140686035,2.19068694114685,0.367950886487961,0.0614824593067169,-0.305433213710785,58.7547569274902,289.089996337891,1.51746463775635,1.0,50.1561470031738,1.80055010318756,0.0,0.818833470344543,0.127777829766273,0.0,5.55765581130981,0.284517794847488,0.0,3.49519896507263,0.205950379371643
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%2C1-2H3,4.78810119628906,0.0,0.333333343267441,1.37206614017487,7.00029993057251,0.595275402069092,367.0,6.08969736099243,1.84699952602386,,0.699753224849701,51.3207092285156,0.177370935678482,2.5528392791748,3.11506390571594,3.87579941749573,0.0,-0.46362242102623,39.8184700012207,0.742529809474945,3.0750207901001,0.0,55.7024345397949,2.85938143730164,0.349033504724503,0.159043774008751,-0.345245897769928,59.2339859008789,790.119995117188,1.79836523532867,0.0,74.6684112548828,3.34349370002747,3.0,1.00670182704926,0.101094111800194,0.078567422926426,7.08692455291748,0.602027714252472,0.0,4.34567880630493,0.617656052112579
InChI%3D1S%2FC6H10O4S2%2Fc1-5-6%282%2912%289%2C10%294-3-11%285%2C7%298%2Fh3-4H2%2C1-2H3,4.67830371856689,0.0,1.0,1.28307926654816,1.0,1.62865054607391,94.0,1.63299322128296,2.93629193305969,,0.324301987886429,27.3533821105957,0.510542154312134,3.81399273872375,2.82842707633972,4.37070941925049,0.0,-0.0540415570139885,28.9047393798828,0.504784405231476,5.22934675216675,0.0,34.2243843078613,2.87352848052979,0.0306772291660309,0.341446727514267,-0.144587486982346,33.4524269104004,352.059997558594,2.05656957626343,0.0,21.5539665222168,2.43428707122803,4.0,0.98984706401825,-0.192828223109245,0.0,2.75,0.888071179389954,0.0,1.70132327079773,0.25
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%29,1.31986618041992,0.0,3.53277564048767,0.540044903755188,1.98270320892334,0.0,176.0,5.98511123657227,0.483002573251724,41.8199996948242,0.300720065832138,23.6216793060303,0.0,0.584433495998383,2.49915194511414,1.60915231704712,0.5,-0.249794781208038,17.2803840637207,0.75388365983963,0.464042842388153,0.0,24.7814311981201,1.07780790328979,0.169149279594421,0.043919637799263,-0.0679980739951134,20.3983058929443,494.040008544922,0.538180232048035,0.0,20.8851184844971,1.18972265720367,0.0,0.276656687259674,0.0127077400684357,0.0,5.77777767181396,0.0,1.0,4.88888883590698,0.142258897423744
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%2C1-2H3,1.9591121673584,0.0,6.21063280105591,0.530440151691437,0.793700516223907,0.0,246.0,8.25508785247803,1.14199006557465,45.6100006103516,0.237367153167725,30.9749641418457,0.0559016987681389,1.40148568153381,1.10064244270325,3.53200483322144,0.0,-0.187085449695587,22.121955871582,0.701908588409424,1.19400525093079,1.0,31.1289596557617,2.34814858436584,0.143806740641594,0.0511388927698135,-0.082731194794178,31.7450771331787,784.039978027344,1.39078009128571,0.0,24.7933387756348,0.89516818523407,1.0,0.839963138103485,0.014423456043005,0.0,7.34999990463257,0.117851130664349,0.0,4.81663513183594,0.142258897423744
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%2C1-2H3,2.35373115539551,0.608220219612122,5.29627513885498,0.286596477031708,4.32963848114014,0.512992799282074,354.0,11.0235061645508,0.571114242076874,78.9000015258789,0.850766003131866,24.6468143463135,0.0448895953595638,0.732654929161072,1.79132831096649,2.26876330375671,2.3292121887207,-0.526425659656525,22.9888286590576,0.853896856307983,0.738219618797302,0.0,30.31223487854,1.45283901691437,0.116195566952229,0.0277777779847383,0.202155575156212,32.2019500732422,916.059997558594,0.817119419574738,0.0,32.9776573181152,1.03224515914917,3.0,0.387391597032547,-0.578171849250793,0.0,9.84959983825684,0.248005643486977,0.0,6.11999988555908,0.096225045621395
InChI%3D1S%2FC3H6N6O6%2Fc10-7%2811%294-1-5%288%2812%2913%293-6%282-4%299%2814%2915%2Fh1-3H2,2.99156379699707,0.0,1.5,0.400000005960464,0.0,3.1143274307251,147.0,0.0,0.654698491096497,,0.263083457946777,21.8067417144775,0.0500000007450581,0.652071237564087,0.0,1.6722936630249,0.0,-0.214691951870918,20.3978710174561,0.517159879207611,0.734403192996979,0.0,28.7212791442871,1.00931572914124,0.38452285528183,0.0424264073371887,-0.391737699508667,27.6435871124268,231.119995117188,0.667389750480652,0.0,26.2201118469238,1.5,6.0,0.266233772039413,0.226417884230614,0.0,5.36507940292358,0.5,0.0,3.5,0.117851130664349
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%29,1.79911375045776,0.0,4.68483638763428,0.34552201628685,3.30192732810974,0.0,177.0,8.68047523498535,0.851616382598877,,0.195644080638885,21.2077178955078,0.0502961166203022,1.36096084117889,0.0,3.66204619407654,0.0,-0.12717941403389,20.3366813659668,0.700689017772675,1.33763945102692,1.0,27.4727191925049,2.94604754447937,-0.0122238481417298,0.215128555893898,0.0627132728695869,20.3868732452393,659.039978027344,1.62337851524353,0.0,19.2240390777588,0.666666686534882,0.0,1.03595471382141,-0.0218615140765905,0.240562617778778,3.86776852607727,0.16666667163372,0.0,1.75999999046326,0.537174642086029
InChI%3D1S%2FC7H13N3O3S%2Fc1-8-7%2812%2913-9-5%2814-4%296%2811%2910%282%293%2Fh1-4H3%2C%28H%2C8%2C12%29,2.22305798530579,0.0,0.0,0.447005808353424,1.31037068367004,0.16666667163372,161.0,0.0,0.739745199680328,99.7900009155273,0.500825941562653,23.5311241149902,0.0706435441970825,0.80246776342392,3.5361020565033,1.8198299407959,0.70710676908493,-0.35731640458107,18.8864231109619,0.685501217842102,0.786946952342987,1.0,23.3808555603027,0.94701474905014,0.0755857601761818,0.0,0.117517948150635,27.8798160552979,494.070007324219,0.480935782194138,0.0,22.164493560791,0.981125235557556,1.0,0.123080663383007,-0.0335905402898788,0.0,7.3125,0.288675129413605,1.0,5.48096895217896,0.0
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%29,2.47690725326538,0.090909093618393,3.96540641784668,0.479077249765396,4.32350397109985,0.090909093618393,420.0,6.8165454864502,0.662158608436584,185.960006713867,0.74254035949707,38.7933349609375,0.0166666675359011,0.850423991680145,2.11601543426514,2.47907018661499,0.852802872657776,-0.68756365776062,28.6616039276123,0.944871068000793,0.922981262207031,0.0,41.601375579834,1.56766033172607,0.554872155189514,0.0248451996594667,-0.386142015457153,38.6935348510742,834.099975585938,0.95037716627121,0.0,48.4480857849121,1.48803389072418,0.0,0.393195003271103,0.212169349193573,0.0,10.7142858505249,0.0833333358168602,2.0,7.90842866897583,0.117851130664349
InChI%3D1S%2FCH2O%2Fc1-2%2Fh1H2,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,17.0699996948242,0.156959161162376,2.77446913719177,0.0,0.0,0.0,0.0,0.0,-0.0784795805811882,1.33209192752838,0.668335676193237,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.01000022888184,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0
InChI%3D1S%2FC9H21O2PS3%2Fc1-6-10-12%2813%2C11-7-2%2915-8-14-9%283%2C4%295%2Fh6-8H2%2C1-5H3,2.18566012382507,0.5,0.75,4.52800750732422,0.0,0.0,176.0,0.0,4.59107398986816,110.959999084473,0.323013633489609,40.5826110839844,0.0,7.70150947570801,0.0,8.61229228973389,0.0,-0.255111306905746,36.3139381408691,0.921144008636475,7.24458932876587,2.0,52.6656303405762,8.20345878601074,0.203384175896645,0.0,-0.193389430642128,36.389705657959,1015.05999755859,5.30291700363159,1.0,41.1720733642578,2.48743677139282,0.0,5.70128536224365,0.121190220117569,0.0,6.55401659011841,0.0,0.0,7.875,0.0
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%2C1-2H3,3.08633852005005,0.0,13.2283449172974,0.420629739761353,4.64039134979248,2.07621812820435,602.0,12.7224225997925,0.750617384910583,94.5800018310547,0.386456578969955,31.3667907714844,0.0478688888251781,0.984640419483185,1.35085594654083,3.82730865478516,1.43587291240692,-0.135092437267303,29.5425109863281,0.354521036148071,1.17559278011322,0.0,38.6448822021484,2.55548405647278,-0.0165358185768127,0.0418704636394978,-0.00755815440788865,42.0888671875,1850.07995605469,1.68630254268646,0.0,47.7721710205078,1.56771421432495,5.0,1.02587997913361,0.0452958308160305,0.0,13.2231407165527,0.383276641368866,0.0,8.71005916595459,0.142717450857162
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%2C1-3H3,10.8556604385376,0.0,1.0,2.07464027404785,33.2407188415527,6.59288120269775,616.0,6.67383241653442,4.47846221923828,201.850006103516,0.962012469768524,49.4029502868652,0.663078248500824,7.35136604309082,9.74951362609863,7.38569402694702,0.0,-0.161313682794571,42.6053047180176,0.935397028923035,10.6620197296143,0.0,73.2652435302734,6.01271295547485,-0.00809720903635025,0.275249153375626,-0.364670753479004,102.415489196777,2359.1201171875,4.43105220794678,0.0,127.433067321777,4.28878307342529,3.0,2.89141702651978,-0.260594606399536,0.0,8.79084300994873,1.99774813652039,6.0,3.51734066009521,0.679380238056183