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

SMILES,WV.unity,Wnu1.unity,Wlambda3.unity,Wlambda1.unity,BCUTc-1l,BCUTw-1h,Wnu2.unity,WA.unity,WK.unity,Weta2.unity,BCUTw-1l,Weta1.unity,BCUTp-1h,WD.unity,BCUTc-1h,Weta3.unity,BCUTp-1l,WT.unity,Wlambda2.unity
InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H,17.3445262908936,2.77761480482752e-09,4.51185607910156,1.89990245758054e-08,-0.18704180419445,12.1501121520996,0.340376764535904,10.5044765472412,0.244717419147491,0.537092626094818,11.8500003814697,0.486012816429138,8.88276863098145,1.56556057929993,0.115228086709976,0.54245513677597,6.89796876907349,6.8400502204895,2.32819414138794
InChI%3D1S%2FC9H7N3O4S%2Fc1-5%2813%2910-9-11-6%284-17-9%297-2-3-8%2816-7%2912%2814%2915%2Fh2-4H%2C1H3%2C%28H%2C10%2C11%2C13%29,,,,,-0.372287660837173,31.9720726013184,,,,,11.9962682723999,,10.2141027450562,,0.277924805879593,,3.43381643295288,,
InChI%3D1S%2FC11H13N5O4%2Fc1-15%282%297-12-11-14-13-9%2820-11%295-3-8-4-6-10%2819-8%2916%2817%2918%2Fh3-6H%2C7H2%2C1-2H3%2C%28H%2C12%2C14%29,101.223449707031,0.0379450172185898,17.543851852417,0.775007724761963,-0.330421835184097,15.9989767074585,0.103093601763248,52.1694450378418,0.394221037626266,0.391572415828705,11.9967241287231,0.442811459302902,8.48214435577393,1.45077705383301,0.278212875127792,0.616393148899078,3.38429713249207,20.4244937896729,2.10563468933105
InChI%3D1S%2FC12H5Cl5%2Fc13-8-3-1-2-6%2810%288%2915%297-4-5-9%2814%2912%2817%2911%287%2916%2Fh1-5H,47.560546875,0.123353376984596,7.77842283248901,1.29322290420532,-0.172561705112457,34.9729766845703,0.134705916047096,22.8705902099609,0.30645552277565,0.514059007167816,11.9985237121582,0.509685337543488,11.8445825576782,1.54974281787872,0.142961367964745,0.525998413562775,6.86269426345825,10.4838876724243,1.41224157810211
InChI%3D1S%2FC3H6O2%2Fc4-1-3-2-5-3%2Fh3-4H%2C1-2H2,6.84685850143433,0.124294184148312,2.44779491424561,0.431201785802841,-0.393309623003006,15.9977836608887,0.170127391815186,2.75469613075256,0.279183804988861,0.310963600873947,11.9970207214355,0.427197813987732,5.44575548171997,1.30752611160278,0.10469364374876,0.569364666938782,3.65949654579163,3.46920323371887,0.590206503868103
InChI%3D1S%2FC12H12N2O3%2Fc1-2-12%288-6-4-3-5-7-8%299%2815%2913-11%2817%2914-10%2812%2916%2Fh3-7H%2C2H2%2C1H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29,54.0722427368164,0.195323973894119,4.62923145294189,1.74580943584442,-0.34783923625946,15.9969263076782,0.286750197410583,24.4208507537842,0.138444378972054,0.461907297372818,11.8500003814697,0.312915295362473,11.9949417114258,1.2014696598053,0.371319651603699,0.426647067070007,4.33389711380005,8.93801975250244,2.56297898292542
InChI%3D1S%2FC9H8N4O5%2Fc1-5%2814%2910-4-7-11-9%2812-18-7%296-2-3-8%2817-6%2913%2815%2916%2Fh2-3H%2C4H2%2C1H3%2C%28H%2C10%2C14%29,,,,,-0.372495919466019,16.0000019073486,,,,,11.9962682723999,,7.93456888198853,,0.277987837791443,,3.36992383003235,,
InChI%3D1S%2FC8H12N2O3%2Fc1-3-8%284-2%295%2811%299-7%2813%2910-6%288%2912%2Fh3-4H2%2C1-2H3%2C%28H2%2C9%2C10%2C11%2C12%2C13%29,30.2862014770508,0.236878454685211,2.95342111587524,1.56430435180664,-0.369977802038193,15.9987058639526,0.315892815589905,14.0444822311401,0.085421547293663,0.336299002170563,11.9962921142578,0.363137751817703,10.7250032424927,1.08045589923859,0.371286273002625,0.381019085645676,4.25452661514282,6.60382699966431,2.08610129356384
InChI%3D1S%2FC4H9N3O%2Fc8-6-7-3-1-5-2-4-7%2Fh5H%2C1-4H2,12.8512887954712,0.168136090040207,1.98862886428833,0.738615930080414,-0.313761293888092,15.9949169158936,0.379179000854492,6.01165914535522,0.0895136818289757,0.541264414787292,11.8999996185303,0.423403382301331,7.02389001846313,1.48460173606873,0.124045446515083,0.519933938980103,3.20346641540527,4.3929648399353,1.66571998596191
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InChI%3D1S%2FC14H12N4O2%2Fc15-5-1-2-6%2816%2910-9%285%2913%2819%2911-7%2817%293-4-8%2818%2912%2811%2914%2810%2920%2Fh1-4H%2C15-18H2,54.7268295288086,0.00836207810789347,7.81339836120605,0.105677530169487,-0.302824527025223,15.9959259033203,0.37337738275528,38.1929359436035,0.213695392012596,0.567382097244263,11.8999996185303,0.451051265001297,10.8376989364624,1.60215020179749,0.248650923371315,0.583716809749603,5.89768743515015,12.6377115249634,4.71863603591919
InChI%3D1S%2FC6H11IO3%2Fc1-4%287%296-9-3-5%282-8%2910-6%2Fh4-6%2C8H%2C2-3H2%2C1H3,21.0683002471924,0.189186230301857,3.04956126213074,1.08737742900848,-0.417714297771454,126.904472351074,0.280239075422287,9.97946548461914,0.147931024432182,0.551641523838043,11.9963550567627,0.504769206047058,11.7190961837769,1.66510152816772,0.170067086815834,0.608690738677979,4.20426750183105,5.74765634536743,1.61071789264679
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InChI%3D1S%2FC14H14ClN3O2S%2Fc1-8-4-3-5-10%289%288%292%2916-12-6-11%2815%2917-14%2818-12%2921-7-13%2819%2920%2Fh3-6H%2C7H2%2C1-2H3%2C%28H%2C19%2C20%29%28H%2C16%2C17%2C18%29,136.610946655273,0.087375819683075,10.3965167999268,1.38446450233459,-0.330977261066437,34.9688529968262,0.256482988595963,62.2710075378418,0.242105886340141,0.48500195145607,11.8900003433228,0.441428363323212,11.4962892532349,1.53234457969666,0.269032299518585,0.605914235115051,4.30402994155884,15.8449373245239,4.06395721435547
InChI%3D1S%2FC12H12N2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10%2C13-14H,54.8798408508301,0.145370215177536,6.55890464782715,1.45728206634521,-0.222967281937599,14.0040864944458,0.200350567698479,25.6582012176514,0.240709409117699,0.535768985748291,11.8500003814697,0.488373965024948,8.66844177246094,1.6448655128479,0.0988121852278709,0.620722591876984,6.54538106918335,10.0246257781982,2.00843954086304
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InChI%3D1S%2FC4H8O%2Fc1-2-4-5-3-1%2Fh1-4H2,7.53748512268066,0.146238893270493,1.65290999412537,0.483428418636322,-0.402844548225403,15.9974174499512,0.353749662637711,3.29731059074402,0.125008568167686,0.81501841545105,11.9969358444214,0.618470847606659,5.7985143661499,2.15596199035645,0.0694901272654533,0.722472667694092,4.99268484115601,3.30574440956116,1.16940593719482
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InChI%3D1S%2FC9H19N3O2%2Fc1-3-5-7-10-9%2813%2912%2811-14%298-6-4-2%2Fh3-8H2%2C1-2H3%2C%28H%2C10%2C13%29,77.9585113525391,0.0690616369247437,12.5625677108765,1.06674015522003,-0.334361284971237,16.0168743133545,0.11762747913599,38.1640625,0.359983175992966,0.429101705551147,11.9989995956421,0.3816998898983,8.13677787780762,1.36633062362671,0.236313298344612,0.555528998374939,3.45978689193726,15.4462060928345,1.81689822673798
InChI%3D1S%2FC6H6N2O3%2Fc7-5-3-4%288%2810%2911%291-2-6%285%299%2Fh1-3%2C9H%2C7H2,16.9369258880615,0.00109127466566861,4.11607360839844,0.00720698293298483,-0.383991569280624,15.996922492981,0.375656694173813,10.2591419219971,0.217439025640488,0.562793791294098,11.8500003814697,0.228187695145607,7.84440183639526,1.3136123418808,0.256013810634613,0.52263081073761,3.57342195510864,6.60418796539307,2.48090744018555
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InChI%3D1S%2FC12H11N3%2Fc1-7-12-8-4-2-3-5-9%288%2915-10%2812%296-11%2813%2914-7%2Fh2-6%2C15H%2C1H3%2C%28H2%2C13%2C14%29,46.7051734924316,0.135386794805527,4.37147617340088,1.16906809806824,-0.293199598789215,14.0050926208496,0.358363717794418,22.2556495666504,0.129687115550041,0.515999555587769,11.8999996185303,0.325287699699402,10.7663288116455,1.3016402721405,0.0990799516439438,0.460353046655655,5.6653847694397,8.63502311706543,3.09447908401489
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InChI%3D1S%2FC62H86N12O16%2Fc1-27%282%2942-59%2884%2973-23-17-19-36%2873%2957%2882%2969%2813%2925-38%2875%2971%2815%2948%2829%285%296%2961%2886%2988-33%2811%2944%2855%2880%2965-42%2967-53%2878%2935-22-21-31%289%2951-46%2835%2964-47-40%2841%2863%2950%2877%2932%2810%2952%2847%2990-51%2954%2879%2968-45-34%2812%2989-62%2887%2949%2830%287%298%2972%2816%2939%2876%2926-70%2814%2958%2883%2937-20-18-24-74%2837%2960%2885%2943%2828%283%294%2966-56%2845%2981%2Fh21-22%2C27-30%2C33-34%2C36-37%2C42-45%2C48-49H%2C17-20%2C23-26%2C63H2%2C1-16H3%2C%28H%2C65%2C80%29%28H%2C66%2C81%29%28H%2C67%2C78%29%28H%2C68%2C79%29,,,,,-0.371609270572662,16.010555267334,,,,,11.9960718154907,,12.0862922668457,,0.281885534524918,,5.48221683502197,,
InChI%3D1S%2FC5H11NO2%2Fc1-3-5%284-2%296%287%298%2Fh5H%2C3-4H2%2C1-2H3,16.1620388031006,0.168912813067436,2.60864472389221,0.849551916122437,-0.277734935283661,16.0168704986572,0.312421411275864,7.65015554428101,0.138999342918396,0.419396609067917,11.9989995956421,0.572025835514069,7.48750448226929,1.51148092746735,0.170788168907166,0.520058512687683,3.46347570419312,5.02952909469604,1.5713324546814
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InChI%3D1S%2FC18H16N2O7S2%2Fc1-10-3-6-15%2811%282%297-10%2919-20-17-14-9-13%2828%2822%2C23%2924%295-4-12%2814%298-16%2818%2817%2921%2929%2825%2C26%2927%2Fh3-9%2C19H%2C1-2H3%2C%28H%2C22%2C23%2C24%29%28H%2C25%2C26%2C27%29,219.617645263672,0.0414577387273312,13.5649604797363,0.890061438083649,-0.285488307476044,31.9730739593506,0.326706558465958,113.462684631348,0.223876774311066,0.393119364976883,11.8500003814697,0.356749832630157,12.1747999191284,1.26786363124847,0.299098193645477,0.517994403839111,6.09752416610718,21.4691276550293,7.01410436630249
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InChI%3D1S%2FC6H11NO2%2Fc1-3-5-6%284-2%297%288%299%2Fh5H%2C3-4H2%2C1-2H3,23.4612293243408,0.0875485837459564,5.11983489990234,0.630503296852112,-0.265907466411591,16.0168704986572,0.201536357402802,11.5742015838623,0.283186286687851,0.399003863334656,11.9989995956421,0.477585881948471,7.84538078308105,1.45221078395844,0.190624639391899,0.575621008872986,3.63411474227905,7.20175361633301,1.45141518115997
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InChI%3D1S%2FC22H28O3%2Fc1-4-22%2825-14%282%2923%2912-10-20-19-7-5-15-13-16%2824%296-8-17%2815%2918%2819%299-11-21%2820%2C22%293%2Fh1%2C13%2C17-20H%2C5-12H2%2C2-3H3,118.470581054688,0.115449048578739,10.2892618179321,1.72017645835876,-0.340099722146988,16.0061473846436,0.1939906924963,52.4118690490723,0.267920196056366,0.527258157730103,11.988395690918,0.435564011335373,12.5465898513794,1.45913326740265,0.333123087882996,0.496311098337173,4.34051609039307,14.8998746871948,2.89043688774109
InChI%3D1S%2FC12H10ClNO%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C14H2,48.9087867736816,0.0860472396016121,9.81843948364258,1.0428546667099,-0.310048550367355,34.9688529968262,0.103821031749249,23.9055938720703,0.357598811388016,0.35895374417305,11.8500003814697,0.277336806058884,8.57056617736816,1.18731474876404,0.118355363607407,0.551024198532104,5.53903722763062,12.1195592880249,1.25826513767242
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InChI%3D1S%2FC15H10F3NO%2Fc16-15%2817%2C18%2914%2820%2919-11-5-6-13-10%288-11%297-9-3-1-2-4-12%289%2913%2Fh1-6%2C8H%2C7H2%2C%28H%2C19%2C20%29,49.9647674560547,0.00963478907942772,11.1473188400269,0.134689971804619,-0.270173907279968,19.001256942749,0.192963063716888,31.9350566864014,0.348051607608795,0.546190142631531,11.9974021911621,0.128908604383469,10.0947732925415,1.21109366416931,0.484786361455917,0.53599488735199,3.26874136924744,13.9795446395874,2.6975359916687
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InChI%3D1S%2FC20H16O8%2Fc1-23-10-7-11-13%288-4-5-26-20%288%2927-11%2918-15%2810%2916%2822%2914-9%2821%296-12%2824-2%2917%2825-3%2919%2814%2928-18%2Fh4-8%2C20-21H%2C1-3H3,223.120544433594,0.046835545450449,11.9859752655029,0.970239996910095,-0.376685231924057,16.0025634765625,0.37457600235939,112.16529083252,0.183941349387169,0.467868477106094,11.996150970459,0.282693654298782,10.8546524047852,1.01362884044647,0.203467860817909,0.263066738843918,5.01822757720947,20.7158889770508,7.75967502593994
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InChI%3D1S%2FC18H14N4O5S%2Fc23-16-9-6-13%2811-15%2816%2918%2824%2925%2921-20-12-4-7-14%288-5-12%2928%2826%2C27%2922-17-3-1-2-10-19-17%2Fh1-11%2C20H%2C%28H%2C19%2C22%29%28H%2C24%2C25%29,186.670944213867,0.106689266860485,11.4401597976685,1.8738260269165,-0.327805608510971,31.9720726013184,0.241947010159492,78.0134735107422,0.238522782921791,0.581390976905823,11.9883060455322,0.538623690605164,11.6217594146729,1.72186326980591,0.294418752193451,0.601848602294922,4.3900671005249,17.5633964538574,4.24941158294678
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InChI%3D1S%2FC15H22O3%2Fc1-11-6-7-12%282%2913%2810-11%2918-9-5-8-15%283%2C4%2914%2816%2917%2Fh6-7%2C10H%2C5%2C8-9H2%2C1-4H3%2C%28H%2C16%2C17%29,104.672866821289,0.0495847910642624,13.8133277893066,0.867755889892578,-0.35090696811676,15.9987077713013,0.161102265119553,53.3778762817383,0.341984689235687,0.401991903781891,11.9961862564087,0.266637057065964,9.26693534851074,1.31414222717285,0.284284740686417,0.645513236522675,4.34328508377075,17.5004444122314,2.81936144828796
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InChI%3D1S%2FC2H5Br%2Fc1-2-3%2Fh2H2%2C1H3,4.07795095443726,0.17565755546093,1.21876382827759,0.395966619253159,-0.196960434317589,78.9185180664062,0.283678025007248,1.5151549577713,0.155498325824738,0.58412903547287,11.9989070892334,0.499927848577499,6.99242544174194,1.82302176952362,0.0830138474702835,0.738964915275574,5.42599678039551,2.25419640541077,0.639465928077698
InChI%3D1S%2FC11H14N2O4%2Fc1-8%282%2916-9-6-4-5-7-10%289%2917-11%2814%2913%283%2912-15%2Fh4-8H%2C1-3H3,71.8995895385742,0.0511955060064793,7.11351108551025,0.627718448638916,-0.340137511491776,16.0170001983643,0.368640273809433,39.4554328918457,0.185123160481453,0.472849994897842,11.9989995956421,0.491337865591049,8.83086967468262,1.4470876455307,0.367573499679565,0.482899814844131,3.15487551689148,12.2612028121948,4.51997327804565
InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H,6.52058362960815,0.091500535607338,1.64501309394836,0.287401109933853,-0.376168370246887,15.9974174499512,0.384772956371307,2.80822324752808,0.142794892191887,0.738163769245148,11.9969358444214,0.363595217466354,5.96626329421997,1.68989098072052,0.0796170309185982,0.58813202381134,5.1578631401062,3.14097738265991,1.20856308937073
InChI%3D1S%2FC13H11NO5%2Fc1-2-14-5-8%2813%2816%2917%2912%2815%297-3-10-11%284-9%287%2914%2919-6-18-10%2Fh3-5H%2C2%2C6H2%2C1H3%2C%28H%2C16%2C17%29,68.6225967407227,0.0654777064919472,7.39539337158203,0.775377988815308,-0.350033432245255,15.9989337921143,0.310009598731995,35.7298698425293,0.218384519219398,0.518575429916382,11.8500003814697,0.425399035215378,10.3457908630371,1.39223337173462,0.274925321340561,0.448258966207504,4.42032718658447,11.8418626785278,3.67109107971191
InChI%3D1S%2FC11H11N5%2Fc12-10-7-6-9%2811%2813%2914-10%2916-15-8-4-2-1-3-5-8%2Fh1-7H%2C%28H4%2C12%2C13%2C14%29,68.2351608276367,0.0660733282566071,10.4635715484619,0.895008087158203,-0.313738375902176,14.0094022750854,0.161461070179939,34.2073287963867,0.329349189996719,0.512589752674103,11.994402885437,0.345432817935944,9.29199504852295,1.41004157066345,0.112328507006168,0.552019000053406,5.40272903442383,13.5456790924072,2.18709993362427
InChI%3D1S%2FC3H6N2S%2Fc6-3-4-1-2-5-3%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29,9.47947788238525,0.0656647533178329,2.73532176017761,0.276428073644638,-0.266930758953094,31.972677230835,0.284566789865494,4.36400699615479,0.237326338887215,0.564611792564392,11.9985771179199,0.358141154050827,8.60701370239258,1.33783268928528,0.174878552556038,0.415079712867737,6.56010770797729,4.20968723297119,1.19793713092804
InChI%3D1S%2FC4H9N3O3%2Fc5-4%289%297%286-10%292-1-3-8%2Fh8H%2C1-3H2%2C%28H2%2C5%2C9%29,18.9118518829346,0.143420860171318,3.40860462188721,0.819019734859467,-0.395696699619293,16.0169315338135,0.259688705205917,9.06119346618652,0.197667822241783,0.50762403011322,11.9989995956421,0.34385734796524,7.44894599914551,1.35690820217133,0.233444109559059,0.50542676448822,3.28581094741821,5.71060371398926,1.48297929763794
InChI%3D1S%2FC5H3Cl5%2Fc1-2%284%287%298%293%286%295%289%2910%2Fh1H3,17.125997543335,0.125418603420258,2.96582365036011,0.673551082611084,-0.146832764148712,34.9729766845703,0.322330087423325,8.29757022857666,0.164188489317894,0.436246246099472,11.9985771179199,0.299443662166595,11.5167560577393,1.1461991071701,0.212491437792778,0.410509198904037,7.09878921508789,5.37042379379272,1.73104918003082
InChI%3D1S%2FC6H6N2O3%2Fc7-4-1-2-6%289%295%283-4%298%2810%2911%2Fh1-3%2C9H%2C7H2,16.3185482025146,0.00113750307355076,4.23278999328613,0.00742271682247519,-0.383152961730957,16.0169315338135,0.350203514099121,9.72130107879639,0.236494228243828,0.508009076118469,11.9989995956421,0.205705896019936,7.85413932800293,1.26408553123474,0.190449684858322,0.550370633602142,3.59796929359436,6.52544784545898,2.28523468971252
InChI%3D1S%2FC2H3N3O%2Fc1-5%282-3%294-6%2Fh1H3,6.38862371444702,0.0570849552750587,1.73415458202362,0.182768002152443,-0.269834727048874,16.0168151855469,0.401276826858521,2.77973675727844,0.156228676438332,0.456830382347107,11.9989995956421,0.214600697159767,5.81850385665894,1.03731608390808,0.231914266943932,0.365884959697723,2.87155532836914,3.20168423652649,1.28476166725159
InChI%3D1S%2FC4H10N2S%2Fc1-5-4%287%296%282%293%2Fh1-3H3%2C%28H%2C5%2C7%29,20.1629791259766,0.171140030026436,3.00137639045715,0.968104958534241,-0.301294386386871,31.9720706939697,0.298281461000443,9.60342693328857,0.147933885455132,0.323904633522034,11.9936571121216,0.491940587759018,9.4222526550293,1.34030592441559,0.134554773569107,0.524460732936859,5.53799533843994,5.65679979324341,1.68731844425201
InChI%3D1S%2FC14H12N4O3S%2Fc19-8-7-15-13-9-3-1-2-4-10%289%2916-14%2817-13%2911-5-6-12%2822-11%2918%2820%2921%2Fh1-6%2C19H%2C7-8H2%2C%28H%2C15%2C16%2C17%29,119.341026306152,0.0475434958934784,11.3194217681885,0.78784567117691,-0.393901258707047,31.9720726013184,0.269372314214706,62.962158203125,0.262313157320023,0.391118049621582,11.9989995956421,0.391613155603409,11.7665500640869,1.24743747711182,0.209645688533783,0.46470633149147,4.09755420684814,16.5710487365723,4.46378183364868
InChI%3D1S%2FC12H27O4P%2Fc1-4-7-10-14-17%2813%2C15-11-8-5-2%2916-12-9-6-3%2Fh4-12H2%2C1-3H3,184.313049316406,0.129321545362473,9.5567045211792,2.10943579673767,-0.284379482269287,30.973762512207,0.284792959690094,74.3533401489258,0.189414128661156,0.477192729711533,11.8900003433228,0.418960988521576,6.56926965713501,1.43399679660797,0.453915268182755,0.537843108177185,3.51460242271423,16.3115577697754,4.64541673660278
InChI%3D1S%2FC18H15N3O%2Fc1-21%2820-22%2916-10-7-14%288-11-16%296-9-15-12-13-19-18-5-3-2-4-17%2815%2918%2Fh2-13H%2C1H3,139.636840820312,0.11821698397398,10.4193992614746,1.84348177909851,-0.255679309368134,15.9949207305908,0.213618069887161,60.057731628418,0.251123696565628,0.523441851139069,11.8500003814697,0.293255865573883,10.3489246368408,1.39150428771973,0.103269316256046,0.57480651140213,3.3787534236908,15.5940523147583,3.33117151260376
InChI%3D1S%2FC2H2ClF3%2Fc3-1-2%284%2C5%296%2Fh1H2,4.90756988525391,0.191679120063782,1.37037336826324,0.485633611679077,-0.199106886982918,34.9693794250488,0.267435818910599,1.92307209968567,0.155663788318634,0.625205934047699,11.998706817627,0.484046071767807,5.69951009750366,1.91243851184845,0.407668083906174,0.803186535835266,2.96624994277954,2.53357601165771,0.677568972110748
InChI%3D1S%2FC6H5NO2%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H,11.6885690689087,4.43695398644195e-07,3.35600113868713,2.33778246183647e-06,-0.132697328925133,15.9959182739258,0.3630530834198,6.41966390609741,0.227709844708443,0.520140469074249,11.8500003814697,0.170015797019005,7.38454151153564,1.20382821559906,0.248806267976761,0.513671875,3.49059367179871,5.26889085769653,1.91288709640503
InChI%3D1S%2FC12H19NO3%2Fc1-12%282%2C3%2913-7-11%2816%298-4-9%2814%296-10%2815%295-8%2Fh4-6%2C11%2C13-16H%2C7H2%2C1-3H3,72.7035369873047,0.0933107510209084,10.0891437530518,1.24066865444183,-0.38661715388298,15.9969253540039,0.147884294390678,34.7949104309082,0.319103717803955,0.451438993215561,11.8500003814697,0.376110851764679,9.26560688018799,1.41374778747559,0.182741731405258,0.586197972297668,5.00037097930908,13.2960958480835,1.96628379821777
InChI%3D1S%2FC3H3N3O2S%2Fc4-3-5-1-2%289-3%296%287%298%2Fh1H%2C%28H2%2C4%2C5%29,13.5712985992432,0.147736847400665,3.23164653778076,0.731566786766052,-0.283253163099289,31.9720706939697,0.199645653367043,6.2822380065918,0.239463120698929,0.514292776584625,11.9989995956421,0.382735520601273,9.24563121795654,1.33825933933258,0.179632470011711,0.441231101751328,3.90688014030457,4.95182323455811,0.988610029220581
InChI%3D1S%2FC4H8N2O2%2Fc7-5-6-1-3-8-4-2-6%2Fh1-4H2,12.0986175537109,0.113967850804329,2.17397618293762,0.503959596157074,-0.377905517816544,15.9959182739258,0.394398719072342,5.76594209671021,0.118725076317787,0.513618528842926,11.8999996185303,0.320784240961075,6.86900854110718,1.28151869773865,0.154758095741272,0.447115927934647,3.16474747657776,4.42194557189941,1.74400961399078
InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H,15.7759504318237,0.0307676568627357,4.07899808883667,0.186138361692429,-0.364155679941177,15.9949169158936,0.294996231794357,8.37111854553223,0.255677074193954,0.501390278339386,11.8500003814697,0.235267356038094,7.88113403320312,1.33032584190369,0.137078240513802,0.593668162822723,5.67011642456055,6.04980611801147,1.78467011451721
InChI%3D1S%2FC6H14N2O%2Fc1-3-5-8%287-9%296-4-2%2Fh3-6H2%2C1-2H3,25.5416965484619,0.103042848408222,5.28353834152222,0.766754269599915,-0.275210827589035,16.0168170928955,0.186911046504974,12.4660902023315,0.282534569501877,0.307700634002686,11.9989995956421,0.412345111370087,7.52525854110718,1.25529515743256,0.173729062080383,0.535249471664429,3.30513262748718,7.44112014770508,1.39082765579224
InChI%3D1S%2FC17H22N2%2Fc1-18%282%2916-9-5-14%286-10-16%2913-15-7-11-17%2812-8-15%2919%283%294%2Fh5-12H%2C13H2%2C1-4H3,163.7529296875,0.109698332846165,14.9622888565063,2.12705254554749,-0.319627434015274,14.0092868804932,0.118652567267418,71.1426010131836,0.328736811876297,0.463571906089783,11.9933195114136,0.612166464328766,9.44680118560791,1.69104146957397,0.0312850810587406,0.615303099155426,5.9936785697937,19.3900165557861,2.30067539215088
InChI%3D1S%2FC9H11N3O2%2Fc13-10-12-6-2-4-9%2812%298-3-1-5-11%2814%297-8%2Fh1%2C3%2C5%2C7%2C9H%2C2%2C4%2C6H2,35.5855255126953,0.0993885844945908,6.39558029174805,0.885048806667328,-0.207657054066658,15.995922088623,0.18240512907505,17.4863681793213,0.288654714822769,0.551640212535858,11.9944458007812,0.396839737892151,9.92078113555908,1.51911556720734,0.087752528488636,0.570635676383972,3.55583953857422,8.90493488311768,1.62430584430695
InChI%3D1S%2FC8H5N3O4S%2Fc12-4-9-8-10-5%283-16-8%296-1-2-7%2815-6%2911%2813%2914%2Fh1-4H%2C%28H%2C9%2C10%2C12%29,,,,,-0.350755363702774,31.9720726013184,,,,,11.9989995956421,,9.89373207092285,,0.277933925390244,,3.40983009338379,,
InChI%3D1S%2FC2H5ClO%2Fc1-4-2-3%2Fh2H2%2C1H3,5.23989105224609,0.129176124930382,1.92264473438263,0.368317812681198,-0.362280130386353,34.9693794250488,0.196515426039696,1.99181926250458,0.2557313144207,0.359272062778473,11.998706817627,0.486284583806992,5.67785978317261,1.57319891452789,0.183878690004349,0.727642238140106,4.20024538040161,2.85128378868103,0.560321271419525
InChI%3D1S%2FC6H10N2O3%2Fc1-5%289%293-8%287-11%294-6%282%2910%2Fh3-4H2%2C1-2H3,27.4230270385742,0.124270685017109,4.90077352523804,0.911189258098602,-0.298965930938721,16.0169315338135,0.207347333431244,13.301643371582,0.25128647685051,0.637891352176666,11.9989995956421,0.376991599798203,7.68625926971436,1.57161569595337,0.174220487475395,0.556732714176178,3.34587550163269,7.33229446411133,1.52033162117004
InChI%3D1S%2FC2H2Cl2O2%2Fc3-1%284%292%285%296%2Fh1H%2C%28H%2C5%2C6%29,6.38910913467407,0.16018009185791,2.05044746398926,0.506941020488739,-0.328706383705139,34.9701538085938,0.191932216286659,2.59289240837097,0.235915765166283,0.3725506067276,11.998706817627,0.252230882644653,8.18281364440918,1.23409128189087,0.304435521364212,0.609309792518616,4.07099580764771,3.16481924057007,0.607430815696716
InChI%3D1S%2FC10H12O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh4-6H%2C2-3%2C7H2%2C1H3,33.3439178466797,0.0476536974310875,8.36298561096191,0.491490513086319,-0.316523253917694,15.9959192276001,0.141492024064064,17.0318393707275,0.358140707015991,0.379592329263687,11.8500003814697,0.377031475305557,8.72925853729248,1.29714024066925,0.206126391887665,0.540516436100006,5.32294368743896,10.3137950897217,1.4593198299408
InChI%3D1S%2FC7H10N2O%2Fc1-10-7-3-2-5%288%294-6%287%299%2Fh2-4H%2C8-9H2%2C1H3,23.0308876037598,0.0250642020255327,5.21259832382202,0.191743209958076,-0.347122937440872,15.9949178695679,0.293557733297348,13.13623046875,0.261033535003662,0.44500520825386,11.9935121536255,0.273022800683975,8.16068172454834,1.21992087364197,0.0930308029055595,0.501892864704132,4.83090114593506,7.65008211135864,2.24574089050293
InChI%3D1S%2FC13H12Cl2N2%2Fc14-10-6-8%281-3-12%2810%2916%295-9-2-4-13%2817%2911%2815%297-9%2Fh1-4%2C6-7H%2C5%2C16-17H2,74.5207672119141,0.103357166051865,9.67837619781494,1.34762632846832,-0.301806271076202,34.970157623291,0.154352858662605,35.2330589294434,0.306717485189438,0.460750102996826,11.9985208511353,0.404739648103714,9.86156463623047,1.41562628746033,0.136348307132721,0.550136566162109,6.08218145370483,13.038537979126,2.012535572052
InChI%3D1S%2FC5H11N3O2%2Fc1-2-3-4-8%287-10%295%286%299%2Fh2-4H2%2C1H3%2C%28H2%2C6%2C9%29,25.2591609954834,0.0829862803220749,5.7404088973999,0.643502593040466,-0.355057597160339,15.9982604980469,0.17672897875309,12.442569732666,0.305213540792465,0.335907429456711,11.9963998794556,0.477684527635574,7.54732418060303,1.35356342792511,0.25398251414299,0.539971470832825,3.3343243598938,7.75432538986206,1.37041401863098
InChI%3D1S%2FC8H11NO%2Fc1-6-5-7%2810-2%293-4-8%286%299%2Fh3-5H%2C9H2%2C1-2H3,24.6578731536865,0.0189404953271151,6.07874441146851,0.15845713019371,-0.348686784505844,15.9949169158936,0.254462748765945,14.2412748336792,0.294947564601898,0.499337285757065,11.8500003814697,0.207449063658714,8.35476589202881,1.26857483386993,0.121193401515484,0.561788499355316,4.77324533462524,8.36604976654053,2.1288480758667
InChI%3D1S%2FC12H15ClO3%2Fc1-4-15-11%2814%2912%282%2C3%2916-10-7-5-9%2813%296-8-10%2Fh5-8H%2C4H2%2C1-3H3,66.4393844604492,0.0720140337944031,8.74108600616455,0.885646760463715,-0.329390615224838,34.9688529968262,0.217227593064308,33.4595222473145,0.283068776130676,0.468841999769211,11.8500003814697,0.319555193185806,9.36204051971436,1.26128792762756,0.293838292360306,0.472890764474869,4.72073125839233,12.2982521057129,2.67151975631714
InChI%3D1S%2FC10H22N2O%2Fc1-3-5-7-9-12%2811-13%2910-8-6-4-2%2Fh3-10H2%2C1-2H3,51.4010124206543,0.0935235992074013,4.45707702636719,0.882849156856537,-0.275211811065674,16.0168170928955,0.434321135282516,25.8282413482666,0.104116447269917,0.526045620441437,11.9989995956421,0.408062785863876,7.99682807922363,1.42811465263367,0.173766374588013,0.494006186723709,3.42441630363464,9.43985462188721,4.09992837905884
InChI%3D1S%2FC6H7ClN2%2Fc7-5-2-1-4%288%293-6%285%299%2Fh1-3H%2C8-9H2,15.0152063369751,0.00257976679131389,3.83478450775146,0.0157665833830833,-0.302876174449921,34.9688529968262,0.369963467121124,8.76686668395996,0.220592573285103,0.526159405708313,11.8500003814697,0.466731607913971,8.88063430786133,1.54161882400513,0.160536900162697,0.548727810382843,5.66568040847778,6.11163139343262,2.26108050346375
InChI%3D1S%2FC7H8O2%2Fc1-5-2-3-6%288%297%289%294-5%2Fh2-4%2C8-9H%2C1H3,16.2462005615234,0.0146179832518101,4.16437864303589,0.0922972336411476,-0.358750939369202,15.9959182739258,0.325830101966858,9.14151477813721,0.244663923978806,0.450457572937012,11.8500003814697,0.117646910250187,7.67732572555542,1.10888159275055,0.200962215662003,0.540777087211609,4.79039001464844,6.31395101547241,2.05727529525757
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InChI%3D1S%2FC13H12N4%2Fc1-17-11-7-10%289-5-3-2-4-6-9%298-15-12%2811%2916-13%2817%2914%2Fh2-8H%2C1H3%2C%28H2%2C14%2C15%2C16%29,161.637145996094,0.0974306166172028,11.0280733108521,1.63619410991669,-0.278200656175613,14.0061006546021,0.245879545807838,70.3368606567383,0.242517367005348,0.0787756741046906,11.8500003814697,0.491073727607727,9.97917556762695,1.15568661689758,0.157773166894913,0.585837185382843,5.66262340545654,16.7934284210205,4.12916040420532
InChI%3D1S%2FC5H10N2O2%2Fc1-2-3-7%286-9%294-5-8%2Fh2%2C8H%2C1%2C3-5H2,21.2784404754639,0.117370389401913,4.6229944229126,0.778087317943573,-0.394357293844223,16.0168704986572,0.185275182127953,10.2309761047363,0.273015826940536,0.25092801451683,11.9989995956421,0.475131005048752,7.41288423538208,1.19537115097046,0.173993423581123,0.469312101602554,3.27668023109436,6.62933254241943,1.22825074195862
InChI%3D1S%2FC3H6O%2Fc1-3-2-4-3%2Fh3H%2C2H2%2C1H3,5.37952756881714,0.115307681262493,1.9205801486969,0.333484888076782,-0.394129395484924,15.9974164962769,0.220621302723885,2.07872605323792,0.248053267598152,0.349346667528152,11.9970207214355,0.316668391227722,5.21050453186035,1.27050721645355,0.0949969589710236,0.6044921875,4.17043542861938,2.89213061332703,0.63806563615799
InChI%3D1S%2FC6H12N2O4%2Fc1-4%289%292-7-3-5%2810%296%2811%298-12%2Fh5-7%2C10-11H%2C2-3H2%2C1H3,26.6743183135986,0.103584006428719,6.4105978012085,0.857525646686554,-0.386733859777451,16.0169982910156,0.122053883969784,12.841178894043,0.330771565437317,0.444316953420639,11.9989995956421,0.428554028272629,7.41455078125,1.35867309570312,0.214266538619995,0.48580214381218,3.1327109336853,8.2785530090332,1.0104296207428
InChI%3D1S%2FC9H10N4O4%2Fc1-6-5-12%289%2814%2911-6%2910-4-7-2-3-8%2817-7%2913%2815%2916%2Fh2-4%2C6H%2C5H2%2C1H3%2C%28H%2C11%2C14%29,59.5186882019043,0.0308310594409704,12.5307302474976,0.464002519845963,-0.354974895715714,15.9992933273315,0.136553421616554,32.5198593139648,0.374461650848389,0.449936389923096,11.9962682723999,0.29442971944809,8.58923053741455,1.34903705120087,0.278264135122299,0.604670941829681,3.37423920631409,15.0498399734497,2.05510711669922
InChI%3D1S%2FC4H4N2O2%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29,10.2541532516479,2.81126188994563e-09,2.84711217880249,1.34166429077709e-08,-0.344640821218491,15.9959182739258,0.403429180383682,5.48168992996216,0.197428122162819,0.496343612670898,11.9886379241943,0.473623663187027,6.41464805603027,1.47454833984375,0.312512814998627,0.504581034183502,4.31948900222778,4.77246284484863,1.92535078525543
InChI%3D1S%2FC10H15N3O2%2Fc1-13%2812-15%297-3-5-10%2814%299-4-2-6-11-8-9%2Fh2%2C4%2C6%2C8%2C10%2C14H%2C3%2C5%2C7H2%2C1H3,55.8620376586914,0.100210189819336,6.93413543701172,1.05020022392273,-0.387801021337509,16.0168743133545,0.238134041428566,27.2082462310791,0.246241837739944,0.4875208735466,11.9989995956421,0.465815514326096,8.80440330505371,1.51012051105499,0.173620998859406,0.556784093379974,3.1620991230011,10.4799747467041,2.4956386089325
InChI%3D1S%2FC3H6N6%2Fc4-1-7-2%285%299-3%286%298-1%2Fh%28H6%2C4%2C5%2C6%2C7%2C8%2C9%29,13.8161115646362,0.00608292082324624,3.02207016944885,0.0341751724481583,-0.279204040765762,14.0099649429321,0.456011563539505,7.93329477310181,0.153429135680199,0.492392867803574,11.9947319030762,0.488786935806274,7.61092185974121,1.45854306221008,0.183416426181793,0.477363288402557,5.31381273269653,5.61821746826172,2.56197214126587
InChI%3D1S%2FC13H13N3%2Fc1-7-12-11%288%282%2915-13%287%2914%299-5-3-4-6-10%289%2916-12%2Fh3-6%2C16H%2C1-2H3%2C%28H2%2C14%2C15%29,55.7037734985352,0.120810464024544,5.57905721664429,1.17398452758789,-0.292918741703033,14.0050935745239,0.305069118738174,26.5693302154541,0.180590331554413,0.513804256916046,11.8999996185303,0.256307512521744,11.0772953033447,1.22687637805939,0.0992720574140549,0.45676451921463,5.97975826263428,9.71757316589355,2.9645311832428
InChI%3D1S%2FC4H6Cl2%2Fc5-3-1-2-4-6%2Fh1-2H%2C3-4H2,10.3849353790283,0.0813966244459152,3.67341160774231,0.391965299844742,-0.212266653776169,34.9701538085938,0.155772283673286,4.48937511444092,0.322123318910599,0.49421289563179,11.9985990524292,0.412568718194962,7.25531339645386,1.51857674121857,0.110591277480125,0.61179506778717,5.28791189193726,4.81549835205078,0.750121116638184
InChI%3D1S%2FC12H4Cl6%2Fc13-7-3-1-5%289%2815%2911%287%2917%296-2-4-8%2814%2912%2818%2910%286%2916%2Fh1-4H,143.566925048828,0.0858466997742653,8.99450874328613,1.3329883813858,-0.170723974704742,34.9739570617676,0.334891766309738,65.6930389404297,0.184446156024933,0.156453624367714,11.9985237121582,0.308347553014755,11.9678392410278,0.87932026386261,0.150863498449326,0.414519101381302,6.86943340301514,15.5275430679321,5.20004653930664
InChI%3D1S%2FC12H10N2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10H,51.2524337768555,0.126316323876381,6.61915874481201,1.25258553028107,-0.197743594646454,14.0040864944458,0.206178113818169,24.3849678039551,0.250629156827927,0.52359664440155,11.8500003814697,0.461156249046326,8.37819194793701,1.65823817253113,0.103722363710403,0.673485219478607,6.50909948348999,9.916259765625,2.04451584815979
InChI%3D1S%2FC18H22ClNO%2Fc1-16%2815-21-18-10-6-3-7-11-18%2920%2813-12-19%2914-17-8-4-2-5-9-17%2Fh2-11%2C16H%2C12-15H2%2C1H3,265.162689208984,0.122788712382317,12.991997718811,2.45031929016113,-0.343921095132828,34.9688529968262,0.22616520524025,101.529678344727,0.238284558057785,0.34025302529335,11.8500003814697,0.337169528007507,10.4890012741089,1.08808887004852,0.0910941958427429,0.41066637635231,5.62158155441284,19.9555740356445,4.51325654983521
InChI%3D1S%2FC5H8O2%2Fc1-5%282%293-7-4%285%296%2Fh3H2%2C1-2H3,11.2449426651001,0.260656625032425,1.53637421131134,1.0282564163208,-0.337751090526581,16.0060234069824,0.349882036447525,5.11958980560303,0.0420959964394569,0.471115916967392,11.9887399673462,0.322020828723907,7.74800300598145,1.42941701412201,0.34212663769722,0.636280298233032,3.86969661712646,3.94486951828003,1.38023900985718
InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H,8.17278575897217,1.68189420723941e-10,2.02869009971619,6.82398582085852e-10,-0.211758151650429,12.1500539779663,0.499992787837982,4.11546468734741,0.125005409121513,0.523446261882782,11.8500003814697,0.58770215511322,6.39342927932739,1.63460409641266,0.0882962495088577,0.523455679416656,6.09337520599365,4.05732154846191,2.02863144874573
InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2,3.06072163581848,7.51464002135549e-10,1.37340795993805,1.56630075576203e-09,-0.193793177604675,34.9693794250488,0.341080158948898,0.976389229297638,0.244189888238907,0.567940950393677,11.998706817627,0.599945545196533,5.86817216873169,1.80233669281006,0.0834903791546822,0.634450256824493,4.77382135391235,2.08433222770691,0.710924386978149
InChI%3D1S%2FC2H3Br%2Fc1-2-3%2Fh2H%2C1H2,3.28381586074829,4.61328808487593e-10,1.42354691028595,1.01083053039019e-09,-0.175355419516563,78.9185180664062,0.35031321644783,1.0926878452301,0.237265080213547,0.534444212913513,11.9989070892334,0.426243305206299,7.02517175674438,1.52609634399414,0.0745517313480377,0.565408766269684,5.45749759674072,2.19112801551819,0.767581105232239
InChI%3D1S%2FC6H4Cl2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H,9.95880222320557,1.38125368920328e-08,2.60986018180847,6.41683044477759e-08,-0.178569987416267,34.9701538085938,0.438215017318726,5.31314468383789,0.171338737010956,0.524901509284973,11.9985628128052,0.404608488082886,8.44905281066895,1.32775914669037,0.120973698794842,0.398249208927155,6.00330066680908,4.64565658569336,2.03579664230347
InChI%3D1S%2FC6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299,13.7643575668335,1.20191745445197e-09,2.84247040748596,6.83276057955595e-09,-0.167001381516457,34.9739570617676,0.499994963407516,8.07947444915771,0.125003784894943,0.4656662940979,11.9985628128052,0.455987989902496,11.3837738037109,1.38731706142426,0.167216703295708,0.465662807226181,7.47172689437866,5.68488311767578,2.8424129486084
InChI%3D1S%2FC2H5NO%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29,5.1954402923584,0.0597096048295498,1.98441588878632,0.174728348851204,-0.372745186090469,15.9979419708252,0.262159526348114,2.00313854217529,0.258598148822784,0.627315998077393,11.9966878890991,0.222221478819847,5.17695713043213,1.58689296245575,0.153052613139153,0.737355470657349,3.88754177093506,2.92630219459534,0.767157971858978
InChI%3D1S%2FC20H19NO3%2Fc1-20%282%2910-9-13-15%2824-20%2911-16%2823-4%2917-18%2813%2921%283%2914-8-6-5-7-12%2814%2919%2817%2922%2Fh5-11H%2C1-4H3,,,,,-0.373381942510605,15.9969310760498,,,,,11.9932918548584,,11.7661056518555,,0.154548421502113,,5.28758859634399,,
InChI%3D1S%2FC5H12N2O3%2Fc1-5%289%294-7%286-10%292-3-8%2Fh5%2C8-9H%2C2-4H2%2C1H3,22.3645057678223,0.169516056776047,3.20425796508789,1.01334285736084,-0.394651591777802,16.0169315338135,0.294462829828262,10.6710729598999,0.152015835046768,0.459553748369217,11.9989995956421,0.559771537780762,7.44613599777222,1.52609467506409,0.173864006996155,0.506769478321075,3.28509926795959,5.97785758972168,1.76025688648224
InChI%3D1S%2FC22H32O2%2Fc1-17%289-7-10-18%282%2914-16-24-20%284%2923%2912-13-21-19%283%2911-8-15-22%2821%2C5%296%2Fh7%2C9-10%2C12-14H%2C8%2C11%2C15-16H2%2C1-6H3,133.3837890625,0.109928302466869,9.13233184814453,1.6277437210083,-0.311738401651382,15.9959259033203,0.273327350616455,58.4137687683105,0.212558269500732,0.4806008040905,11.8900003433228,0.417820453643799,11.4028367996216,1.40789306163788,0.258701413869858,0.509471774101257,3.79320883750916,14.8073215484619,4.04724597930908
InChI%3D1S%2FC2F4%2Fc3-1%284%292%285%296,3.52497816085815,1.03587605160271e-09,1.53566193580627,2.40343656088271e-09,-0.190124750137329,19.0020332336426,0.338133037090302,1.20478093624115,0.246400237083435,0.666666686534882,11.9978256225586,0.682030975818634,3.66421484947205,2.15150594711304,0.357081592082977,0.802808225154877,2.65272426605225,2.32019710540771,0.78453528881073
InChI%3D1S%2FC8H8N2O2%2Fc1-10%289-12%298%2811%297-5-3-2-4-6-7%2Fh2-6H%2C1H3,27.5390758514404,0.125465631484985,5.34225845336914,0.953443288803101,-0.272786885499954,15.9959211349487,0.171535179018974,13.3002195358276,0.277249395847321,0.353412747383118,11.8500003814697,0.314388871192932,8.73950672149658,1.18508124351501,0.255537241697311,0.517279624938965,3.29201984405518,7.59923887252808,1.30353677272797
InChI%3D1S%2FC5H3Cl3O3%2Fc6-2-1%283%287%298%294%289%2911-5%282%2910%2Fh3-4%2C9H,15.8345623016357,0.0879806354641914,2.73473644256592,0.464303612709045,-0.363484412431717,34.9710578918457,0.393815666437149,7.9183087348938,0.138652786612511,0.460759550333023,11.9985771179199,0.322845190763474,10.3602609634399,1.31086313724518,0.313847154378891,0.527258396148682,4.66787052154541,5.27733850479126,2.07829856872559
InChI%3D1S%2FC18H20O2%2Fc1-3-17%2813-5-9-15%2819%2910-6-13%2918%284-2%2914-7-11-16%2820%2912-8-14%2Fh5-12%2C19-20H%2C3-4H2%2C1-2H3,93.3886108398438,0.093001700937748,9.92495059967041,1.30027365684509,-0.361398875713348,15.9959239959717,0.197119042277336,43.8413848876953,0.282409459352493,0.361875385046005,11.8500003814697,0.496287822723389,11.5337781906128,1.26444602012634,0.108995750546455,0.406282842159271,4.86094284057617,13.9811811447144,2.75595688819885
InChI%3D1S%2FC10H9N3O3%2Fc1-6-5-7%282%2912-10%2811-6%298-3-4-9%2816-8%2913%2814%2915%2Fh3-5H%2C1-2H3,,,,,-0.331199526786804,16.0169334411621,,,,,11.9989995956421,,8.9415111541748,,0.277969419956207,,3.38606548309326,,
InChI%3D1S%2FC14H16N2%2Fc1-9-7-11%283-5-13%289%2915%2912-4-6-14%2816%2910%282%298-12%2Fh3-8H%2C15-16H2%2C1-2H3,68.0111618041992,0.0386319272220135,11.8495473861694,0.573168694972992,-0.303225100040436,14.0040884017944,0.162701234221458,36.7795104980469,0.349000126123428,0.586961627006531,11.8500003814697,0.396227210760117,10.0765161514282,1.59531855583191,0.109306521713734,0.612129628658295,5.93190622329712,14.8366584777832,2.41394257545471
InChI%3D1S%2FC3H7N3O2%2Fc1-2-6%285-8%293%284%297%2Fh2H2%2C1H3%2C%28H2%2C4%2C7%29,12.5563869476318,0.115040056407452,2.68671751022339,0.531398475170135,-0.355054020881653,15.9982604980469,0.303324580192566,5.93672037124634,0.186226531863213,0.384105682373047,11.9965486526489,0.382799863815308,7.07575511932373,1.22208654880524,0.253964155912399,0.455180943012238,3.21643424034119,4.61924743652344,1.40113127231598
InChI%3D1S%2FC5H12N2S%2Fc1-3-6-5%288%297-4-2%2Fh3-4H2%2C1-2H3%2C%28H2%2C6%2C7%2C8%29,26.4765930175781,0.0580417737364769,5.18417024612427,0.447018951177597,-0.268818497657776,31.9720706939697,0.268835872411728,13.9767255783081,0.254841774702072,0.288302063941956,11.8900003433228,0.319756984710693,9.4222526550293,1.16101539134979,0.132672294974327,0.552956283092499,5.28474187850952,7.70167589187622,2.07048678398132
InChI%3D1S%2FC8H8%2Fc1-2-8-6-4-3-5-7-8%2Fh2-7H%2C1H2,14.2207536697388,1.92086971328997e-10,4.37717723846436,1.1924372600447e-09,-0.207942187786102,12.1500825881958,0.294890582561493,8.01295471191406,0.278832048177719,0.502701938152313,11.8500003814697,0.345179170370102,8.29837989807129,1.37121951580048,0.0922131165862083,0.523338437080383,5.47908926010132,6.20779895782471,1.83062148094177
InChI%3D1S%2FC13H16N4O6%2Fc18-13-16%2814-7-10-1-2-12%2822-10%2917%2819%2920%299-11%2823-13%298-15-3-5-21-6-4-15%2Fh1-2%2C7%2C11H%2C3-6%2C8-9H2,,,,,-0.37812203168869,16.0171546936035,,,,,11.9989995956421,,8.72112941741943,,0.360451966524124,,3.35176467895508,,
InChI%3D1S%2FC10H13N3O2%2Fc1-13%2812-15%297-3-5-10%2814%299-4-2-6-11-8-9%2Fh2%2C4%2C6%2C8H%2C3%2C5%2C7H2%2C1H3,50.8865242004395,0.09768096357584,7.47571325302124,1.02784049510956,-0.293706744909286,16.0168743133545,0.191863656044006,24.8514175415039,0.28284153342247,0.506837069988251,11.9989995956421,0.399638086557388,8.73015022277832,1.48019623756409,0.173576682806015,0.57372111082077,3.15974450111389,10.522424697876,2.01887083053589
InChI%3D1S%2FC8H14ClNS2%2Fc1-4-10%285-2%298%2811%2912-6-7%283%299%2Fh3-6H2%2C1-2H3,52.2641181945801,0.0815628245472908,8.07122135162354,0.902109920978546,-0.263689130544662,34.9693794250488,0.188690677285194,26.0082626342773,0.297309875488281,0.538143992424011,11.9985437393188,0.438073962926865,13.0387535095215,1.55384659767151,0.104249462485313,0.577628672122955,6.17049980163574,11.0603075027466,2.08697700500488
InChI%3D1S%2FC21H33NO7%2Fc1-7-13%282%2918%2823%2929-16-9-11-22-10-8-15%2817%2816%2922%2912-28-19%2824%2921%2826%2C14%283%2927-6%2920%284%2C5%2925%2Fh7-8%2C14%2C16-17%2C25-26H%2C9-12H2%2C1-6H3,186.464447021484,0.13037183880806,11.3777294158936,2.25363993644714,-0.41000309586525,16.0016689300537,0.211432754993439,75.4623184204102,0.243646562099457,0.446751713752747,11.9961462020874,0.474941611289978,10.7377500534058,1.45953667163849,0.299705773591995,0.537843346595764,4.9506516456604,17.2862491607666,3.65487933158875
InChI%3D1S%2FC8H6N4O4S%2Fc13-4-9-11-8-10-5%283-17-8%296-1-2-7%2816-6%2912%2814%2915%2Fh1-4H%2C%28H%2C9%2C13%29%28H%2C10%2C11%29,,,,,-0.349673211574554,31.9720726013184,,,,,11.9989995956421,,10.134165763855,,0.277929544448853,,3.41172909736633,,
InChI%3D1S%2FC6H14NO4P%2Fc1-9-12%288%2C10-2%297-3-5-11-6-4-7%2Fh3-6H2%2C1-2H3,46.6505699157715,0.162086069583893,4.8421688079834,1.40049314498901,-0.378437757492065,30.973762512207,0.27750551700592,21.749870300293,0.17030631005764,0.406585335731506,11.8999996185303,0.465908318758011,7.3252592086792,1.5094051361084,0.390082091093063,0.636911451816559,3.62099266052246,8.64042854309082,2.39776659011841
InChI%3D1S%2FC4H10N2O2%2Fc1-6%285-8%293-2-4-7%2Fh7H%2C2-4H2%2C1H3,15.9761819839478,0.154055312275887,3.17756295204163,0.806261599063873,-0.395675808191299,16.0168704986572,0.238796308636665,7.54077529907227,0.205361276865005,0.600177645683289,11.9989995956421,0.45146256685257,6.7711386680603,1.6011027097702,0.173539713025093,0.549462497234344,3.08091640472412,5.23358535766602,1.24976098537445
InChI%3D1S%2FC14H13N3O2S%2Fc1-19-13-7-9%2820%282%2918%293-4-10%2813%2914-16-11-5-6-15-8-12%2811%2917-14%2Fh3-8H%2C1-2H3%2C%28H%2C16%2C17%29,88.3756561279297,0.0757553428411484,11.6534605026245,1.14332175254822,-0.361334502696991,31.97483253479,0.152098134160042,42.6987915039062,0.329109877347946,0.366072982549667,11.9989995956421,0.342800110578537,11.1036939620972,1.19483649730682,0.157524526119232,0.485963463783264,5.33178615570068,15.0922918319702,2.29550957679749
InChI%3D1S%2FC10H10O3%2Fc1-2-8%2811%297-3-4-9-10%285-7%2913-6-12-9%2Fh2-5%2C8%2C11H%2C1%2C6H2,38.8109817504883,0.0928386524319649,6.75491571426392,0.869918465614319,-0.38378033041954,15.996922492981,0.186269327998161,19.1844921112061,0.290669023990631,0.494576841592789,11.8500003814697,0.406052380800247,9.04888343811035,1.46109187602997,0.207053765654564,0.560462713241577,5.37238645553589,9.37021827697754,1.74538421630859
InChI%3D1S%2FC12H12N2S%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,61.6464347839355,0.0537110604345798,11.7832746505737,0.769272267818451,-0.30344232916832,31.9720726013184,0.123573496937752,31.2809371948242,0.367036581039429,0.499420046806335,11.8500003814697,0.326077342033386,10.9992933273315,1.42128670215607,0.105317510664463,0.595789313316345,5.69485330581665,14.3224172592163,1.7698712348938
InChI%3D1S%2FC20H22O3%2Fc1-20%282%2C19%2821%2922%2923-16-12-10-15%2811-13-16%2918-9-5-7-14-6-3-4-8-17%2814%2918%2Fh3-4%2C6%2C8%2C10-13%2C18H%2C5%2C7%2C9H2%2C1-2H3%2C%28H%2C21%2C22%29,136.064056396484,0.0796421468257904,14.8807430267334,1.49990940093994,-0.333473980426788,16.0061473846436,0.130220592021942,62.4926414489746,0.34260293841362,0.385550409555435,11.9884157180786,0.495975136756897,11.1137247085571,1.47285521030426,0.361901521682739,0.591329634189606,4.24600172042847,18.8331108093262,2.45245885848999
InChI%3D1S%2FC26H36O6%2Fc1-4-5-6-22-31-21-12-18-17-8-7-15-11-16%2828%299-10-24%2815%2C2%2923%2817%2919%2829%2913-25%2818%2C3%2926%2821%2C32-22%2920%2830%2914-27%2Fh9-11%2C17-19%2C21-23%2C27%2C29H%2C4-8%2C12-14H2%2C1-3H3,840.000732421875,0.142128631472588,15.1859226226807,4.05365180969238,-0.411722719669342,16.0008125305176,0.325424432754517,240.129241943359,0.149335205554962,0.11168958991766,11.9961252212524,0.452599257230759,13.1398372650146,0.807065427303314,0.193178728222847,0.242776557803154,4.6903076171875,28.5210056304932,9.28143215179443
InChI%3D1S%2FC9H12N2O2%2Fc1-2-13-8-5-3-7%284-6-8%2911-9%2810%2912%2Fh3-6H%2C2H2%2C1H3%2C%28H3%2C10%2C11%2C12%29,35.661018371582,0.0107396468520164,11.542872428894,0.1422358751297,-0.357225894927979,15.9982614517212,0.117705427110195,19.8576164245605,0.403666198253632,0.464234530925751,11.9962682723999,0.195390418171883,8.54283714294434,1.2005740404129,0.232839614152908,0.540949165821075,4.61833667755127,13.2439994812012,1.55889058113098
InChI%3D1S%2FC7H9NO2S%2Fc1-6-4-2-3-5-7%286%2911%288%2C9%2910%2Fh2-5H%2C1H3%2C%28H2%2C8%2C9%2C10%29,26.1064777374268,0.0819618701934814,3.79553270339966,0.570842087268829,-0.290083706378937,31.9748306274414,0.373073130846024,13.5120315551758,0.158723756670952,0.517147123813629,11.9989995956421,0.33121246099472,11.1936283111572,1.39824736118317,0.322031021118164,0.549887776374817,6.84830188751221,6.9647274017334,2.59835267066956
InChI%3D1S%2FC9H8O4%2Fc10-7-3-1-6%285-8%287%2911%292-4-9%2812%2913%2Fh1-5%2C10-11H%2C%28H%2C12%2C13%29,35.7566680908203,0.095844991505146,5.97867965698242,0.832453846931458,-0.358746975660324,15.9979238510132,0.215796753764153,17.7429809570312,0.266268700361252,0.568796634674072,11.8500003814697,0.315349638462067,8.88825702667236,1.48909020423889,0.283392518758774,0.604943990707397,3.89729380607605,8.68541812896729,1.87428510189056
InChI%3D1S%2FC3H6O3S%2Fc4-7%285%293-1-2-6-7%2Fh1-3H2,9.63075733184814,0.160072848200798,1.91015386581421,0.60674524307251,-0.297142624855042,31.9720706939697,0.335986196994781,4.36433076858521,0.127955704927444,0.72333836555481,11.9970207214355,0.510123610496521,8.31650638580322,1.8522664308548,0.267782419919968,0.618804454803467,5.98199987411499,3.79043197631836,1.27353286743164
InChI%3D1S%2FCHBr3%2Fc2-1%283%294%2Fh1H,4.29628658294678,0.281161904335022,0.803443610668182,0.628481268882751,-0.134466677904129,78.9204025268555,0.359403789043427,1.65532243251801,0.0195757336914539,0.400003969669342,11.9998188018799,0.445790529251099,11.954273223877,1.24584376811981,0.243977874517441,0.400049239397049,8.25382423400879,2.23530030250549,0.803375363349915
InChI%3D1S%2FC7H7NO2%2Fc1-6-4-2-3-5-7%286%298%289%2910%2Fh2-5H%2C1H3,16.9173545837402,0.030681699514389,3.32650780677795,0.184323191642761,-0.137175694108009,15.9959192276001,0.415601164102554,9.37886428833008,0.165287867188454,0.568038403987885,11.8900003433228,0.240526169538498,8.05840015411377,1.3921138048172,0.16107976436615,0.583549201488495,3.64778113365173,6.00759363174438,2.49676299095154
InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H,7.27906847000122,6.14148509825441e-10,2.14245438575745,2.3196640164258e-09,-0.264029264450073,14.0030765533447,0.43276908993721,3.5020272731781,0.175423175096512,0.588813722133636,11.8500003814697,0.396527409553528,6.16526651382446,1.55549144744873,0.145878687500954,0.570150315761566,5.71635961532593,3.77704095840454,1.63458657264709
InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2,8.27052211761475,0.208780407905579,1.79448676109314,0.718906223773956,-0.213589757680893,34.9710578918457,0.270075559616089,3.62744116783142,0.140858024358749,0.292324870824814,11.9986352920532,0.336219489574432,9.03900241851807,1.20786201953888,0.114917285740376,0.579317688941956,5.65861177444458,3.44336032867432,0.92996746301651
InChI%3D1S%2FC2H4Br2%2Fc3-1-2-4%2Fh1-2H2,5.06537866592407,0.153468176722527,1.41951215267181,0.400547921657562,-0.192232117056847,78.91943359375,0.302652031183243,2.00627326965332,0.157909855246544,0.799133241176605,11.9989070892334,0.500000059604645,8.54524803161621,1.70617508888245,0.0982715487480164,0.407041698694229,6.54528713226318,2.6099739074707,0.789913892745972
InChI%3D1S%2FC7H11N5O2%2Fc1-8-7%2813%295-6%2812%283%2910-14%299-4-11%285%292%2Fh4H%2C1-3H3%2C%28H%2C8%2C13%29,45.3192977905273,0.234746664762497,3.85537123680115,1.88888919353485,-0.347060590982437,16.0168743133545,0.28611695766449,20.5070362091064,0.109352290630341,0.437990427017212,11.9989995956421,0.445927143096924,10.0260066986084,1.3767626285553,0.174828320741653,0.49284502863884,3.43913173675537,8.04650020599365,2.30224013328552
InChI%3D1S%2FC12H10N2O%2Fc15-14-12-8-6-11%287-9-12%2913-10-4-2-1-3-5-10%2Fh1-9%2C13H,45.9195938110352,0.0541460253298283,8.9082088470459,0.620041191577911,-0.258832335472107,15.9949188232422,0.167931318283081,23.846549987793,0.333442002534866,0.55060476064682,11.8500003814697,0.379916250705719,9.02811431884766,1.49075615406036,0.107915632426739,0.560235202312469,3.40496802330017,11.4512786865234,1.9230283498764
InChI%3D1S%2FC11H12N2O%2Fc1-9-8-11%2814%2913%2812%289%292%2910-6-4-3-5-7-10%2Fh3-8H%2C1-2H3,48.9973983764648,0.142490550875664,6.72545146942139,1.39955365657806,-0.278646886348724,15.9949188232422,0.17278166115284,23.2013759613037,0.263545840978622,0.495665013790131,11.9934062957764,0.382829964160919,9.92282199859619,1.40812480449677,0.222497880458832,0.529629826545715,4.99629163742065,9.82208061218262,1.69707536697388
InChI%3D1S%2FC4H9N3O2%2Fc1-2-3-7%286-9%294%285%298%2Fh2-3H2%2C1H3%2C%28H2%2C5%2C8%29,23.5781230926514,0.0693551078438759,4.90841341018677,0.498190730810165,-0.355055600404739,15.9982604980469,0.247325226664543,12.050609588623,0.262489765882492,0.470893800258636,11.9964609146118,0.389648139476776,7.39013242721558,1.39013028144836,0.253977745771408,0.529588341712952,3.29502773284912,7.18318748474121,1.77658355236053
InChI%3D1S%2FC4H9N5O3%2Fc1-2-3-8%287-10%294%285%296-9%2811%2912%2Fh2-3H2%2C1H3%2C%28H2%2C5%2C6%29,30.3724594116211,0.132618546485901,4.96897983551025,1.00719952583313,-0.275765091180801,16.0169334411621,0.213113054633141,14.6773929595947,0.240701302886009,0.410445302724838,11.9989995956421,0.496114581823349,7.97563409805298,1.51499342918396,0.237175405025482,0.608433544635773,3.21959161758423,7.59471130371094,1.61853218078613
InChI%3D1S%2FC8H11NO%2Fc1-6-3-4-8%2810-2%297%289%295-6%2Fh3-5H%2C9H2%2C1-2H3,25.4467658996582,0.0206212885677814,5.74812030792236,0.170474573969841,-0.347108125686646,15.9949169158936,0.284062951803207,14.8786993026733,0.271486818790436,0.422256916761398,11.9934787750244,0.195301547646523,8.20251178741455,1.13344776630402,0.0929321274161339,0.515889346599579,4.83613586425781,8.266921043396,2.3483259677887
InChI%3D1S%2FC7H10N2OS%2Fc1-2-3-5-4-6%2810%299-7%2811%298-5%2Fh4H%2C2-3H2%2C1H3%2C%28H2%2C8%2C9%2C10%2C11%29,32.1573715209961,0.0482924170792103,6.03522920608521,0.42350560426712,-0.344624102115631,31.972677230835,0.263509333133698,17.4812755584717,0.266148686408997,0.328689247369766,11.9984836578369,0.301155000925064,9.25635623931885,1.23376405239105,0.224180117249489,0.603919804096222,5.03663396835327,8.76960849761963,2.31087398529053
InChI%3D1S%2FC9H10O2%2Fc1-2-4-8%285-3-1%2910-6-9-7-11-9%2Fh1-5%2C9H%2C6-7H2,28.4202289581299,0.0362257175147533,7.94942045211792,0.352565735578537,-0.391406029462814,15.9977855682373,0.146980568766594,14.6785516738892,0.362595289945602,0.420807272195816,11.9967565536499,0.234399154782295,7.82463312149048,1.24438059329987,0.10557546466589,0.589174151420593,4.68258380889893,9.73247051239014,1.43048393726349
InChI%3D1S%2FC8H10O%2Fc1-7%289%298-5-3-2-4-6-8%2Fh2-7%2C9H%2C1H3,20.9842128753662,0.0833971276879311,4.60718631744385,0.557271599769592,-0.38811782002449,15.9949169158936,0.227125614881516,10.4054803848267,0.267107933759689,0.450753211975098,11.8500003814697,0.36259850859642,8.36488056182861,1.39786672592163,0.0912720337510109,0.584514915943146,4.90233945846558,6.68214416503906,1.51768612861633
InChI%3D1S%2FC16H12N2O%2Fc19-15-11-10-12-6-4-5-9-14%2812%2916%2815%2918-17-13-7-2-1-3-8-13%2Fh1-11%2C17H,90.2157669067383,0.14662978053093,7.61818790435791,1.78918623924255,-0.286612659692764,15.9949197769165,0.229034304618835,39.9210624694824,0.218251943588257,0.384267508983612,11.8500003814697,0.499200284481049,10.3322916030884,1.43123507499695,0.205900654196739,0.547767341136932,5.22161436080933,12.2020654678345,2.79469156265259
InChI%3D1S%2FC16H19ClN4O2S%2Fc1-10-4-3-5-12%2811%2810%292%2919-14-8-13%2817%2920-16%2821-14%2924-9-15%2823%2918-6-7-22%2Fh3-5%2C8%2C22H%2C6-7%2C9H2%2C1-2H3%2C%28H%2C18%2C23%29%28H%2C19%2C20%2C21%29,250.203857421875,0.0778316557407379,10.1580963134766,1.52536571025848,-0.393923848867416,34.9688529968262,0.403852313756943,107.967147827148,0.13873702287674,0.436885088682175,11.9943323135376,0.21207220852375,11.7244701385498,0.927280247211456,0.145654067397118,0.27832293510437,3.98049855232239,19.5982685089111,7.91480588912964
InChI%3D1S%2FC3H9O3P%2Fc1-5-7%283%2C4%296-2%2Fh1-3H3,19.7549266815186,0.0919179171323776,2.89250826835632,0.541653692722321,-0.340440779924393,30.973762512207,0.417227268218994,10.0100917816162,0.118141107261181,0.496421247720718,11.9965486526489,0.298117309808731,5.07700490951538,1.32319760322571,0.313103824853897,0.528659105300903,2.7684953212738,5.89279794692993,2.45863604545593
InChI%3D1S%2FC7H6N6O3%2Fc8-6-10-5%2811-7%289%2912-6%293-1-2-4%2816-3%2913%2814%2915%2Fh1-2H%2C%28H4%2C8%2C9%2C10%2C11%2C12%29,,,,,-0.331780552864075,16.0169353485107,,,,,11.9989995956421,,9.48600769042969,,0.277953714132309,,3.398029088974,,
InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H,3.91255211830139,0.225765258073807,0.834326267242432,0.479520052671432,-0.125714510679245,78.9185180664062,0.381421357393265,1.46446228027344,0.0446100309491158,0.400000005960464,11.9998188018799,0.403893411159515,9.64176177978516,1.14698350429535,0.27433830499649,0.343090027570724,6.52099990844727,2.12397623062134,0.810129880905151
InChI%3D1S%2FC17H12O6%2Fc1-20-10-6-11-14%288-4-5-21-17%288%2922-11%2915-13%2810%297-2-3-9%2818%2912%287%2916%2819%2923-15%2Fh4-6%2C8%2C17H%2C2-3H2%2C1H3,127.369697570801,0.108357086777687,8.56455421447754,1.55712473392487,-0.348673939704895,15.9999399185181,0.295653283596039,56.3393363952637,0.196992233395576,0.447040766477585,11.8999996185303,0.339067131280899,11.0983476638794,1.15413975715637,0.277479946613312,0.368031829595566,4.87101793289185,14.3703079223633,4.24862861633301
InChI%3D1S%2FC15H18N4O5%2Fc1-5-9%2816%2912%2821%298-6%284-24-14%2817%2922%2915%2823-2%2913-7%2818-13%293-19%2815%2910%288%2911%285%2920%2Fh6-7%2C13%2C18H%2C3-4%2C16H2%2C1-2H3%2C%28H2%2C17%2C22%29,132.078247070312,0.149278938770294,7.52403211593628,2.04459095001221,-0.360628366470337,15.9989433288574,0.301379144191742,54.8811531066895,0.162006437778473,0.460773378610611,11.9943437576294,0.43523046374321,12.0779237747192,1.37633013725281,0.275514304637909,0.480326354503632,4.43083429336548,13.6964464187622,4.12782335281372
InChI%3D1S%2FC11H24N2O%2Fc1-3-4-5-6-7-8-9-10-11-13%282%2912-14%2Fh3-11H2%2C1-2H3,82.4977645874023,0.0688441917300224,9.6427001953125,0.938256084918976,-0.275304734706879,16.0168190002441,0.223626285791397,41.2952537536621,0.280647128820419,0.443761259317398,11.9989995956421,0.618057370185852,7.55788135528564,1.59530401229858,0.173591181635857,0.533485293388367,3.14517140388489,13.6286888122559,3.04773306846619
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H,3.74932885169983,0.217433214187622,0.809827566146851,0.450002431869507,-0.14991594851017,34.9710578918457,0.39127242565155,1.38461232185364,0.0434707663953304,0.399982690811157,11.9994735717773,0.385363727807999,8.48476219177246,1.18534815311432,0.286561369895935,0.400001734495163,5.93843698501587,2.06961226463318,0.809782207012177
InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29,11.4118309020996,0.191219091415405,2.38101196289062,0.806867122650146,-0.330045133829117,14.0082683563232,0.244505882263184,5.21014499664307,0.173206269741058,0.612549304962158,11.9946517944336,0.450028419494629,7.11350584030151,1.60888981819153,0.0551623143255711,0.546312093734741,5.49149465560913,4.21959447860718,1.03171575069427
InChI%3D1S%2FC34H28N6O16S4%2Fc1-55-25-9-15%283-5-23%2825%2937-39-31-27%2859%2849%2C50%2951%2911-17-7-19%2857%2843%2C44%2945%2913-21%2835%2929%2817%2933%2831%2941%2916-4-6-24%2826%2810-16%2956-2%2938-40-32-28%2860%2852%2C53%2954%2912-18-8-20%2858%2846%2C47%2948%2914-22%2836%2930%2818%2934%2832%2942%2Fh3-14%2C37-38H%2C35-36H2%2C1-2H3%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29%28H%2C49%2C50%2C51%29%28H%2C52%2C53%2C54%29,772.455322265625,0.0119312033057213,68.9661026000977,0.891290247440338,-0.375984042882919,31.9750823974609,0.0648581758141518,399.932464599609,0.442407965660095,0.440437465906143,11.9961042404175,0.202049076557159,12.9455842971802,1.17778325080872,0.30017551779747,0.535296738147736,5.21805763244629,74.7024612426758,4.84506511688232
InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H,17.9416198730469,0.173174008727074,2.24611020088196,0.903157353401184,-0.204267740249634,34.9739570617676,0.396150320768356,8.53513336181641,0.0730067640542984,0.464689671993256,11.9985628128052,0.348887145519257,11.6940746307373,1.22378742694855,0.146525427699089,0.410210639238358,7.54407739639282,5.2153172492981,2.06604957580566
InChI%3D1S%2FC4H8N2OS%2Fc7-5-6-1-3-8-4-2-6%2Fh1-4H2,13.4724349975586,0.131701216101646,2.15771484375,0.607934594154358,-0.16166678071022,31.9720706939697,0.400857597589493,6.42920732498169,0.100580886006355,0.421312183141708,11.8999996185303,0.375526249408722,8.45062732696533,1.37511849403381,0.121190242469311,0.578280091285706,3.32324814796448,4.6160135269165,1.85036396980286
InChI%3D1S%2FC37H30N4O10S3%2Fc1-22-4-13-30%2814-5-22%2954%2849%2C50%2951-29-11-9-28%2810-12-29%2938-39-32-15-6-25%2818-23%2832%292%2926-7-16-33%2824%283%2919-26%2940-41-37-34%2842%2917-8-27-20-31%2852%2843%2C44%2945%2921-35%2836%2827%2937%2953%2846%2C47%2948%2Fh4-21%2C40H%2C1-3H3%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29,7309.96875,0.111150026321411,46.6798095703125,7.87316703796387,-0.286956012248993,31.9740791320801,0.229844242334366,1255.67956542969,0.244254291057587,0.317906379699707,11.8500003814697,0.263745218515396,13.3356523513794,0.979285597801208,0.302706837654114,0.397633969783783,5.56814384460449,70.8336944580078,16.2807159423828
InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296,5.46610021591187,1.52579782142226e-10,1.76281273365021,4.73488248609044e-10,-0.140288695693016,34.9720077514648,0.431940317153931,2.36288285255432,0.176044747233391,0.666666686534882,11.998706817627,0.762228667736053,9.79723739624023,2.21223258972168,0.246189966797829,0.783337414264679,6.75458335876465,3.10321760177612,1.34040486812592
InChI%3D1S%2FC4H10N2O%2Fc1-3-6%284-2%295-7%2Fh3-4H2%2C1-2H3,14.8925180435181,0.135566502809525,3.29316282272339,0.700938642024994,-0.275216341018677,16.0168151855469,0.227512463927269,7.00672578811646,0.227690771222115,0.295425087213516,11.9989995956421,0.466545343399048,6.89650535583496,1.31365847587585,0.173698246479034,0.551688075065613,3.14579558372498,5.17044115066528,1.17633986473083
InChI%3D1S%2FC8H14O4%2Fc1-5-4-8%2811-6%282%299%2912-7%283%2910-5%2Fh5%2C7-8H%2C4H2%2C1-3H3,40.8013038635254,0.108491227030754,5.14201068878174,0.932610154151917,-0.349194437265396,15.9989643096924,0.293334871530533,20.1130084991455,0.198630422353745,0.421088218688965,11.9967775344849,0.426811754703522,7.69288969039917,1.29573607444763,0.260687798261642,0.447836130857468,3.8557140827179,8.5961799621582,2.52155923843384
InChI%3D1S%2FC8H11N%2Fc1-6-3-4-7%282%298%289%295-6%2Fh3-5H%2C9H2%2C1-2H3,20.9727973937988,0.0224283691495657,5.02542018890381,0.16421914100647,-0.302245378494263,14.0030784606934,0.291220605373383,11.8911361694336,0.26476326584816,0.458141148090363,11.8500003814697,0.213093265891075,8.31507873535156,1.2358900308609,0.139932289719582,0.564655601978302,5.87873315811157,7.32193899154663,2.13229942321777
InChI%3D1S%2FC12Br10O%2Fc13-1-3%2815%297%2819%2911%288%2820%294%281%2916%2923-12-9%2821%295%2817%292%2814%296%2818%2910%2812%2922,83.1374816894531,0.136737331748009,9.49925708770752,1.79963910579681,-0.302632331848145,78.927360534668,0.141505196690559,38.1381912231445,0.291318088769913,0.416096717119217,11.9988374710083,0.44072636961937,14.6164236068726,1.37096536159515,0.155495092272758,0.514142215251923,9.58401584625244,13.1612863540649,1.86239051818848
InChI%3D1S%2FC5H11N3O3%2Fc1-2-6-5%2810%298%287-11%293-4-9%2Fh9H%2C2-4H2%2C1H3%2C%28H%2C6%2C10%29,27.9520301818848,0.0802427902817726,5.97746610641479,0.653220653533936,-0.394360452890396,16.0169315338135,0.18547460436821,13.9160499572754,0.300711959600449,0.417537093162537,11.9989995956421,0.358870059251785,7.66494607925415,1.26460611820221,0.236371263861656,0.488198965787888,3.34048342704773,8.14055252075195,1.50986564159393
InChI%3D1S%2FC2H4Cl2O%2Fc3-1-5-2-4%2Fh1-2H2,6.23527908325195,0.145255610346794,1.98292756080627,0.451100260019302,-0.337501972913742,34.9701538085938,0.216235861182213,2.5290310382843,0.228881388902664,0.498882681131363,11.998706817627,0.7504802942276,6.16513395309448,1.97650825977325,0.186238631606102,0.727145254611969,4.77278184890747,3.10556173324585,0.671533823013306
InChI%3D1S%2FC5H12N2O4%2Fc8-2-1-7%286-11%293-5%2810%294-9%2Fh5%2C8-10H%2C1-4H2,25.1004638671875,0.162690117955208,4.00382709503174,1.07263445854187,-0.394912630319595,16.016996383667,0.230035796761513,11.9938697814941,0.20545557141304,0.437303990125656,11.9989995956421,0.476890295743942,7.5049524307251,1.43984770774841,0.173885747790337,0.525653481483459,3.29998850822449,6.59311389923096,1.51665222644806
InChI%3D1S%2FC6H10N2O%2Fc1-3-5-8%287-9%296-4-2%2Fh3-4H%2C1-2%2C5-6H2,23.8698081970215,0.0967525616288185,4.95091485977173,0.688351392745972,-0.275003045797348,16.0168170928955,0.207362040877342,11.7275142669678,0.271914035081863,0.30347952246666,11.9989995956421,0.46451535820961,7.69400882720947,1.25613021850586,0.174141317605972,0.488135367631912,3.34783816337585,7.11455488204956,1.47528862953186
InChI%3D1S%2FC11H9BrO4%2Fc1-16-8-4-2-7%283-5-8%2911%2815%299%2812%296-10%2813%2914%2Fh2-6H%2C1H3%2C%28H%2C13%2C14%29,54.1270751953125,0.0654990673065186,9.37402725219727,0.794489204883575,-0.349045783281326,78.9183349609375,0.161689773201942,27.3906803131104,0.329608350992203,0.452971279621124,11.9962329864502,0.191810116171837,10.8838262557983,1.22922265529633,0.304283171892166,0.584441244602203,4.26273488998413,12.1297779083252,1.96126103401184
InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2,6.56432390213013,0.0819505006074905,2.37837719917297,0.279278516769409,-0.1925930082798,34.9701538085938,0.220146894454956,2.65810132026672,0.273426949977875,0.434697031974792,11.9986352920532,0.249254256486893,7.11486625671387,1.18125581741333,0.087548516690731,0.497304528951645,5.25948715209961,3.40789270401001,0.750237047672272
InChI%3D1S%2FC3H8N2O2%2Fc1-5%284-7%292-3-6%2Fh6H%2C2-3H2%2C1H3,12.4273996353149,0.164333686232567,2.6343035697937,0.739146888256073,-0.394351631402969,16.0168704986572,0.249984562397003,5.74021482467651,0.189261317253113,0.610410094261169,11.9989995956421,0.480403959751129,6.38538599014282,1.69178760051727,0.173584669828415,0.600973546504974,3.01596093177795,4.49784135818481,1.12439095973969
InChI%3D1S%2FC4H7Cl2O4P%2Fc1-8-11%287%2C9-2%2910-3-4%285%296%2Fh3H%2C1-2H3,39.304759979248,0.0778584852814674,4.98613500595093,0.675791501998901,-0.287472993135452,34.970157623291,0.34768483042717,20.4562301635742,0.180842518806458,0.477007985115051,11.9985990524292,0.334937065839767,8.39773941040039,1.25241148471832,0.457887351512909,0.440466374158859,3.13474416732788,8.67974090576172,3.01781415939331
InChI%3D1S%2FC5H10N2O3%2Fc8-4-3-6-2-1-5%289%297-10%2Fh6%2C8H%2C1-4H2,21.9075736999512,0.0527053102850914,7.46159648895264,0.462499707937241,-0.394452631473541,16.0169315338135,0.0969897583127022,10.1952219009399,0.387728691101074,0.611936092376709,11.9989995956421,0.527145981788635,6.88895463943481,1.66334676742554,0.287198930978775,0.524264633655548,2.96630382537842,8.77520084381104,0.851104617118835
InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2,2.74642729759216,0.188353389501572,0.808159649372101,0.319797992706299,-0.18513411283493,34.9701538085938,0.335659831762314,0.901275336742401,0.106990084052086,0.806643664836884,11.9994735717773,0.400000005960464,6.53172636032104,1.60664367675781,0.185354650020599,0.400000005960464,4.95766448974609,1.69786155223846,0.569903910160065
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%29,38.2856674194336,0.0412861555814743,9.007493019104,0.460579693317413,-0.261067926883698,34.9688529968262,0.151286214590073,20.1280975341797,0.355570703744888,0.568997502326965,11.8500003814697,0.346715003252029,8.87401103973389,1.50305950641632,0.278573483228683,0.587347030639648,4.76735353469849,11.1557903289795,1.68771731853485
InChI%3D1S%2FC4H5N3O3%2Fc8-3-1-2-7%286-10%294%289%295-3%2Fh1-2H2%2C%28H%2C5%2C8%2C9%29,12.8045711517334,0.0554235763847828,3.20256662368774,0.279832601547241,-0.347872674465179,16.0061435699463,0.310276865959167,6.351646900177,0.225724682211876,0.435466796159744,11.9887866973877,0.162984326481819,7.13620710372925,1.03975570201874,0.413053452968597,0.441304534673691,3.23154306411743,5.04898118972778,1.56658208370209
InChI%3D1S%2FC4H10N2O2%2Fc1-4%287%293-6%282%295-8%2Fh4%2C7H%2C3H2%2C1-2H3,15.3441333770752,0.156543299555779,2.87789344787598,0.78641277551651,-0.391398727893829,16.0168704986572,0.27058333158493,7.24412393569946,0.179655030369759,0.685109078884125,11.9989995956421,0.483798801898956,6.88876247406006,1.75523018836975,0.173602670431137,0.58632230758667,3.09585380554199,5.0236120223999,1.35930562019348
InChI%3D1S%2FC16H12N2O4%2Fc1-21-15-7-11%283-5-13%2815%2917-9-19%2912-4-6-14%2818-10-20%2916%288-12%2922-2%2Fh3-8H%2C1-2H3,101.021598815918,0.049707219004631,12.1541585922241,0.807846963405609,-0.375430852174759,15.9992961883545,0.202441453933716,52.4649925231934,0.31088849902153,0.608819425106049,11.9961776733398,0.441908329725266,10.0957374572754,1.64225220680237,0.338548570871353,0.591524481773376,3.39343595504761,16.2521057128906,3.29009985923767
InChI%3D1S%2FC8H12F6N2O%2Fc9-7%2810%2C11%293-1-5-16%2815-17%296-2-4-8%2812%2C13%2914%2Fh1-6H2,43.3678703308105,0.084478922188282,6.40661811828613,0.805105745792389,-0.191950872540474,19.0038166046143,0.243281170725822,21.8786163330078,0.254179924726486,0.381637841463089,11.9974756240845,0.487273126840591,7.80551290512085,1.38071000576019,0.410350888967514,0.511798977851868,3.11112141609192,9.5302562713623,2.31853175163269
InChI%3D1S%2FC19H20N2O2%2Fc1-2-3-14-17-18%2822%2920%2815-10-6-4-7-11-15%2921%2819%2817%2923%2916-12-8-5-9-13-16%2Fh4-13%2C17H%2C2-3%2C14H2%2C1H3,242.272201538086,0.200263321399689,8.20676898956299,3.33203911781311,-0.27872297167778,15.9959259033203,0.30649071931839,86.1872100830078,0.119934469461441,0.432683825492859,11.8500003814697,0.491141110658646,11.2287511825562,1.36186945438385,0.234621196985245,0.438044488430023,5.30177450180054,16.6382884979248,5.09948110580444
InChI%3D1S%2FC4H9NO2%2Fc1-3-4%282%295%286%297%2Fh4H%2C3H2%2C1-2H3,12.2894506454468,0.137523382902145,2.60280990600586,0.618882656097412,-0.277828246355057,16.0168704986572,0.284100025892258,5.72978925704956,0.183782443404198,0.372083514928818,11.9989995956421,0.394724160432816,6.85875415802002,1.2822470664978,0.170593649148941,0.515439391136169,3.30446767807007,4.50019931793213,1.27850675582886
InChI%3D1S%2FC7H15N3O%2Fc1-6-4-10%288-11%295-7%282%299%286%293%2Fh6-7H%2C4-5H2%2C1-3H3,26.3336963653564,0.204953864216805,2.73018550872803,1.27599012851715,-0.297927230596542,16.0168170928955,0.356514483690262,12.3756675720215,0.0788987427949905,0.579852223396301,11.9989995956421,0.549179315567017,8.77504348754883,1.63425755500793,0.173829406499863,0.505226016044617,3.37713432312012,6.22574329376221,2.21956753730774
InChI%3D1S%2FC8H12N4O5%2Fc9-7-10-2-12%288%2816%2911-7%296-5%2815%294%2814%293%281-13%2917-6%2Fh2-6%2C13-15H%2C1H2%2C%28H2%2C9%2C11%2C16%29,50.2779083251953,0.0973759442567825,6.26994371414185,0.95729261636734,-0.408791244029999,16.0,0.264844417572021,24.8194179534912,0.228334724903107,0.501257300376892,11.9962921142578,0.42685067653656,9.42023468017578,1.44945573806763,0.17237862944603,0.52134782075882,4.30835771560669,9.83089351654053,2.60365724563599
InChI%3D1S%2FC10H14N2O2%2Fc1-8%2812%282%2911-14%2910%2813%299-6-4-3-5-7-9%2Fh3-8%2C10%2C13H%2C1-2H3,39.5551490783691,0.179489955306053,4.44499206542969,1.42538261413574,-0.386182099580765,16.0168724060059,0.260778665542603,18.4928913116455,0.169798538088799,0.535393893718719,11.9989995956421,0.393262028694153,9.21814155578613,1.41321527957916,0.17385445535183,0.48455935716629,3.37545418739319,7.94129467010498,2.07092022895813
InChI%3D1S%2FC11H8N2O5%2Fc12-11%2814%298%289-2-1-5-17-9%296-7-3-4-10%2818-7%2913%2815%2916%2Fh1-6H%2C%28H2%2C12%2C14%29,,,,,-0.401569694280624,16.0016937255859,,,,,11.9937677383423,,9.94519424438477,,0.27817490696907,,3.41343760490417,,
InChI%3D1S%2FC6H10N2O2%2Fc1-3-4-8%287-10%295-6%282%299%2Fh3H%2C1%2C4-5H2%2C2H3,24.6056213378906,0.137955293059349,3.65084719657898,0.890319406986237,-0.2979995906353,16.0168724060059,0.296344727277756,11.9354658126831,0.174274995923042,0.436154961585999,11.9989995956421,0.493075340986252,7.69013404846191,1.47376799583435,0.17405204474926,0.544537663459778,3.34685683250427,6.45368099212646,1.9125143289566
InChI%3D1S%2FC4H6O2%2Fc1-3-2-4%285%296-3%2Fh3H%2C2H2%2C1H3,7.89103126525879,0.155278295278549,2.2310094833374,0.552175760269165,-0.328829765319824,15.9977836608887,0.217335656285286,3.38290572166443,0.220539540052414,0.53305858373642,11.9969358444214,0.317672491073608,6.01651000976562,1.38257706165314,0.281163245439529,0.531845927238464,3.4194347858429,3.55603933334351,0.772854149341583
InChI%3D1S%2FC9H10N4O3S%2Fc1-12%282%2911-9-10-6%285-17-9%297-3-4-8%2816-7%2913%2814%2915%2Fh3-5H%2C1-2H3%2C%28H%2C10%2C11%29,,,,,-0.332739949226379,31.9720726013184,,,,,11.9989995956421,,10.4583520889282,,0.277926117181778,,3.41429138183594,,
InChI%3D1S%2FC20H14O4%2Fc21-15-9-5-13%286-10-15%2920%2814-7-11-16%2822%2912-8-14%2918-4-2-1-3-17%2818%2919%2823%2924-20%2Fh1-12%2C21-22H,142.657363891602,0.146292224526405,6.08616352081299,2.02137470245361,-0.361399173736572,15.9979343414307,0.413236081600189,58.595157623291,0.0803537666797638,0.416411280632019,11.8500003814697,0.421114474534988,13.1256303787231,1.21862661838531,0.295191198587418,0.38110089302063,4.90078210830688,13.8173770904541,5.7098388671875
InChI%3D1S%2FC18H14N4O7S%2Fc23-21%2824%2914-7-9-15%2817%2811-14%2922%2825%2926%2920-13-6-8-16%2818%2810-13%2930%2827%2C28%2929%2919-12-4-2-1-3-5-12%2Fh1-11%2C19-20H%2C%28H%2C27%2C28%2C29%29,188.486343383789,0.0556194260716438,20.0427150726318,1.34744608402252,,,0.117064140737057,87.6693344116211,0.370487332344055,0.39763069152832,,0.417226552963257,,1.34427869319916,,0.529421389102936,,24.2261791229248,2.83601665496826
InChI%3D1S%2FC4H5NS%2Fc1-2-3-5-4-6%2Fh2H%2C1%2C3H2,10.7179565429688,0.0930122062563896,3.07464194297791,0.420387774705887,-0.270213574171066,31.9742794036865,0.226712942123413,4.87381410598755,0.260206133127213,0.551105201244354,11.9971828460693,0.409676998853683,7.3533353805542,1.40629124641418,0.278419822454453,0.445509105920792,5.09762191772461,4.51970529556274,1.02467572689056
InChI%3D1S%2FC2H4O%2Fc1-2-3-1%2Fh1-2H2,2.91568183898926,0.128890424966812,1.14862847328186,0.239530131220818,-0.397339552640915,15.9974164962769,0.253036051988602,0.927902340888977,0.213555127382278,0.571428596973419,11.997163772583,0.207977369427681,3.97737240791321,1.50972497463226,0.0920329913496971,0.730319082736969,3.54168629646301,1.85840117931366,0.470242500305176
InChI%3D1S%2FC6H12Cl3O4P%2Fc7-1-4-11-14%2810%2C12-5-2-8%2913-6-3-9%2Fh1-6H2,64.1193618774414,0.0799925178289413,6.25595140457153,0.87349808216095,-0.282609671354294,34.9710578918457,0.347104907035828,32.4873008728027,0.179676935076714,0.459947735071182,11.9985628128052,0.274109154939651,6.59544563293457,1.22789549827576,0.4540795981884,0.493838638067245,3.52768158912659,10.9197473526001,3.7902979850769
InChI%3D1S%2FC6H8N4O3S%2Fc1-2-7-5%2811%299-6-8-3-4%2814-6%2910%2812%2913%2Fh3H%2C2H2%2C1H3%2C%28H2%2C7%2C8%2C9%2C11%29,40.4074401855469,0.0533802472054958,7.26171827316284,0.536984503269196,-0.335782408714294,31.9720726013184,0.224751025438309,21.5315780639648,0.291401535272598,0.510657250881195,11.9989995956421,0.309320777654648,10.1447868347168,1.29610908031464,0.228400766849518,0.476131021976471,3.9799542427063,10.0596103668213,2.26090788841248
InChI%3D1S%2FC12H14O4%2Fc1-2-9%2813-5-11-7-15-11%294-10%283-1%2914-6-12-8-16-12%2Fh1-4%2C11-12H%2C5-8H2,74.7860336303711,0.029143126681447,14.8265104293823,0.510223031044006,-0.391443938016891,15.9989681243896,0.123990185558796,40.8571472167969,0.385150015354156,0.398881435394287,11.996711730957,0.310710489749908,8.2209587097168,1.29855012893677,0.107248842716217,0.588958144187927,4.70726680755615,17.5074901580811,2.17075705528259
InChI%3D1S%2FC7H8N2O3%2Fc1-12-7-3-2-5%289%2810%2911%294-6%287%298%2Fh2-4H%2C8H2%2C1H3,23.9552326202393,0.0107141258195043,5.48317766189575,0.0869079977273941,-0.372166901826859,16.0169315338135,0.313312917947769,14.6326169967651,0.256979703903198,0.448170512914658,11.9989995956421,0.115243017673492,8.158766746521,1.04629945755005,0.175470590591431,0.482885956764221,3.57327485084534,8.11153411865234,2.54144835472107
InChI%3D1S%2FC6H7N%2Fc7-6-4-2-1-3-5-6%2Fh1-5H%2C7H2,10.8196048736572,0.00177360558882356,3.11505794525146,0.00881668832153082,-0.302463263273239,14.003077507019,0.371587008237839,5.7978196144104,0.219979539513588,0.494464188814163,11.8500003814697,0.275611728429794,7.33338356018066,1.3004184961319,0.0978959873318672,0.530342638492584,5.40718269348145,4.97105360031128,1.84717881679535
InChI%3D1S%2FC7H6N2O4%2Fc1-5-6%288%2810%2911%293-2-4-7%285%299%2812%2913%2Fh2-4H%2C1H3,21.8157863616943,0.0371074303984642,3.56142926216125,0.25259917974472,-0.132685780525208,15.9979257583618,0.439710050821304,12.3158092498779,0.142386898398399,0.498851299285889,11.8900003433228,0.349990248680115,8.60916996002197,1.32113099098206,0.164609462022781,0.472289383411407,3.71671867370605,6.80724048614502,2.9932119846344