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

SMILES,NumberOfHal,MolecularWeight,HeteroCycles,MolarRefractivity,RotatableBonds,FractionRotatableBonds,LogP,NumberOfAtoms,TopologicalDiameter,GraphShapeCoefficient,PolarSurfaceArea,NumberOfBonds,ZagrebIndex1,HBD1,HBD2,BasicGroups,HeavyBonds,AromaticOHGroups,AliphaticOHGroups,KierShape1,HBA1,KierShape2,HBA2,HydrophobicGroups,KierShape3
InChI%3D1S%2FC12H19N%2Fc1-8%282%2910-6-5-7-11%289%283%294%2912%2810%2913%2Fh5-9H%2C13H2%2C1-4H3,0.0,158.138996124268,0.0,59.0324,2.0,0.153846153846154,3.5156,13.0,6.0,5.0,26.02,13.0,62.0,1.0,0.0,0.0,13.0,0.0,0.0,11.0769230769231,1.0,4.48148148148148,1.0,0.0,2.47933884297521
InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H,0.0,120.109996795654,0.0,43.948,0.0,0.0,2.8398,10.0,5.0,4.0,0.0,11.0,50.0,0.0,0.0,0.0,11.0,0.0,0.0,6.69421487603306,0.0,2.93877551020408,0.0,0.0,1.38271604938272
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,5.0,361.417990684509,0.0,86.1928,3.0,0.142857142857143,5.5995,20.0,10.0,9.0,20.23,21.0,106.0,1.0,1.0,0.0,21.0,0.0,1.0,16.3718820861678,1.0,6.01171875,1.0,0.0,3.27662105889352
InChI%3D1S%2FC8H17Br%2Fc1-2-3-4-5-6-7-8-9%2Fh2-8H2%2C1H3,1.0,175.991996765137,0.0,47.17,6.0,0.75,3.7418,9.0,8.0,7.0,0.0,8.0,30.0,0.0,0.0,0.0,8.0,0.0,0.0,9.0,0.0,8.0,0.0,6.0,8.0
InChI%3D1S%2FC7H5NO4%2Fc9-4-5-3-6%2810%291-2-7%285%298%2811%2912%2Fh1-4%2C10H,0.0,162.079996109009,0.0,42.3163,2.0,0.166666666666667,1.6361,12.0,6.0,5.0,83.12,12.0,56.0,1.0,1.0,0.0,12.0,1.0,0.0,10.0833333333333,4.0,4.296875,2.0,0.0,2.49307479224377
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%29,0.0,220.142994880676,1.0,58.317,2.0,0.111111111111111,1.2522,17.0,8.0,7.0,82.25,18.0,88.0,2.0,2.0,0.0,18.0,0.0,2.0,13.4320987654321,5.0,5.32544378698225,5.0,1.0,2.29072315558802
InChI%3D1S%2FC9H10O%2Fc1-2-5-8-6-3-4-7-9%288%2910%2Fh2-4%2C6-7%2C10H%2C1%2C5H2,0.0,124.097996711731,0.0,42.0078,2.0,0.2,2.1207,10.0,6.0,5.0,20.23,10.0,44.0,1.0,1.0,0.0,10.0,1.0,0.0,8.1,1.0,4.0,1.0,0.0,2.28571428571429
InChI%3D1S%2FC9H10O3%2Fc1-2-12-9-5-7%286-10%293-4-8%289%2911%2Fh3-6%2C11H%2C2H2%2C1H3,0.0,156.095995903015,0.0,44.6633,3.0,0.25,1.6034,12.0,7.0,6.0,46.53,12.0,54.0,1.0,1.0,0.0,12.0,1.0,0.0,10.0833333333333,3.0,4.88888888888889,3.0,0.0,2.77777777777778
InChI%3D1S%2FC6H12O%2Fc7-6-4-2-1-3-5-6%2Fh6-7H%2C1-5H2,0.0,88.0649976730347,0.0,29.0918,0.0,0.0,1.3114,7.0,4.0,3.0,20.23,7.0,30.0,1.0,1.0,0.0,7.0,0.0,1.0,5.14285714285714,1.0,2.34375,1.0,3.0,1.5
InChI%3D1S%2FC7H5ClO%2Fc8-7-3-1-6%285-9%292-4-7%2Fh1-5H,1.0,135.52899646759,0.0,36.8395,1.0,0.111111111111111,2.1525,9.0,6.0,5.0,17.07,9.0,40.0,0.0,0.0,0.0,9.0,0.0,0.0,7.11111111111111,1.0,3.2396694214876,1.0,0.0,2.0
InChI%3D1S%2FC12H10S2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10H,0.0,208.265998840332,0.0,64.598,3.0,0.2,4.486,14.0,9.0,8.0,50.6,15.0,66.0,0.0,0.0,0.0,15.0,0.0,0.0,10.5155555555556,2.0,5.77777777777778,2.0,0.0,3.59183673469388
InChI%3D1S%2FC6H7N%2Fc1-6-3-2-4-7-5-6%2Fh2-5H%2C1H3,0.0,86.072998046875,1.0,28.974,0.0,0.0,1.39,7.0,4.0,3.0,12.89,7.0,30.0,0.0,0.0,0.0,7.0,0.0,0.0,5.14285714285714,1.0,2.34375,1.0,0.0,1.5
InChI%3D1S%2FC6H7ClN.HI%2Fc1-8-5-3-2-4-6%288%297%3B%2Fh2-5H%2C1H3%3B1H%2Fq%2B1%3B%2Fp-1,1.0,121.525997161865,1.0,34.762,0.0,0.0,1.1645,8.0,4.0,3.0,3.88,8.0,36.0,0.0,0.0,0.0,8.0,0.0,0.0,6.125,0.0,2.52,0.0,0.0,1.48760330578512
InChI%3D1S%2FC8H10O2%2Fc9-6-7-10-8-4-2-1-3-5-8%2Fh1-5%2C9H%2C6-7H2,0.0,128.085996627808,0.0,39.0228,3.0,0.3,1.0577,10.0,7.0,6.0,29.46,10.0,42.0,1.0,1.0,0.0,10.0,0.0,1.0,8.1,2.0,4.7603305785124,2.0,0.0,3.11111111111111
InChI%3D1S%2FC18H39O7P%2Fc1-4-7-10-20-13-16-23-26%2819%2C24-17-14-21-11-8-5-2%2925-18-15-22-12-9-6-3%2Fh4-18H2%2C1-3H3,0.0,359.164992332458,0.0,102.6435,21.0,0.84,4.5944,26.0,16.0,15.0,82.26,25.0,104.0,0.0,0.0,0.0,25.0,0.0,0.0,26.0,7.0,19.7530864197531,7.0,6.0,18.1728395061728
InChI%3D1S%2FC9H10O3%2Fc1-11-8-4-3-7%286-10%299%285-8%2912-2%2Fh3-6H%2C1-2H3,0.0,156.095995903015,0.0,44.9335,3.0,0.25,1.5163,12.0,7.0,6.0,35.53,12.0,54.0,0.0,0.0,0.0,12.0,0.0,0.0,10.0833333333333,3.0,4.88888888888889,3.0,0.0,2.49307479224377
InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298,6.0,236.739994049072,0.0,40.58,1.0,0.142857142857143,3.7268,8.0,3.0,2.0,0.0,7.0,38.0,0.0,0.0,0.0,7.0,0.0,0.0,8.0,0.0,1.75,0.0,0.0,2.22222222222222
InChI%3D1S%2FC5H8F4O%2Fc1-4%282%2C10%295%288%2C9%293%286%297%2Fh3%2C10H%2C1-2H3,4.0,152.045994758606,0.0,27.2488,2.0,0.222222222222222,1.6577,10.0,4.0,3.0,20.23,9.0,48.0,1.0,1.0,0.0,9.0,0.0,1.0,10.0,1.0,2.56,1.0,0.0,1.99111111111111
InChI%3D1S%2FC15H24O%2Fc1-10-8-11%2814%282%2C3%294%2913%2816%2912%289-10%2915%285%2C6%297%2Fh8-9%2C16H%2C1-7H3,0.0,196.163994789124,0.0,70.2438,2.0,0.125,4.2956,16.0,6.0,5.0,20.23,16.0,84.0,1.0,1.0,0.0,16.0,1.0,0.0,14.0625,1.0,4.3491124260355,1.0,0.0,3.25
InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H,0.0,104.063997268677,0.0,29.7716,0.0,0.0,1.0978,8.0,4.0,3.0,40.46,8.0,36.0,2.0,2.0,0.0,8.0,2.0,0.0,6.125,2.0,2.52,2.0,0.0,1.48760330578512
InChI%3D1S%2FC7H5Cl2NO%2Fc8-4-2-1-3-5%289%296%284%297%2810%2911%2Fh1-3H%2C%28H2%2C10%2C11%29,2.0,184.988995552063,0.0,45.9195,1.0,0.0909090909090909,2.8768,11.0,5.0,4.0,44.08,11.0,52.0,2.0,2.0,0.0,11.0,0.0,1.0,9.09090909090909,2.0,3.6,2.0,0.0,1.97530864197531
InChI%3D1S%2FC19H12O6%2Fc20-16-10-5-1-3-7-14%2810%2924-18%2822%2912%2816%299-13-17%2821%2911-6-2-4-8-15%2811%2925-19%2813%2923%2Fh1-8%2C20-21H%2C9H2,0.0,324.202991485596,2.0,91.1036,2.0,0.0714285714285714,2.9014,25.0,12.0,11.0,100.88,28.0,138.0,2.0,2.0,0.0,28.0,2.0,0.0,18.3673469387755,4.0,7.55264723378941,6.0,0.0,3.45303210463734
InChI%3D1S%2FC2H2ClN%2Fc3-1-2-4%2Fh1H2,1.0,73.4819984436035,0.0,16.333,0.0,0.0,0.74878,4.0,3.0,2.0,23.79,3.0,10.0,0.0,0.0,0.0,3.0,0.0,0.0,4.0,1.0,3.0,1.0,0.0,4.0
InChI%3D1S%2FC7H5NO4%2Fc9-6%2810%294-2-1-3-5%288-4%297%2811%2912%2Fh1-3H%2C%28H%2C9%2C10%29%28H%2C11%2C12%29,0.0,162.079996109009,1.0,34.271,2.0,0.166666666666667,-2.1914,12.0,6.0,5.0,93.15,12.0,56.0,0.0,2.0,0.0,12.0,0.0,0.0,10.0833333333333,3.0,4.296875,5.0,0.0,2.77777777777778
InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H,0.0,160.130995750427,0.0,53.5428,1.0,0.0714285714285714,3.0592,13.0,7.0,6.0,20.23,14.0,64.0,1.0,1.0,0.0,14.0,1.0,0.0,9.55102040816327,1.0,4.48148148148148,1.0,0.0,2.26843100189036
InChI%3D1S%2FC13H29NO4%2Fc1-6-15-12%2816-7-2%2910-14%285%2911-13%2817-8-3%2918-9-4%2Fh12-13H%2C6-11H2%2C1-5H3,0.0,234.145994186401,0.0,72.8347,12.0,0.705882352941177,0.299300000000001,18.0,10.0,9.0,41.36,17.0,72.0,1.0,1.0,1.0,17.0,0.0,0.0,18.0,4.0,12.0554016620499,4.0,0.0,9.6
InChI%3D1S%2FC10H12O%2Fc1-8%282%2910-5-3-9%287-11%294-6-10%2Fh3-8H%2C1-2H3,0.0,136.108996391296,0.0,45.9185,2.0,0.181818181818182,2.6225,11.0,7.0,6.0,17.07,11.0,50.0,0.0,0.0,0.0,11.0,0.0,0.0,9.09090909090909,1.0,4.13265306122449,1.0,0.0,2.5
InChI%3D1S%2FC7H14O%2Fc1-4-6%282%297%283%295-8%2Fh5-7H%2C4H2%2C1-3H3,0.0,100.0759973526,0.0,34.683,3.0,0.428571428571429,1.8675,8.0,5.0,4.0,17.07,7.0,30.0,0.0,0.0,0.0,7.0,0.0,0.0,8.0,1.0,3.9375,1.0,5.0,2.8125
InChI%3D1S%2FC16H25NO2%2Fc1-3-4-5-6-7-10-13-19-16-12-9-8-11-15%2816%2917-14%282%2918%2Fh8-9%2C11-12H%2C3-7%2C10%2C13H2%2C1-2H3%2C%28H%2C17%2C18%29,0.0,238.180994033813,0.0,80.7108,9.0,0.473684210526316,5.0338,19.0,13.0,12.0,41.82,19.0,82.0,1.0,1.0,0.0,19.0,0.0,1.0,17.0526315789474,3.0,10.7479338842975,3.0,6.0,8.0
InChI%3D1S%2FC4H9Br%2Fc1-2-3-4-5%2Fh2-4H2%2C1H3,1.0,127.947998046875,0.0,28.702,2.0,0.5,2.1814,5.0,4.0,3.0,0.0,4.0,14.0,0.0,0.0,0.0,4.0,0.0,0.0,5.0,0.0,4.0,0.0,2.0,4.0
InChI%3D1S%2FC9H16O2%2Fc1-3-5-6-7-8-11-9%2810%294-2%2Fh4H%2C2-3%2C5-8H2%2C1H3,0.0,140.096996307373,0.0,45.298,7.0,0.7,2.2959,11.0,9.0,8.0,26.3,10.0,40.0,0.0,0.0,0.0,10.0,0.0,0.0,11.0,2.0,8.1,2.0,4.0,7.90123456790123
InChI%3D1S%2FC10H22N2%2Fc1-9%282%2C11%298-4-6-10%283%2C12%297-5-8%2Fh8H%2C4-7%2C11-12H2%2C1-3H3,0.0,148.123996734619,0.0,54.4862,1.0,0.0833333333333333,0.1977,12.0,6.0,5.0,55.28,12.0,62.0,2.0,0.0,0.0,12.0,0.0,0.0,10.0833333333333,0.0,3.04709141274238,0.0,2.0,2.77777777777778
InChI%3D1S%2FC12H8F2O%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H,2.0,198.126994132996,0.0,52.874,2.0,0.125,3.7571,15.0,10.0,9.0,9.23,16.0,74.0,0.0,0.0,0.0,16.0,0.0,0.0,11.484375,1.0,5.36507936507936,1.0,0.0,3.5
InChI%3D1S%2FC5H10O%2Fc1-2-3-4-5-6%2Fh5H%2C2-4H2%2C1H3,0.0,76.0539979934692,0.0,25.589,3.0,0.6,1.3755,6.0,5.0,4.0,17.07,5.0,18.0,0.0,0.0,0.0,5.0,0.0,0.0,6.0,1.0,5.0,1.0,3.0,5.33333333333333
InChI%3D1S%2FC8H10N2O3%2Fc1-2-13-6-3-4-7%289%298%285-6%2910%2811%2912%2Fh3-5H%2C2%2C9H2%2C1H3,0.0,172.098996162415,0.0,50.8454,3.0,0.230769230769231,2.0989,13.0,7.0,6.0,81.07,13.0,60.0,1.0,0.0,0.0,13.0,0.0,0.0,11.0769230769231,4.0,5.0242214532872,2.0,0.0,3.0
InChI%3D1S%2FC8H18S2%2Fc1-9-7-5-3-4-6-8-10-2%2Fh3-8H2%2C1-2H3,0.0,160.22200012207,0.0,55.232,7.0,0.777777777777778,3.2728,10.0,9.0,8.0,50.6,9.0,34.0,0.0,0.0,0.0,9.0,0.0,0.0,10.0,2.0,9.0,2.0,2.0,9.14285714285714
InChI%3D1S%2FC3H7Br%2Fc1-2-3-4%2Fh2-3H2%2C1H3,1.0,115.93699836731,0.0,24.085,1.0,0.333333333333333,1.7913,4.0,3.0,2.0,0.0,3.0,10.0,0.0,0.0,0.0,3.0,0.0,0.0,4.0,0.0,3.0,0.0,1.0,4.0
InChI%3D1S%2FC6H12%2Fc1-2-4-6-5-3-1%2Fh1-6H2,0.0,72.0659980773926,0.0,27.702,0.0,0.0,2.3406,6.0,3.0,2.0,0.0,6.0,24.0,0.0,0.0,0.0,6.0,0.0,0.0,4.16666666666667,0.0,2.22222222222222,0.0,6.0,1.33333333333333
InChI%3D1S%2FC3H5N%2Fc1-2-3-4%2Fh2H2%2C1H3,0.0,50.0399990081787,0.0,15.904,0.0,0.0,0.91998,4.0,3.0,2.0,23.79,3.0,10.0,0.0,0.0,0.0,3.0,0.0,0.0,4.0,1.0,3.0,1.0,1.0,4.0
InChI%3D1S%2FC5H4ClNO%2Fc6-5-4%288%292-1-3-7-5%2Fh1-3%2C8H,1.0,125.513997077942,1.0,30.9118,0.0,0.0,1.4406,8.0,4.0,3.0,33.12,8.0,36.0,1.0,1.0,0.0,8.0,1.0,0.0,6.125,2.0,2.52,2.0,0.0,1.48760330578512
InChI%3D1S%2FC12H17NO%2Fc1-4-13%285-2%2912%2814%2911-8-6-7-10%283%299-11%2Fh6-9H%2C4-5H2%2C1-3H3,0.0,174.13799571991,0.0,58.4305,4.0,0.285714285714286,2.477,14.0,7.0,6.0,20.31,14.0,64.0,0.0,0.0,0.0,14.0,0.0,0.0,12.0714285714286,2.0,5.77777777777778,2.0,0.0,3.27272727272727
InChI%3D1S%2FC5H12O%2Fc1-5%282%2C3%296-4%2Fh1-4H3,0.0,76.0539979934692,0.0,26.762,1.0,0.2,1.4313,6.0,3.0,2.0,9.23,5.0,24.0,0.0,0.0,0.0,5.0,0.0,0.0,6.0,1.0,1.63265306122449,1.0,0.0,5.33333333333333
InChI%3D1S%2FC12H10N2O%2Fc15-12-8-6-11%287-9-12%2914-13-10-4-2-1-3-5-10%2Fh1-9%2C15H%2Fb14-13-,0.0,188.144995689392,0.0,58.7248,2.0,0.125,3.8076,15.0,10.0,9.0,44.95,16.0,72.0,1.0,1.0,0.0,16.0,1.0,0.0,11.484375,3.0,5.915,3.0,0.0,3.8109640831758
InChI%3D1S%2FC4H6Cl2%2Fc1-4%282-5%293-6%2Fh1-3H2,2.0,118.949996948242,0.0,30.58,2.0,0.4,2.0202,6.0,4.0,3.0,0.0,5.0,20.0,0.0,0.0,0.0,5.0,0.0,0.0,6.0,0.0,3.2,0.0,0.0,3.0
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InChI%3D1S%2FC7H6O3.Na%2Fc8-6-4-2-1-3-5%286%297%289%2910%3B%2Fh1-4%2C8H%2C%28H%2C9%2C10%29%3B%2Fq%3B%2B1%2Fp-1,0.0,132.073996543884,0.0,31.5915,1.0,0.1,0.1939,10.0,5.0,4.0,63.19,10.0,46.0,0.0,2.0,0.0,10.0,0.0,0.0,8.1,1.0,3.40828402366864,3.0,0.0,1.99111111111111
InChI%3D1S%2FC3H6Br2O%2Fc4-1-3%285%292-6%2Fh3%2C6H%2C1-2H2,2.0,211.839997291565,0.0,33.5948,2.0,0.4,1.1371,6.0,4.0,3.0,20.23,5.0,20.0,1.0,1.0,0.0,5.0,0.0,1.0,6.0,1.0,3.2,1.0,0.0,3.0
InChI%3D1S%2FC2HCl5%2Fc3-1%284%292%285%2C6%297%2Fh1H,5.0,201.286994934082,0.0,35.784,1.0,0.166666666666667,3.1603,7.0,3.0,2.0,0.0,6.0,30.0,0.0,0.0,0.0,6.0,0.0,0.0,7.0,0.0,1.85185185185185,0.0,0.0,2.66666666666667
InChI%3D1S%2FC8H10O%2Fc1-2-7-3-5-8%289%296-4-7%2Fh3-6%2C9H%2C2H2%2C1H3,0.0,112.086997032166,0.0,37.4848,1.0,0.111111111111111,1.9546,9.0,6.0,5.0,20.23,9.0,40.0,1.0,1.0,0.0,9.0,1.0,0.0,7.11111111111111,1.0,3.2396694214876,1.0,0.0,2.0
InChI%3D1S%2FC10H8O%2Fc11-10-7-3-5-8-4-1-2-6-9%288%2910%2Fh1-7%2C11H,0.0,136.108996391296,0.0,45.6128,0.0,0.0,2.5454,11.0,5.0,4.0,20.23,12.0,56.0,1.0,1.0,0.0,12.0,1.0,0.0,7.63888888888889,1.0,3.1640625,1.0,0.0,1.45124716553288
InChI%3D1S%2FC4H5N%2Fc1-2-3-4-5%2Fh2H%2C1%2C3H2,0.0,62.0509986877441,0.0,20.427,1.0,0.25,1.08608,5.0,4.0,3.0,23.79,4.0,14.0,0.0,0.0,0.0,4.0,0.0,0.0,5.0,1.0,4.0,1.0,0.0,4.0
InChI%3D1S%2FC8H4F3N%2Fc9-8%2810%2C11%297-3-1-2-6%284-7%295-12%2Fh1-4H,3.0,167.088994979858,0.0,36.159,1.0,0.0833333333333333,2.57708,12.0,6.0,5.0,23.79,12.0,58.0,0.0,0.0,0.0,12.0,0.0,0.0,10.0833333333333,1.0,3.80622837370242,1.0,0.0,2.77777777777778
InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3,0.0,176.086996078491,0.0,48.823,2.0,0.153846153846154,2.8578,13.0,6.0,5.0,91.64,13.0,62.0,0.0,0.0,0.0,13.0,0.0,0.0,11.0769230769231,4.0,4.48148148148148,0.0,0.0,2.72108843537415
InChI%3D1S%2FC7H6BrNO%2Fc8-6-3-1-2-5%284-6%297%289%2910%2Fh1-4H%2C%28H2%2C9%2C10%29,1.0,193.986996650696,0.0,43.5995,1.0,0.1,2.3325,10.0,5.0,4.0,44.08,10.0,46.0,2.0,2.0,0.0,10.0,0.0,1.0,8.1,2.0,3.40828402366864,2.0,0.0,2.28571428571429
InChI%3D1S%2FC8H6ClNO4%2Fc1-14-8%2811%296-3-2-5%289%294-7%286%2910%2812%2913%2Fh2-4H%2C1H3,1.0,209.543994903564,0.0,51.6135,3.0,0.214285714285714,2.558,14.0,7.0,6.0,72.12,14.0,66.0,0.0,0.0,0.0,14.0,0.0,0.0,12.0714285714286,4.0,5.18559556786704,2.0,0.0,2.99432892249527
InChI%3D1S%2FC10H24N4%2Fc11-3-1-5-13-7-9-14%2810-8-13%296-2-4-12%2Fh1-12H2,0.0,176.137996673584,1.0,59.378,6.0,0.428571428571429,-1.8278,14.0,11.0,10.0,64.16,14.0,60.0,4.0,2.0,2.0,14.0,0.0,0.0,12.0714285714286,0.0,7.3125,0.0,0.0,4.88888888888889
InChI%3D1S%2FC10H18O4%2Fc1-3-13-9%2811%297-5-6-8-10%2812%2914-4-2%2Fh3-8H2%2C1-2H3,0.0,184.105995178223,0.0,51.734,9.0,0.692307692307692,1.673,14.0,11.0,10.0,52.6,13.0,54.0,0.0,0.0,0.0,13.0,0.0,0.0,14.0,4.0,9.55102040816327,4.0,2.0,9.37278106508876
InChI%3D1S%2FC6H4Cl2O%2Fc7-4-1-2-6%289%295%288%293-4%2Fh1-3%2C9H,2.0,158.970995903015,0.0,38.1268,0.0,0.0,2.699,9.0,5.0,4.0,20.23,9.0,42.0,1.0,1.0,0.0,9.0,1.0,0.0,7.11111111111111,1.0,2.72222222222222,1.0,0.0,1.70414201183432
InChI%3D1S%2FC7H12O%2Fc8-7-4-5-1-2-6%287%293-5%2Fh5-8H%2C1-4H2%2Ft5-%2C6%2B%2C7%2B%2Fm0%2Fs1,0.0,100.0759973526,0.0,31.4548,0.0,0.0,1.1673,8.0,4.0,3.0,20.23,9.0,44.0,1.0,1.0,0.0,9.0,0.0,1.0,4.83950617283951,1.0,1.49112426035503,1.0,4.0,0.622837370242215
InChI%3D1S%2FC8H19NO%2Fc1-7%282%299%285-6-10%298%283%294%2Fh7-8%2C10H%2C5-6H2%2C1-4H3,0.0,126.093997001648,0.0,45.3215,4.0,0.444444444444444,-0.3196,10.0,5.0,4.0,24.67,9.0,40.0,2.0,2.0,1.0,9.0,0.0,1.0,10.0,1.0,4.7603305785124,1.0,0.0,3.70247933884298
InChI%3D1S%2FC17H13N%2Fc1-3-8-14%289-4-1%2916-12-7-13-17%2818-16%2915-10-5-2-6-11-15%2Fh1-13H,0.0,218.193994522095,1.0,75.109,2.0,0.1,4.4156,18.0,10.0,9.0,12.89,20.0,92.0,0.0,0.0,0.0,20.0,0.0,0.0,13.005,1.0,6.43786982248521,1.0,0.0,3.32179930795848
InChI%3D1S%2FC8H19O3PS2%2Fc1-4-10-12%289%2C11-5-2%2914-8-7-13-6-3%2Fh4-8H2%2C1-3H3,0.0,239.192999839783,0.0,66.3155,9.0,0.692307692307692,3.6538,14.0,9.0,8.0,95.94,13.0,56.0,0.0,0.0,0.0,13.0,0.0,0.0,14.0,5.0,8.32,5.0,0.0,7.04
InChI%3D1S%2FC5H13N%2Fc1-4%282%295%283%296%2Fh4-5H%2C6H2%2C1-3H3,0.0,74.0619983673096,0.0,29.3221,1.0,0.2,0.2728,6.0,3.0,2.0,27.64,5.0,22.0,1.0,0.0,0.0,5.0,0.0,0.0,6.0,0.0,2.22222222222222,0.0,2.0,3.0
InChI%3D1S%2FC16H22O4%2Fc1-3-5-11-19-15%2817%2913-9-7-8-10-14%2813%2916%2818%2920-12-6-4-2%2Fh7-10H%2C3-6%2C11-12H2%2C1-2H3,0.0,256.171993255615,0.0,76.823,10.0,0.5,3.6004,20.0,13.0,12.0,52.6,20.0,88.0,0.0,0.0,0.0,20.0,0.0,0.0,18.05,4.0,10.6875,4.0,4.0,6.54934601664685
InChI%3D1S%2FC9H12%2Fc1-8%282%299-6-4-3-5-7-9%2Fh3-8H%2C1-2H3,0.0,108.098997116089,0.0,40.531,1.0,0.111111111111111,2.81,9.0,5.0,4.0,0.0,9.0,40.0,0.0,0.0,0.0,9.0,0.0,0.0,7.11111111111111,0.0,3.2396694214876,0.0,0.0,2.0
InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H,5.0,265.329993247986,0.0,53.1568,0.0,0.0,4.6592,12.0,5.0,4.0,20.23,12.0,60.0,1.0,1.0,0.0,12.0,1.0,0.0,10.0833333333333,1.0,3.39506172839506,1.0,0.0,1.5625
InChI%3D1S%2FC5H12ClN.ClH%2Fc1-7%282%295-3-4-6%3B%2Fh3-5H2%2C1-2H3%3B1H,1.0,109.5149974823,0.0,35.1487,3.0,0.5,-0.2402,7.0,5.0,4.0,4.44,6.0,24.0,1.0,1.0,1.0,6.0,0.0,0.0,7.0,0.0,4.16666666666667,0.0,0.0,6.0
InChI%3D1S%2FC10H9NO6%2Fc1-16-9%2812%296-3-4-7%2810%2813%2917-2%298%285-6%2911%2814%2915%2Fh3-5H%2C1-2H3,0.0,230.110994338989,0.0,57.943,5.0,0.294117647058824,1.6912,17.0,9.0,8.0,98.42,17.0,80.0,0.0,0.0,0.0,17.0,0.0,0.0,15.0588235294118,6.0,6.80529300567108,4.0,0.0,3.72889417360285
InChI%3D1S%2FC5H4BrNO%2Fc6-5-4%288%292-1-3-7-5%2Fh1-3%2C8H,1.0,169.964997291565,1.0,33.6018,0.0,0.0,1.5497,8.0,4.0,3.0,33.12,8.0,36.0,1.0,1.0,0.0,8.0,1.0,0.0,6.125,2.0,2.52,2.0,0.0,1.48760330578512
InChI%3D1S%2FC4H8O%2Fc1-2-3-4-5%2Fh4H%2C2-3H2%2C1H3,0.0,64.0429983139038,0.0,20.972,2.0,0.5,0.9854,5.0,4.0,3.0,17.07,4.0,14.0,0.0,0.0,0.0,4.0,0.0,0.0,5.0,1.0,4.0,1.0,2.0,4.0
InChI%3D1S%2FC7H4ClNS2%2Fc8-4-1-2-6-5%283-4%299-7%2810%2911-6%2Fh1-3H%2C%28H%2C9%2C10%29,1.0,197.670999526978,1.0,51.882,0.0,0.0,3.2384,11.0,6.0,5.0,79.93,12.0,58.0,1.0,1.0,0.0,12.0,0.0,0.0,7.63888888888889,2.0,2.80276816608997,3.0,0.0,1.45124716553288
InChI%3D1S%2FC6H3Cl4N%2Fc7-2-1-3%288%295%2810%296%2811%294%282%299%2Fh1H%2C11H2,4.0,227.884994506836,0.0,50.8944,0.0,0.0,3.8824,11.0,5.0,4.0,26.02,11.0,54.0,1.0,0.0,0.0,11.0,0.0,0.0,9.09090909090909,1.0,3.1640625,1.0,0.0,1.6
InChI%3D1S%2FC10H6N2O5.Na.2H2O%2Fc13-10-7-4-2-1-3-6%287%298%2811%2814%2915%295-9%2810%2912%2816%2917%3B%3B%3B%2Fh1-5%2C13H%3B%3B2%2A1H2%2Fq%3B%2B1%3B%3B%2Fp-1,0.0,228.11899471283,0.0,61.7245,2.0,0.111111111111111,3.8464,17.0,7.0,6.0,114.7,18.0,88.0,0.0,1.0,0.0,18.0,0.0,0.0,13.4320987654321,4.0,5.32544378698225,1.0,0.0,2.56
InChI%3D1S%2FC10H17N%2Fc11-10-4-7-1-8%285-10%293-9%282-7%296-10%2Fh7-9H%2C1-6%2C11H2,0.0,134.116996765137,0.0,45.9251,0.0,0.0,1.1971,11.0,4.0,3.0,27.64,13.0,68.0,1.0,0.0,0.0,13.0,0.0,0.0,6.50887573964497,0.0,1.83673469387755,0.0,6.0,0.877914951989026
InChI%3D1S%2FC20H30O2%2Fc1-13%282%2914-6-8-16-15%2812-14%297-9-17-19%2816%2C3%2910-5-11-20%2817%2C4%2918%2821%2922%2Fh7%2C12-13%2C16-17H%2C5-6%2C8-11H2%2C1-4H3%2C%28H%2C21%2C22%29%2Ft16-%2C17%2B%2C19%2B%2C20%2B%2Fm0%2Fs1,0.0,272.217992782593,0.0,87.5935,2.0,0.0833333333333333,3.8715,22.0,10.0,9.0,40.13,24.0,124.0,0.0,1.0,0.0,24.0,0.0,0.0,16.84375,1.0,5.81717451523546,2.0,10.0,2.60631001371742
InChI%3D1S%2FC15H12O%2Fc1-2-15%2816%2C13-9-5-3-6-10-13%2914-11-7-4-8-12-14%2Fh1%2C3-12%2C16H,0.0,196.163994789124,0.0,64.7158,2.0,0.117647058823529,2.5557,16.0,8.0,7.0,20.23,17.0,80.0,1.0,1.0,0.0,17.0,0.0,1.0,12.4567474048443,1.0,5.55765595463138,1.0,0.0,2.65140478668054
InChI%3D1S%2FC5H4ClNO%2Fc6-4-2-1-3-5%288%297-4%2Fh1-3H%2C%28H%2C7%2C8%29,1.0,125.513997077942,1.0,30.9118,0.0,0.0,1.4406,8.0,4.0,3.0,33.12,8.0,36.0,1.0,1.0,0.0,8.0,1.0,0.0,6.125,2.0,2.52,2.0,0.0,1.8
InChI%3D1S%2FC12H21N2O3PS%2Fc1-6-15-18%2819%2C16-7-2%2917-11-8-10%285%2913-12%2814-11%299%283%294%2Fh8-9H%2C6-7H2%2C1-5H3,0.0,283.183997154236,1.0,79.249,7.0,0.368421052631579,4.2353,19.0,9.0,8.0,95.37,19.0,90.0,0.0,0.0,0.0,19.0,0.0,0.0,17.0526315789474,6.0,7.69526627218935,6.0,0.0,5.47919143876338
InChI%3D1S%2FC8H10%2Fc1-7-3-5-8%282%296-4-7%2Fh3-6H%2C1-2H3,0.0,96.0879974365234,0.0,35.916,0.0,0.0,2.3034,8.0,5.0,4.0,0.0,8.0,36.0,0.0,0.0,0.0,8.0,0.0,0.0,6.125,0.0,2.52,0.0,0.0,1.8
InChI%3D1S%2FC6H5NO%2Fc8-5-6-2-1-3-7-4-6%2Fh1-5H,0.0,102.071997642517,1.0,29.6245,1.0,0.125,0.8941,8.0,5.0,4.0,29.96,8.0,34.0,0.0,0.0,0.0,8.0,0.0,0.0,6.125,2.0,3.11111111111111,2.0,0.0,1.8
InChI%3D1S%2FC8H19N%2Fc1-3-4-5-6-7-8%282%299%2Fh8H%2C3-7%2C9H2%2C1-2H3,0.0,110.094997406006,0.0,43.2431,5.0,0.625,1.5872,9.0,7.0,6.0,27.64,8.0,32.0,1.0,0.0,0.0,8.0,0.0,0.0,9.0,0.0,6.125,0.0,5.0,8.0
InChI%3D1S%2FC20H30O2%2Fc1-13%282%2914-6-8-16-15%2812-14%297-9-17-19%2816%2C3%2910-5-11-20%2817%2C4%2918%2821%2922%2Fh12%2C16-17H%2C5-11H2%2C1-4H3%2C%28H%2C21%2C22%29%2Ft16-%2C17%2B%2C19%2B%2C20%2B%2Fm0%2Fs1,0.0,272.217992782593,0.0,87.6635,1.0,0.0416666666666667,4.0156,22.0,10.0,9.0,40.13,24.0,124.0,0.0,1.0,0.0,24.0,0.0,0.0,16.84375,1.0,5.81717451523546,2.0,9.0,2.60631001371742
InChI%3D1S%2FC10H18O2%2Fc1-2-3-4-5-6-9-7-8-10%2811%2912-9%2Fh9H%2C2-8H2%2C1H3,0.0,152.107995986938,1.0,47.873,5.0,0.416666666666667,2.6624,12.0,9.0,8.0,26.3,12.0,52.0,0.0,0.0,0.0,12.0,0.0,0.0,10.0833333333333,2.0,5.61224489795918,2.0,5.0,4.0
InChI%3D1S%2FC12H16%2Fc1-5-10-6-8-11%289-7-10%2912%282%2C3%294%2Fh5-9H%2C1H2%2C2-4H3,0.0,144.131996154785,0.0,55.233,2.0,0.166666666666667,3.6271,12.0,7.0,6.0,0.0,12.0,58.0,0.0,0.0,0.0,12.0,0.0,0.0,10.0833333333333,0.0,3.80622837370242,0.0,0.0,2.77777777777778
InChI%3D1S%2FC11H15NO%2Fc1-3-12%284-2%2911-7-5-10%289-13%296-8-11%2Fh5-9H%2C3-4H2%2C1-2H3,0.0,162.126996040344,0.0,55.3905,4.0,0.307692307692308,2.3453,13.0,8.0,7.0,20.31,13.0,58.0,0.0,0.0,0.0,13.0,0.0,0.0,11.0769230769231,2.0,5.671875,2.0,0.0,3.0
InChI%3D1S%2FC7H3Br2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H,2.0,273.890995979309,0.0,48.2218,0.0,0.0,2.78888,11.0,6.0,5.0,44.02,11.0,52.0,1.0,1.0,0.0,11.0,1.0,0.0,9.09090909090909,2.0,3.6,2.0,0.0,1.97530864197531
InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-3-6%288%295-7%2Fh2-5%2C8H%2C1H3,0.0,116.074996948242,0.0,34.6588,1.0,0.111111111111111,1.4008,9.0,5.0,4.0,29.46,9.0,40.0,1.0,1.0,0.0,9.0,1.0,0.0,7.11111111111111,2.0,3.2396694214876,2.0,0.0,2.0
InChI%3D1S%2FC10H10N2O2S%2Fc1-9-2-4-10%285-3-9%2915%2813%2C14%2912-7-6-11-8-12%2Fh2-8H%2C1H3,0.0,212.188997268677,1.0,56.034,2.0,0.125,2.5093,15.0,8.0,7.0,60.34,16.0,78.0,0.0,0.0,0.0,16.0,0.0,0.0,11.484375,3.0,4.47258979206049,4.0,0.0,2.39714625445898
InChI%3D1S%2FC18H15OP%2Fc19-20%2816-10-4-1-5-11-16%2C17-12-6-2-7-13-17%2918-14-8-3-9-15-18%2Fh1-15H,0.0,263.170994758606,0.0,85.8345,3.0,0.136363636363636,3.326,20.0,8.0,7.0,26.88,22.0,104.0,0.0,0.0,0.0,22.0,0.0,0.0,14.9173553719008,1.0,6.84,1.0,0.0,3.12244897959184
InChI%3D1S%2FC5H6ClN3%2Fc1-3-2-4%286%299-5%287%298-3%2Fh2H%2C1H3%2C%28H2%2C7%2C8%2C9%29,1.0,137.528997421265,1.0,34.1894,0.0,0.0,0.851,9.0,4.0,3.0,52.53,9.0,42.0,2.0,2.0,0.0,9.0,0.0,0.0,7.11111111111111,2.0,2.72222222222222,2.0,0.0,2.0
InChI%3D1S%2FC10H15NO2%2Fc12-8-6-11%287-9-13%2910-4-2-1-3-5-10%2Fh1-5%2C12-13H%2C6-9H2,0.0,166.114995956421,0.0,52.8266,5.0,0.384615384615385,0.4776,13.0,7.0,6.0,43.7,13.0,56.0,2.0,2.0,0.0,13.0,0.0,2.0,11.0769230769231,3.0,6.45333333333333,3.0,0.0,3.7037037037037
InChI%3D1S%2FC8H12O%2Fc1-2-8%289%296-4-3-5-7-8%2Fh1%2C9H%2C3-7H2,0.0,112.086997032166,0.0,36.8678,0.0,0.0,1.3148,9.0,5.0,4.0,20.23,9.0,42.0,1.0,1.0,0.0,9.0,0.0,1.0,7.11111111111111,1.0,2.72222222222222,1.0,3.0,1.70414201183432
InChI%3D1S%2FC11H16N2%2Fc1-2-4-11%285-3-1%2910-13-8-6-12-7-9-13%2Fh1-5%2C12H%2C6-10H2,0.0,160.134996414185,1.0,51.7405,2.0,0.142857142857143,1.7869,13.0,8.0,7.0,21.05,14.0,62.0,2.0,1.0,2.0,14.0,0.0,0.0,9.55102040816327,0.0,5.0242214532872,0.0,0.0,3.0
InChI%3D1S%2FC6H4N2O5%2Fc9-6-4%287%2810%2911%292-1-3-5%286%298%2812%2913%2Fh1-3%2C9H,0.0,180.074995994568,0.0,45.7508,2.0,0.153846153846154,2.255,13.0,6.0,5.0,111.87,13.0,62.0,1.0,1.0,0.0,13.0,1.0,0.0,11.0769230769231,5.0,4.48148148148148,1.0,0.0,2.47933884297521
InChI%3D1S%2FC7H8ClN%2Fc1-5-2-3-7%289%296%288%294-5%2Fh2-4H%2C9H2%2C1H3,1.0,133.536996841431,0.0,40.6014,0.0,0.0,2.2306,9.0,5.0,4.0,26.02,9.0,42.0,1.0,0.0,0.0,9.0,0.0,0.0,7.11111111111111,1.0,2.72222222222222,1.0,0.0,1.70414201183432
InChI%3D1S%2FC3H4O%2Fc1-2-3-4%2Fh2-3H%2C1H2,0.0,52.0319986343384,0.0,16.261,1.0,0.333333333333333,0.3713,4.0,3.0,2.0,17.07,3.0,10.0,0.0,0.0,0.0,3.0,0.0,0.0,4.0,1.0,3.0,1.0,0.0,4.0
InChI%3D1S%2FC6H5NO3%2Fc8-6-3-1-5%282-4-6%297%289%2910%2Fh1-4%2C8H,0.0,134.069996833801,0.0,36.9288,1.0,0.1,1.8236,10.0,6.0,5.0,66.05,10.0,46.0,1.0,1.0,0.0,10.0,1.0,0.0,8.1,3.0,3.40828402366864,1.0,0.0,2.28571428571429
InChI%3D1S%2FC15H10O2%2Fc16-13-10-15%2811-6-2-1-3-7-11%2917-14-9-5-4-8-12%2813%2914%2Fh1-10H,0.0,212.162994384766,1.0,67.92,1.0,0.0526315789473684,3.46,17.0,9.0,8.0,30.21,19.0,90.0,0.0,0.0,0.0,19.0,0.0,0.0,12.0554016620499,1.0,5.32544378698225,2.0,0.0,2.56
InChI%3D1S%2FC10H18O%2Fc1-9%282%298-4-6-10%283%2C11-9%297-5-8%2Fh8H%2C4-7H2%2C1-3H3,0.0,136.108996391296,1.0,45.527,0.0,0.0,2.7441,11.0,4.0,3.0,9.23,12.0,64.0,0.0,0.0,0.0,12.0,0.0,0.0,7.63888888888889,1.0,2.025,1.0,2.0,1.11111111111111
InChI%3D1S%2FC6H6ClN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,1.0,121.525997161865,0.0,35.8644,0.0,0.0,1.9222,8.0,5.0,4.0,26.02,8.0,36.0,1.0,0.0,0.0,8.0,0.0,0.0,6.125,1.0,2.52,1.0,0.0,1.8
InChI%3D1S%2F2C9H13N.H2O4S%2Fc2%2A1-8%2810%297-9-5-3-2-4-6-9%3B1-5%282%2C3%294%2Fh2%2A2-6%2C8H%2C7%2C10H2%2C1H3%3B%28H2%2C1%2C2%2C3%2C4%29,0.0,122.105997085571,0.0,44.6301,2.0,0.2,0.8595,10.0,6.0,5.0,27.64,10.0,44.0,1.0,0.0,0.0,10.0,0.0,0.0,8.1,0.0,4.0,0.0,0.0,3.11111111111111
InChI%3D1S%2FC7H12O%2Fc1-3-5-6-7%288%294-2%2Fh2%2C7-8H%2C3%2C5-6H2%2C1H3,0.0,100.0759973526,0.0,34.3648,3.0,0.428571428571429,1.1707,8.0,6.0,5.0,20.23,7.0,28.0,1.0,1.0,0.0,7.0,0.0,1.0,8.0,1.0,5.14285714285714,1.0,3.0,5.0
InChI%3D1S%2FC6H7N%2Fc1-6-4-2-3-5-7-6%2Fh2-5H%2C1H3,0.0,86.072998046875,1.0,28.974,0.0,0.0,1.39,7.0,4.0,3.0,12.89,7.0,30.0,0.0,0.0,0.0,7.0,0.0,0.0,5.14285714285714,1.0,2.34375,1.0,0.0,1.5
InChI%3D1S%2FC6H10O%2Fc1-3-5-6%287%294-2%2Fh3-4%2C6-7H%2C1-2%2C5H2,0.0,88.0649976730347,0.0,31.0178,3.0,0.5,1.1094,7.0,5.0,4.0,20.23,6.0,24.0,1.0,1.0,0.0,6.0,0.0,1.0,7.0,1.0,4.16666666666667,1.0,0.0,3.84
InChI%3D1S%2FC10H20O%2Fc1-7%282%299-5-4-8%283%296-10%289%2911%2Fh7-11H%2C4-6H2%2C1-3H3%2Ft8-%2C9%2B%2C10-%2Fm1%2Fs1,0.0,136.108996391296,0.0,47.3498,1.0,0.0909090909090909,2.4395,11.0,6.0,5.0,20.23,11.0,52.0,1.0,1.0,0.0,11.0,0.0,1.0,9.09090909090909,1.0,3.6,1.0,7.0,2.21453287197232
InChI%3D1S%2FC13H11NO2%2Fc15-12-9-5-4-8-11%2812%2913%2816%2914-10-6-2-1-3-7-10%2Fh1-9%2C15H%2C%28H%2C14%2C16%29,0.0,202.147994995117,0.0,63.3746,2.0,0.117647058823529,3.0285,16.0,9.0,8.0,52.82,17.0,78.0,2.0,2.0,0.0,17.0,1.0,1.0,12.4567474048443,3.0,6.07438016528926,3.0,0.0,3.49519890260631
InChI%3D1S%2FC12H9NO%2Fc14-12%2810-4-2-1-3-5-10%2911-6-8-13-9-7-11%2Fh1-9H,0.0,174.13799571991,1.0,54.1115,2.0,0.133333333333333,2.3126,14.0,8.0,7.0,29.96,15.0,68.0,0.0,0.0,0.0,15.0,0.0,0.0,10.5155555555556,2.0,5.18559556786704,2.0,0.0,2.75
InChI%3D1S%2FC7H7NO2%2Fc1-6-3-2-4-7%285-6%298%289%2910%2Fh2-5H%2C1H3,0.0,130.081996917725,0.0,40.001,1.0,0.1,2.4264,10.0,5.0,4.0,45.82,10.0,46.0,0.0,0.0,0.0,10.0,0.0,0.0,8.1,2.0,3.40828402366864,0.0,0.0,2.28571428571429
InChI%3D1S%2FC4H5N%2Fc1-2-4-5-3-1%2Fh1-5H,0.0,62.0509986877441,1.0,20.7927,0.0,0.0,1.0147,5.0,2.0,1.0,15.79,5.0,20.0,1.0,1.0,0.0,5.0,0.0,0.0,3.2,0.0,1.44,0.0,0.0,0.64
InChI%3D1S%2FC7H5ClN2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-3H%2C10H2,1.0,147.543996810913,0.0,40.5794,0.0,0.0,1.79388,10.0,5.0,4.0,49.81,10.0,46.0,1.0,0.0,0.0,10.0,0.0,0.0,8.1,2.0,3.40828402366864,2.0,0.0,1.99111111111111
InChI%3D1S%2FC6H12O2%2Fc1-5%287%298-6%282%2C3%294%2Fh1-4H3,0.0,104.063997268677,0.0,31.519,2.0,0.285714285714286,1.348,8.0,4.0,3.0,26.3,7.0,34.0,0.0,0.0,0.0,7.0,0.0,0.0,8.0,2.0,2.52,2.0,0.0,7.2
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InChI%3D1S%2FC13H20O%2Fc1-10-6-5-9-13%283%2C4%2912%2810%298-7-11%282%2914%2Fh7-8H%2C5-6%2C9H2%2C1-4H3,0.0,172.141995429993,0.0,60.153,2.0,0.142857142857143,3.6582,14.0,7.0,6.0,17.07,14.0,68.0,0.0,0.0,0.0,14.0,0.0,0.0,12.0714285714286,1.0,4.68,1.0,4.0,3.27272727272727
InChI%3D1S%2FC18H15O4P%2Fc19-23%2820-16-10-4-1-5-11-16%2C21-17-12-6-2-7-13-17%2922-18-14-8-3-9-15-18%2Fh1-15H,0.0,311.167993545532,0.0,88.8165,6.0,0.24,5.3315,23.0,10.0,9.0,54.57,25.0,116.0,0.0,0.0,0.0,25.0,0.0,0.0,17.8112,4.0,8.90909090909091,4.0,0.0,5.78566732412886
InChI%3D1S%2FC11H15NO%2Fc1-11%282%2C3%299-6-4-8%285-7-9%2910%2812%2913%2Fh4-7H%2C1-3H3%2C%28H2%2C12%2C13%29,0.0,162.126996040344,0.0,53.6599,2.0,0.153846153846154,2.083,13.0,7.0,6.0,43.09,13.0,64.0,1.0,0.0,0.0,13.0,0.0,0.0,11.0769230769231,2.0,4.02216066481994,2.0,0.0,3.0
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InChI%3D1S%2FC6H3Cl3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,3.0,194.423995018005,0.0,43.1368,0.0,0.0,3.3524,10.0,5.0,4.0,20.23,10.0,48.0,1.0,1.0,0.0,10.0,1.0,0.0,8.1,1.0,2.93877551020408,1.0,0.0,1.75
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InChI%3D1S%2FC4H12N.ClH%2Fc1-5%282%2C3%294%3B%2Fh1-4H3%3B1H%2Fq%2B1%3B%2Fp-1,0.0,62.0509986877441,0.0,23.9564,0.0,0.0,0.3224,5.0,2.0,1.0,0.0,4.0,20.0,0.0,0.0,1.0,4.0,0.0,0.0,5.0,0.0,1.0,0.0,0.0,0.0
InChI%3D1S%2FC9H13N%2Fc1-10%282%298-9-6-4-3-5-7-9%2Fh3-7H%2C8H2%2C1-2H3,0.0,122.105997085571,0.0,45.0907,2.0,0.2,0.3311,10.0,6.0,5.0,4.44,10.0,44.0,1.0,1.0,1.0,10.0,0.0,0.0,8.1,0.0,4.0,0.0,0.0,3.11111111111111
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InChI%3D1S%2FC12H10O2%2Fc13-10-6-8-12%289-7-10%2914-11-4-2-1-3-5-11%2Fh1-9%2C13H,0.0,176.129995346069,0.0,54.6228,2.0,0.133333333333333,3.1845,14.0,9.0,8.0,29.46,15.0,68.0,1.0,1.0,0.0,15.0,1.0,0.0,10.5155555555556,2.0,5.18559556786704,2.0,0.0,3.27272727272727
InChI%3D1S%2FC6H10O%2Fc7-6-4-2-1-3-5-6%2Fh1-5H2,0.0,88.0649976730347,0.0,28.092,0.0,0.0,1.5196,7.0,4.0,3.0,17.07,7.0,30.0,0.0,0.0,0.0,7.0,0.0,0.0,5.14285714285714,1.0,2.34375,1.0,3.0,1.5
InChI%3D1S%2FC6H13Br%2Fc1-2-3-4-5-6-7%2Fh2-6H2%2C1H3,1.0,151.969997406006,0.0,37.936,4.0,0.666666666666667,2.9616,7.0,6.0,5.0,0.0,6.0,22.0,0.0,0.0,0.0,6.0,0.0,0.0,7.0,0.0,6.0,0.0,4.0,6.0
InChI%3D1S%2FC7H14O%2Fc1-6%282%294-5-7%283%298%2Fh6H%2C4-5H2%2C1-3H3,0.0,100.0759973526,0.0,34.753,3.0,0.428571428571429,2.0116,8.0,5.0,4.0,17.07,7.0,30.0,0.0,0.0,0.0,7.0,0.0,0.0,8.0,1.0,3.9375,1.0,4.0,7.2
InChI%3D1S%2FC9H19NO%2Fc1-4-10%285-2%298-6-7-9%283%2911%2Fh4-8H2%2C1-3H3,0.0,138.104996681213,0.0,48.9607,6.0,0.6,0.2803,11.0,7.0,6.0,21.51,10.0,42.0,1.0,1.0,1.0,10.0,0.0,0.0,11.0,1.0,6.69421487603306,1.0,0.0,6.4
InChI%3D1S%2FC14H23N%2Fc1-2-3-4-5-6-7-8-13-9-11-14%2815%2912-10-13%2Fh9-12H%2C2-8%2C15H2%2C1H3,0.0,182.160995483398,0.0,67.9344,7.0,0.466666666666667,4.1718,15.0,12.0,11.0,26.02,15.0,64.0,1.0,0.0,0.0,15.0,0.0,0.0,13.0666666666667,1.0,8.18685121107266,1.0,6.0,6.22222222222222
InChI%3D1S%2F2C21H22N2O2.H2O4S%2Fc2%2A24-18-10-16-19-13-9-17-21%286-7-22%2817%2911-12%2813%295-8-25-16%2914-3-1-2-4-15%2814%2923%2818%2920%2819%2921%3B1-5%282%2C3%294%2Fh2%2A1-5%2C13%2C16-17%2C19-20H%2C6-11H2%3B%28H2%2C1%2C2%2C3%2C4%29%2Ft2%2A13-%2C16-%2C17-%2C19%3F%2C20-%2C21%2B%3B%2Fm00.%2Fs1,0.0,312.242992401123,5.0,88.9521,0.0,0.0,2.3096,25.0,8.0,7.0,33.98,31.0,164.0,1.0,1.0,1.0,31.0,0.0,0.0,14.9843912591051,3.0,4.88119953863898,3.0,0.0,1.6077508650519
InChI%3D1S%2FC10H12O4%2Fc1-12-8-5-10%2814-3%299%2813-2%294-7%288%296-11%2Fh4-6H%2C1-3H3,0.0,184.105995178223,0.0,51.4855,4.0,0.285714285714286,1.5249,14.0,7.0,6.0,44.76,14.0,64.0,0.0,0.0,0.0,14.0,0.0,0.0,12.0714285714286,4.0,5.77777777777778,4.0,0.0,2.75
InChI%3D1S%2FC10H18O%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh11H%2C2-7%2C10H2%2C1H3,0.0,136.108996391296,0.0,48.2378,5.0,0.5,2.3426,11.0,10.0,9.0,20.23,10.0,38.0,1.0,1.0,0.0,10.0,0.0,1.0,11.0,1.0,10.0,1.0,6.0,10.0
InChI%3D1S%2FC12H14O4%2Fc1-3-15-11%2813%299-7-5-6-8-10%289%2912%2814%2916-4-2%2Fh5-8H%2C3-4H2%2C1-2H3,0.0,208.127994537354,0.0,58.355,6.0,0.375,2.04,16.0,9.0,8.0,52.6,16.0,72.0,0.0,0.0,0.0,16.0,0.0,0.0,14.0625,4.0,7.35,4.0,0.0,4.0768
InChI%3D1S%2FC7H7F%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5H%2C1H3,1.0,103.074996948242,0.0,31.137,0.0,0.0,2.1341,8.0,4.0,3.0,0.0,8.0,36.0,0.0,0.0,0.0,8.0,0.0,0.0,6.125,0.0,2.52,0.0,0.0,1.48760330578512
InChI%3D1S%2FC6H5Cl2N%2Fc7-5-2-1-4%289%293-6%285%298%2Fh1-3H%2C9H2,2.0,156.978996276855,0.0,40.8744,0.0,0.0,2.5756,9.0,5.0,4.0,26.02,9.0,42.0,1.0,0.0,0.0,9.0,0.0,0.0,7.11111111111111,1.0,2.72222222222222,1.0,0.0,1.70414201183432
InChI%3D1S%2FC8H6ClNO3%2Fc1-5%2811%296-2-3-7%289%298%284-6%2910%2812%2913%2Fh2-4H%2C1H3,1.0,193.544995307922,0.0,50.2785,2.0,0.153846153846154,2.974,13.0,6.0,5.0,62.89,13.0,62.0,0.0,0.0,0.0,13.0,0.0,0.0,11.0769230769231,3.0,4.48148148148148,1.0,0.0,2.72108843537415
InChI%3D1S%2FC6H5N3O4%2Fc7-5-2-1-4%288%2810%2911%293-6%285%299%2812%2913%2Fh1-3H%2C7H2,0.0,178.082996368408,0.0,48.4984,2.0,0.153846153846154,2.1316,13.0,6.0,5.0,117.66,13.0,62.0,1.0,0.0,0.0,13.0,0.0,0.0,11.0769230769231,5.0,4.48148148148148,1.0,0.0,2.72108843537415
InChI%3D1S%2FC2H3F3O%2Fc3-2%284%2C5%291-6%2Fh6H%2C1H2,3.0,97.0149965286255,0.0,13.1408,1.0,0.2,0.541,6.0,3.0,2.0,20.23,5.0,24.0,1.0,1.0,0.0,5.0,0.0,1.0,6.0,1.0,1.63265306122449,1.0,0.0,5.33333333333333
InChI%3D1S%2FC6H10O3%2Fc1-3-6%288%299-4-5%282%297%2Fh3%2C5%2C7H%2C1%2C4H2%2C2H3,0.0,120.062996864319,0.0,32.8368,4.0,0.5,0.0963999999999998,9.0,6.0,5.0,46.53,8.0,34.0,1.0,1.0,0.0,8.0,0.0,1.0,9.0,3.0,4.83950617283951,3.0,0.0,5.87755102040816
InChI%3D1S%2FC9H21N%2Fc1-2-3-4-5-6-7-8-9-10%2Fh2-10H2%2C1H3,0.0,122.105997085571,0.0,47.8821,7.0,0.777777777777778,1.9789,10.0,9.0,8.0,27.64,9.0,34.0,1.0,0.0,0.0,9.0,0.0,0.0,10.0,0.0,9.0,0.0,7.0,9.14285714285714
InChI%3D1S%2FC7HF5O%2Fc8-3-2%281-13%294%289%296%2811%297%2812%295%283%2910%2Fh1H,5.0,195.065993309021,0.0,31.6195,1.0,0.0769230769230769,2.1946,13.0,6.0,5.0,17.07,13.0,64.0,0.0,0.0,0.0,13.0,0.0,0.0,11.0769230769231,1.0,4.02216066481994,1.0,0.0,1.77514792899408
InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh6H%2C2-5H2%2C1H3,0.0,88.0649976730347,0.0,30.206,4.0,0.666666666666667,1.7656,7.0,6.0,5.0,17.07,6.0,22.0,0.0,0.0,0.0,6.0,0.0,0.0,7.0,1.0,6.0,1.0,4.0,6.0
InChI%3D1S%2FC12H15NO3%2Fc1-12%282%297-8-5-4-6-9%2810%288%2916-12%2915-11%2814%2913-3%2Fh4-6H%2C7H2%2C1-3H3%2C%28H%2C13%2C14%29,0.0,206.135994911194,1.0,61.4688,2.0,0.117647058823529,2.3227,16.0,8.0,7.0,51.05,17.0,84.0,1.0,1.0,0.0,17.0,0.0,1.0,12.4567474048443,4.0,4.704,4.0,0.0,2.83111111111111
InChI%3D1S%2FC4H9NO%2Fc1-3-4%282%295-6%2Fh6H%2C3H2%2C1-2H3,0.0,78.0499982833862,0.0,25.1865,1.0,0.2,1.2465,6.0,4.0,3.0,32.59,5.0,20.0,1.0,1.0,0.0,5.0,0.0,0.0,6.0,2.0,3.2,2.0,1.0,3.0
InChI%3D1S%2FC8H10O2%2Fc1-9-7-3-5-8%2810-2%296-4-7%2Fh3-6H%2C1-2H3,0.0,128.085996627808,0.0,39.546,2.0,0.2,1.7038,10.0,7.0,6.0,18.46,10.0,44.0,0.0,0.0,0.0,10.0,0.0,0.0,8.1,2.0,4.0,2.0,0.0,2.28571428571429
InChI%3D1S%2FC2H4O%2Fc1-2-3%2Fh2H%2C1H3,0.0,40.0209989547729,0.0,11.738,0.0,0.0,0.2052,3.0,2.0,1.0,17.07,2.0,6.0,0.0,0.0,0.0,2.0,0.0,0.0,3.0,1.0,2.0,1.0,0.0,0.0
InChI%3D1S%2FC9H9N%2Fc1-7-6-10-9-5-3-2-4-8%287%299%2Fh2-6%2C10H%2C1H3,0.0,122.105997085571,1.0,43.0357,0.0,0.0,2.4763,10.0,5.0,4.0,15.79,11.0,52.0,1.0,1.0,0.0,11.0,0.0,0.0,6.69421487603306,0.0,2.56,0.0,0.0,1.12
InChI%3D1S%2FC3H9NO%2Fc1-5-3-2-4%2Fh2-4H2%2C1H3,0.0,66.0389986038208,0.0,21.7651,2.0,0.5,-1.1253,5.0,4.0,3.0,36.87,4.0,14.0,1.0,0.0,0.0,4.0,0.0,0.0,5.0,1.0,4.0,1.0,0.0,4.0
InChI%3D1S%2FC8H11N%2Fc1-9%282%298-6-4-3-5-7-8%2Fh3-7H%2C1-2H3,0.0,110.094997406006,0.0,40.769,1.0,0.111111111111111,1.7526,9.0,5.0,4.0,3.24,9.0,40.0,0.0,0.0,0.0,9.0,0.0,0.0,7.11111111111111,1.0,3.2396694214876,1.0,0.0,2.0
InChI%3D1S%2FC6H8O%2Fc1-5-3-4-6%282%297-5%2Fh3-4H%2C1-2H3,0.0,88.0649976730347,1.0,28.182,0.0,0.0,1.8964,7.0,4.0,3.0,13.14,7.0,32.0,0.0,0.0,0.0,7.0,0.0,0.0,5.14285714285714,0.0,1.85185185185185,1.0,0.0,1.18518518518519
InChI%3D1S%2FC12H10%2Fc1-3-9-4-2-6-11-8-7-10%285-1%2912%289%2911%2Fh1-6H%2C7-8H2,0.0,144.131996154785,0.0,51.356,0.0,0.0,2.9384,12.0,5.0,4.0,0.0,14.0,68.0,0.0,0.0,0.0,14.0,0.0,0.0,7.40816326530612,0.0,2.75,0.0,0.0,1.07015457788347
InChI%3D1S%2FC5H13N%2Fc1-5%282%2C3%294-6%2Fh4%2C6H2%2C1-3H3,0.0,74.0619983673096,0.0,29.3441,1.0,0.2,0.2744,6.0,3.0,2.0,27.64,5.0,24.0,1.0,0.0,0.0,5.0,0.0,0.0,6.0,0.0,1.63265306122449,0.0,3.0,5.33333333333333
InChI%3D1S%2FC8H10O%2Fc1-6-3-4-8%289%297%282%295-6%2Fh3-5%2C9H%2C1-2H3,0.0,112.086997032166,0.0,37.5808,0.0,0.0,2.009,9.0,5.0,4.0,20.23,9.0,42.0,1.0,1.0,0.0,9.0,1.0,0.0,7.11111111111111,1.0,2.72222222222222,1.0,0.0,1.70414201183432
InChI%3D1S%2FC3H6Cl2%2Fc1-3%285%292-4%2Fh3H%2C2H2%2C1H3,2.0,106.938997268677,0.0,26.035,1.0,0.25,1.8525,5.0,3.0,2.0,0.0,4.0,16.0,0.0,0.0,0.0,4.0,0.0,0.0,5.0,0.0,2.25,0.0,0.0,4.0
InChI%3D1S%2FC6H7N%2Fc1-6-2-4-7-5-3-6%2Fh2-5H%2C1H3,0.0,86.072998046875,1.0,28.974,0.0,0.0,1.39,7.0,4.0,3.0,12.89,7.0,30.0,0.0,0.0,0.0,7.0,0.0,0.0,5.14285714285714,1.0,2.34375,1.0,0.0,1.5
InChI%3D1S%2FC4H6O2%2Fc5-3-1-2-4-6%2Fh5-6H%2C3-4H2,0.0,80.0419979095459,0.0,21.9476,0.0,0.0,-1.0256,6.0,5.0,4.0,40.46,5.0,18.0,2.0,2.0,0.0,5.0,0.0,2.0,6.0,2.0,5.0,2.0,0.0,5.33333333333333
InChI%3D1S%2FC5H10O%2Fc1-3-4-5%282%296%2Fh3-4H2%2C1-2H3,0.0,76.0539979934692,0.0,25.589,2.0,0.4,1.3755,6.0,4.0,3.0,17.07,5.0,20.0,0.0,0.0,0.0,5.0,0.0,0.0,6.0,1.0,3.2,1.0,2.0,5.33333333333333
InChI%3D1S%2FC9H11NO%2Fc1-10%282%299-5-3-8%287-11%294-6-9%2Fh3-7H%2C1-2H3,0.0,138.104996681213,0.0,46.1565,2.0,0.181818181818182,1.5651,11.0,7.0,6.0,20.31,11.0,50.0,0.0,0.0,0.0,11.0,0.0,0.0,9.09090909090909,2.0,4.13265306122449,2.0,0.0,2.5
InChI%3D1S%2FC3H2F6O%2Fc4-2%285%2C6%291%2810%293%287%2C8%299%2Fh1%2C10H,6.0,166.019993782043,0.0,18.1168,2.0,0.222222222222222,1.4719,10.0,4.0,3.0,20.23,9.0,48.0,1.0,1.0,0.0,9.0,0.0,1.0,10.0,1.0,2.56,1.0,0.0,3.11111111111111
InChI%3D1S%2FC8H6Br4%2Fc9-7%2810%295-3-1-2-4-6%285%298%2811%2912%2Fh1-4%2C7-8H,4.0,415.703994750977,0.0,67.632,2.0,0.166666666666667,5.2634,12.0,5.0,4.0,0.0,12.0,56.0,0.0,0.0,0.0,12.0,0.0,0.0,10.0833333333333,0.0,4.296875,0.0,0.0,2.49307479224377
InChI%3D1S%2FC10H10O2%2Fc1-8%2811%297-10%2812%299-5-3-2-4-6-9%2Fh2-6H%2C7H2%2C1H3,0.0,152.107995986938,0.0,46.0705,3.0,0.25,1.8484,12.0,7.0,6.0,34.14,12.0,54.0,0.0,0.0,0.0,12.0,0.0,0.0,10.0833333333333,2.0,4.88888888888889,2.0,0.0,3.515625
InChI%3D1S%2FC6H6ClN%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H%2C8H2,1.0,121.525997161865,0.0,35.8644,0.0,0.0,1.9222,8.0,4.0,3.0,26.02,8.0,36.0,1.0,0.0,0.0,8.0,0.0,0.0,6.125,1.0,2.52,1.0,0.0,1.48760330578512
InChI%3D1S%2FC6H2Cl4O%2Fc7-2-1-3%2811%295%289%296%2810%294%282%298%2Fh1%2C11H,4.0,229.876994132996,0.0,48.1468,0.0,0.0,4.0058,11.0,5.0,4.0,20.23,11.0,54.0,1.0,1.0,0.0,11.0,1.0,0.0,9.09090909090909,1.0,3.1640625,1.0,0.0,1.6
InChI%3D1S%2FC6H12N2%2Fc1-2-8-5-3-7%281%294-6-8%2Fh1-6H2,0.0,100.079998016357,2.0,30.3658,0.0,0.0,-0.0782,8.0,3.0,2.0,8.88,9.0,42.0,2.0,2.0,2.0,9.0,0.0,0.0,4.83950617283951,0.0,1.75,0.0,0.0,0.8
InChI%3D1S%2FC6HCl3N2O4%2Fc7-2-1-3%288%296%2811%2814%2915%294%289%295%282%2910%2812%2913%2Fh1H,3.0,270.434993743896,0.0,59.116,2.0,0.133333333333333,4.5096,15.0,6.0,5.0,91.64,15.0,74.0,0.0,0.0,0.0,15.0,0.0,0.0,13.0666666666667,4.0,4.88842975206612,0.0,0.0,2.57142857142857
InChI%3D1S%2FC14H14OS%2Fc15-16%2811-13-7-3-1-4-8-13%2912-14-9-5-2-6-10-14%2Fh1-10H%2C11-12H2,0.0,216.219996452332,0.0,68.5695,4.0,0.235294117647059,4.0012,16.0,10.0,9.0,36.28,17.0,76.0,0.0,0.0,0.0,17.0,0.0,0.0,12.4567474048443,1.0,6.66666666666667,1.0,0.0,4.42361111111111
InChI%3D1S%2FC8H6Cl2O2%2Fc1-12-8%2811%296-4-5%289%292-3-7%286%2910%2Fh2-4H%2C1H3,2.0,198.991994857788,0.0,47.8015,2.0,0.166666666666667,2.78,12.0,6.0,5.0,26.3,12.0,56.0,0.0,0.0,0.0,12.0,0.0,0.0,10.0833333333333,2.0,4.296875,2.0,0.0,2.49307479224377
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%2C1-3H3,1.0,249.611993789673,0.0,75.28,7.0,0.388888888888889,2.9871,18.0,7.0,6.0,29.54,18.0,82.0,0.0,0.0,0.0,18.0,0.0,0.0,16.0555555555556,3.0,8.22684310018904,3.0,0.0,3.99583766909469
InChI%3D1S%2FC9H14N.CH4O4S%2Fc1-10%282%2C3%299-7-5-4-6-8-9%3B1-5-6%282%2C3%294%2Fh4-8H%2C1-3H3%3B1H3%2C%28H%2C2%2C3%2C4%29%2Fq%2B1%3B%2Fp-1,0.0,122.105997085571,0.0,46.008,1.0,0.1,1.8833,10.0,5.0,4.0,0.0,10.0,48.0,0.0,0.0,1.0,10.0,0.0,0.0,8.1,0.0,2.93877551020408,0.0,0.0,2.28571428571429
InChI%3D1S%2FC6H3I3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,3.0,468.776995658875,0.0,66.2578,0.0,0.0,3.206,10.0,5.0,4.0,20.23,10.0,48.0,1.0,1.0,0.0,10.0,1.0,0.0,8.1,1.0,2.93877551020408,1.0,0.0,1.75
InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2,2.0,94.9279975891113,0.0,21.44,1.0,0.333333333333333,1.464,4.0,3.0,2.0,0.0,3.0,10.0,0.0,0.0,0.0,3.0,0.0,0.0,4.0,0.0,3.0,0.0,0.0,4.0
InChI%3D1S%2FC9H10O2%2Fc1-2-11-9-5-3-8%287-10%294-6-9%2Fh3-7H%2C2H2%2C1H3,0.0,140.096996307373,0.0,42.9985,3.0,0.272727272727273,1.8978,11.0,8.0,7.0,26.3,11.0,48.0,0.0,0.0,0.0,11.0,0.0,0.0,9.09090909090909,2.0,4.79289940828402,2.0,0.0,2.84444444444444
InChI%3D1S%2FC12H10OS%2Fc13-14%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H,0.0,192.197997093201,0.0,57.6935,2.0,0.133333333333333,3.719,14.0,8.0,7.0,36.28,15.0,68.0,0.0,0.0,0.0,15.0,0.0,0.0,10.5155555555556,1.0,5.18559556786704,1.0,0.0,2.75
InChI%3D1S%2FC5H12O%2Fc1-2-3-4-5-6%2Fh6H%2C2-5H2%2C1H3,0.0,76.0539979934692,0.0,26.6108,3.0,0.6,1.1689,6.0,5.0,4.0,20.23,5.0,18.0,1.0,1.0,0.0,5.0,0.0,1.0,6.0,1.0,5.0,1.0,3.0,5.33333333333333
InChI%3D1S%2FC6H6FN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,1.0,105.070997238159,0.0,30.8124,0.0,0.0,1.4079,8.0,5.0,4.0,26.02,8.0,36.0,1.0,0.0,0.0,8.0,0.0,0.0,6.125,1.0,2.52,1.0,0.0,1.8
InChI%3D1S%2FC5H8O3%2Fc1-2-5%287%298-4-3-6%2Fh2%2C6H%2C1%2C3-4H2,0.0,108.051997184753,0.0,28.2418,4.0,0.571428571428571,-0.2921,8.0,6.0,5.0,46.53,7.0,28.0,1.0,1.0,0.0,7.0,0.0,1.0,8.0,3.0,5.14285714285714,3.0,0.0,5.0
InChI%3D1S%2FC6H2F5N%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H2,5.0,181.062994003296,0.0,30.6444,0.0,0.0,1.9643,12.0,5.0,4.0,26.02,12.0,60.0,1.0,0.0,0.0,12.0,0.0,0.0,10.0833333333333,1.0,3.39506172839506,1.0,0.0,1.5625
InChI%3D1S%2FC12H18N2O3.Na%2Fc1-4-6-8%283%2912%287-5-2%299%2815%2913-11%2817%2914-10%2812%2916%3B%2Fh5%2C8H%2C2%2C4%2C6-7H2%2C1%2C3H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29%3B%2Fq%3B%2B1%2Fp-1,0.0,220.142994880676,1.0,59.2827,5.0,0.294117647058824,1.7754,17.0,8.0,7.0,85.08,17.0,82.0,1.0,2.0,0.0,17.0,0.0,1.0,15.0588235294118,4.0,6.25,5.0,5.0,2.87970615243343
InChI%3D1S%2FC13H10Cl2O2%2Fc14-10-1-3-12%2816%298%286-10%295-9-7-11%2815%292-4-13%289%2917%2Fh1-4%2C6-7%2C16-17H%2C5H2,2.0,259.046993255615,0.0,69.0396,2.0,0.111111111111111,3.9954,17.0,8.0,7.0,40.46,18.0,86.0,2.0,2.0,0.0,18.0,2.0,0.0,13.4320987654321,2.0,5.76,2.0,0.0,3.48444444444444
InChI%3D1S%2FC9H18O%2Fc1-3-5-7-9%2810%298-6-4-2%2Fh3-8H2%2C1-2H3,0.0,124.097996711731,0.0,44.057,6.0,0.666666666666667,2.9359,10.0,8.0,7.0,17.07,9.0,36.0,0.0,0.0,0.0,9.0,0.0,0.0,10.0,1.0,7.11111111111111,1.0,6.0,7.0
InChI%3D1S%2FC7H11ClO4%2Fc1-3-11-6%289%295%288%297%2810%2912-4-2%2Fh5H%2C3-4H2%2C1-2H3,1.0,183.525995254517,0.0,42.907,6.0,0.545454545454545,0.72,12.0,8.0,7.0,52.6,11.0,48.0,0.0,0.0,0.0,11.0,0.0,0.0,12.0,4.0,6.50887573964497,4.0,0.0,4.59183673469388
InChI%3D1S%2F2C4H7Cl3O.H2O%2Fc2%2A1-3%282%2C8%294%285%2C6%297%3B%2Fh2%2A8H%2C1-2H3%3B1H2,3.0,170.401995658875,0.0,36.5878,1.0,0.142857142857143,2.1275,8.0,3.0,2.0,20.23,7.0,38.0,1.0,1.0,0.0,7.0,0.0,1.0,8.0,1.0,1.75,1.0,0.0,2.22222222222222
InChI%3D1S%2FC12H8ClNO3%2Fc13-9-5-7-10%288-6-9%2917-12-4-2-1-3-11%2812%2914%2815%2916%2Fh1-8H,1.0,241.588994026184,0.0,66.79,3.0,0.166666666666667,4.5637,17.0,9.0,8.0,55.05,18.0,84.0,0.0,0.0,0.0,18.0,0.0,0.0,13.4320987654321,3.0,6.25,1.0,0.0,3.72889417360285
InChI%3D1S%2FC6H12O%2Fc1-3-5-6%287%294-2%2Fh4%2C6-7H%2C2-3%2C5H2%2C1H3,0.0,88.0649976730347,0.0,31.1118,3.0,0.5,1.3334,7.0,5.0,4.0,20.23,6.0,24.0,1.0,1.0,0.0,6.0,0.0,1.0,7.0,1.0,4.16666666666667,1.0,2.0,3.84
InChI%3D1S%2FC5Cl5N%2Fc6-1-2%287%294%289%2911-5%2810%293%281%298,5.0,251.326993942261,1.0,49.287,0.0,0.0,4.3486,11.0,5.0,4.0,12.89,11.0,54.0,0.0,0.0,0.0,11.0,0.0,0.0,9.09090909090909,1.0,3.1640625,1.0,0.0,1.6
InChI%3D1S%2FC12H27N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13%2Fh2-13H2%2C1H3,0.0,158.138996124268,0.0,61.7331,10.0,0.833333333333333,3.1492,13.0,12.0,11.0,27.64,12.0,46.0,1.0,0.0,0.0,12.0,0.0,0.0,13.0,0.0,12.0,0.0,10.0,12.0
InChI%3D1S%2FC7H6Cl2O2%2Fc1-11-7-3-5%289%294%288%292-6%287%2910%2Fh2-3%2C10H%2C1H3,2.0,186.980995178223,0.0,44.6788,1.0,0.0909090909090909,2.7076,11.0,6.0,5.0,29.46,11.0,52.0,1.0,1.0,0.0,11.0,1.0,0.0,9.09090909090909,2.0,3.6,2.0,0.0,1.97530864197531
InChI%3D1S%2FC8H14O3%2Fc1-4-10-5-6-11-8%289%297%282%293%2Fh2%2C4-6H2%2C1%2C3H3,0.0,144.08499622345,0.0,42.266,6.0,0.6,1.1422,11.0,8.0,7.0,35.53,10.0,42.0,0.0,0.0,0.0,10.0,0.0,0.0,11.0,3.0,6.69421487603306,3.0,0.0,6.4
InChI%3D1S%2FC10H15BrO%2Fc1-9%282%296-4-5-10%289%2C3%298%2812%297%286%2911%2Fh6-7H%2C4-5H2%2C1-3H3,1.0,216.01299571991,0.0,52.334,0.0,0.0,2.7751,12.0,4.0,3.0,17.07,13.0,72.0,0.0,0.0,0.0,13.0,0.0,0.0,8.59171597633136,1.0,2.07939508506616,1.0,6.0,0.73469387755102
InChI%3D1S%2FC6H11BrO%2Fc7-5-6-3-1-2-4-8-6%2Fh6H%2C1-5H2,1.0,167.968997001648,1.0,37.385,1.0,0.125,1.9504,8.0,5.0,4.0,9.23,8.0,34.0,0.0,0.0,0.0,8.0,0.0,0.0,6.125,1.0,3.11111111111111,1.0,1.0,1.8
InChI%3D1S%2FC2H8N2%2Fc1-4%282%293%2Fh3H2%2C1-2H3,0.0,52.0359992980957,0.0,17.8744,0.0,0.0,-0.5783,4.0,2.0,1.0,29.26,3.0,12.0,1.0,0.0,0.0,3.0,0.0,0.0,4.0,2.0,1.33333333333333,2.0,0.0,0.0
InChI%3D1S%2FC10H10O%2Fc1-3-10%282%2C11%299-7-5-4-6-8-9%2Fh1%2C4-8%2C11H%2C2H3,0.0,136.108996391296,0.0,44.8458,1.0,0.0909090909090909,1.5273,11.0,6.0,5.0,20.23,11.0,52.0,1.0,1.0,0.0,11.0,0.0,1.0,9.09090909090909,1.0,3.6,1.0,0.0,2.21453287197232
InChI%3D1S%2FC12H22O4%2Fc1-3-5-9-15-11%2813%297-8-12%2814%2916-10-6-4-2%2Fh3-10H2%2C1-2H3,0.0,208.127994537354,0.0,60.968,11.0,0.733333333333333,2.4532,16.0,13.0,12.0,52.6,15.0,62.0,0.0,0.0,0.0,15.0,0.0,0.0,16.0,4.0,11.484375,4.0,4.0,11.3244444444444
InChI%3D1S%2FC13H10O2%2Fc14-10-11-6-8-13%289-7-11%2915-12-4-2-1-3-5-12%2Fh1-10H,0.0,188.140995025635,0.0,58.3455,3.0,0.1875,3.2914,15.0,10.0,9.0,26.3,16.0,72.0,0.0,0.0,0.0,16.0,0.0,0.0,11.484375,2.0,5.915,2.0,0.0,3.5
InChI%3D1S%2FC9H18O2%2Fc1-2-3-4-5-6-7-8-9%2810%2911%2Fh2-8H2%2C1H3%2C%28H%2C10%2C11%29,0.0,140.096996307373,0.0,43.6865,7.0,0.7,1.4869,11.0,9.0,8.0,40.13,10.0,40.0,0.0,1.0,0.0,10.0,0.0,0.0,11.0,1.0,8.1,2.0,7.0,10.0
InChI%3D1S%2FC5H12N2%2Fc1-5-4-6-2-3-7-5%2Fh5-7H%2C2-4H2%2C1H3,0.0,88.068998336792,1.0,27.1522,0.0,0.0,0.6537,7.0,4.0,3.0,33.22,7.0,30.0,2.0,0.0,2.0,7.0,0.0,0.0,5.14285714285714,0.0,2.34375,0.0,0.0,1.5
InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C8H%2C1H3,0.0,116.074996948242,0.0,34.6588,1.0,0.111111111111111,1.4008,9.0,6.0,5.0,29.46,9.0,40.0,1.0,1.0,0.0,9.0,1.0,0.0,7.11111111111111,2.0,3.2396694214876,2.0,0.0,2.0
InChI%3D1S%2FC13H11NO%2Fc15-11-14%2812-7-3-1-4-8-12%2913-9-5-2-6-10-13%2Fh1-11H,0.0,186.148995399475,0.0,61.087,3.0,0.1875,2.9811,15.0,8.0,7.0,20.31,16.0,72.0,0.0,0.0,0.0,16.0,0.0,0.0,11.484375,2.0,5.915,1.0,0.0,2.98224852071006
InChI%3D1S%2FC6H13NO2%2Fc8-4-1-7-2-5-9-6-3-7%2Fh8H%2C1-6H2,0.0,118.070997238159,1.0,33.0877,2.0,0.222222222222222,-0.537,9.0,6.0,5.0,33.9,9.0,38.0,2.0,2.0,1.0,9.0,0.0,1.0,7.11111111111111,2.0,3.92,2.0,0.0,2.3801652892562
InChI%3D1S%2FC4H11N%2Fc1-3-5-4-2%2Fh5H%2C3-4H2%2C1-2H3,0.0,62.0509986877441,0.0,25.1414,2.0,0.5,-0.4104,5.0,4.0,3.0,16.61,4.0,14.0,1.0,0.0,1.0,4.0,0.0,0.0,5.0,0.0,4.0,0.0,0.0,4.0
InChI%3D1S%2FC3H7ClO%2Fc1-3%285%292-4%2Fh3%2C5H%2C2H2%2C1H3,1.0,87.4849977493286,0.0,22.4008,1.0,0.25,0.606,5.0,3.0,2.0,20.23,4.0,16.0,1.0,1.0,0.0,4.0,0.0,1.0,5.0,1.0,2.25,1.0,0.0,4.0
InChI%3D1S%2FC11H13NO%2Fc1-12%282%2911-7-5-10%286-8-11%294-3-9-13%2Fh3-9H%2C1-2H3%2Fb4-3-,0.0,162.126996040344,0.0,55.867,3.0,0.230769230769231,1.9647,13.0,9.0,8.0,20.31,13.0,58.0,0.0,0.0,0.0,13.0,0.0,0.0,11.0769230769231,2.0,5.671875,2.0,0.0,3.7037037037037
InChI%3D1S%2FC9H17N%2Fc1-2-3-4-5-6-7-8-9-10%2Fh2-8H2%2C1H3,0.0,122.105997085571,0.0,43.606,6.0,0.666666666666667,3.26058,10.0,9.0,8.0,23.79,9.0,34.0,0.0,0.0,0.0,9.0,0.0,0.0,10.0,1.0,9.0,1.0,7.0,9.14285714285714
InChI%3D1S%2FC6H10Cl2%2Fc7-5-3-1-2-4-6%285%298%2Fh5-6H%2C1-4H2%2Ft5-%2C6%3F%2Fm1%2Fs1,2.0,142.971996307373,0.0,37.75,0.0,0.0,2.7752,8.0,4.0,3.0,0.0,8.0,36.0,0.0,0.0,0.0,8.0,0.0,0.0,6.125,0.0,2.52,0.0,2.0,1.48760330578512
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,0.0,142.09299659729,0.0,43.5046,1.0,0.0909090909090909,2.0001,11.0,7.0,6.0,52.82,11.0,50.0,2.0,2.0,0.0,11.0,1.0,1.0,9.09090909090909,3.0,4.13265306122449,3.0,0.0,3.26530612244898
InChI%3D1S%2FC5H10Cl2%2Fc6-4-2-1-3-5-7%2Fh1-5H2,2.0,130.960996627808,0.0,35.291,4.0,0.666666666666667,2.6343,7.0,6.0,5.0,0.0,6.0,22.0,0.0,0.0,0.0,6.0,0.0,0.0,7.0,0.0,6.0,0.0,1.0,6.0
InChI%3D1S%2FC4H6Cl2%2Fc1-2-4%286%293-5%2Fh2%2C4H%2C1%2C3H2,2.0,118.949996948242,0.0,30.558,2.0,0.4,2.0186,6.0,4.0,3.0,0.0,5.0,20.0,0.0,0.0,0.0,5.0,0.0,0.0,6.0,0.0,3.2,0.0,0.0,3.0
InChI%3D1S%2FC5H4ClNO%2Fc6-4-1-2-5%288%297-3-4%2Fh1-3H%2C%28H%2C7%2C8%29,1.0,125.513997077942,1.0,30.9118,0.0,0.0,1.4406,8.0,5.0,4.0,33.12,8.0,36.0,1.0,1.0,0.0,8.0,1.0,0.0,6.125,2.0,2.52,2.0,0.0,1.8
InChI%3D1S%2FC4H6O%2Fc1-2-3-4-5%2Fh1%2C5H%2C3-4H2,0.0,64.0429983139038,0.0,20.5358,1.0,0.25,0.00199999999999995,5.0,4.0,3.0,20.23,4.0,14.0,1.0,1.0,0.0,4.0,0.0,1.0,5.0,1.0,4.0,1.0,0.0,4.0
InChI%3D1S%2FC6H6ClN%2Fc1-5-3-2-4-6%287%298-5%2Fh2-4H%2C1H3,1.0,121.525997161865,1.0,33.984,0.0,0.0,2.0434,8.0,4.0,3.0,12.89,8.0,36.0,0.0,0.0,0.0,8.0,0.0,0.0,6.125,1.0,2.52,1.0,0.0,1.8
InChI%3D1S%2FC9H7N%2Fc1-2-6-9-8%284-1%295-3-7-10-9%2Fh1-7H,0.0,122.105997085571,1.0,41.743,0.0,0.0,2.2348,10.0,5.0,4.0,12.89,11.0,50.0,0.0,0.0,0.0,11.0,0.0,0.0,6.69421487603306,1.0,2.93877551020408,1.0,0.0,1.38271604938272
InChI%3D1S%2FC10H14O%2Fc1-10%282%2C3%298-4-6-9%2811%297-5-8%2Fh4-7%2C11H%2C1-3H3,0.0,136.108996391296,0.0,46.8068,1.0,0.0909090909090909,2.6897,11.0,6.0,5.0,20.23,11.0,54.0,1.0,1.0,0.0,11.0,1.0,0.0,9.09090909090909,1.0,3.1640625,1.0,0.0,2.5
InChI%3D1S%2FC6H12O3%2Fc1-3-8-4-5-9-6%282%297%2Fh3-5H2%2C1-2H3,0.0,120.062996864319,0.0,33.126,5.0,0.625,0.586,9.0,7.0,6.0,35.53,8.0,32.0,0.0,0.0,0.0,8.0,0.0,0.0,9.0,3.0,6.125,3.0,0.0,8.0
InChI%3D1S%2FC7H8N2O%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4H%2C8H2%2C%28H2%2C9%2C10%29,0.0,128.089997291565,0.0,40.3119,1.0,0.1,1.1522,10.0,5.0,4.0,70.1,10.0,46.0,3.0,2.0,0.0,10.0,0.0,1.0,8.1,3.0,3.40828402366864,3.0,0.0,1.99111111111111
InChI%3D1S%2FC11H17O3P%2Fc1-3-13-15%2812%2C14-4-2%2910-11-8-6-5-7-9-11%2Fh5-9H%2C3-4%2C10H2%2C1-2H3,0.0,211.091996192932,0.0,61.0045,6.0,0.4,3.4527,15.0,8.0,7.0,45.34,15.0,68.0,0.0,0.0,0.0,15.0,0.0,0.0,13.0666666666667,3.0,6.55401662049861,3.0,0.0,4.57142857142857
InChI%3D1S%2FC6H14O%2Fc1-5%282%297-6%283%294%2Fh5-6H%2C1-4H3,0.0,88.0649976730347,0.0,31.357,2.0,0.333333333333333,1.8198,7.0,4.0,3.0,9.23,6.0,26.0,0.0,0.0,0.0,6.0,0.0,0.0,7.0,1.0,3.06122448979592,1.0,0.0,6.0
InChI%3D1S%2FC7H7NO2.ClH%2Fc9-7%2810%296-8-4-2-1-3-5-8%3B%2Fh1-5H%2C6H2%3B1H,0.0,130.081996917725,1.0,34.4645,2.0,0.2,-1.276,10.0,6.0,5.0,44.01,10.0,44.0,0.0,1.0,0.0,10.0,0.0,0.0,8.1,1.0,4.0,2.0,0.0,3.11111111111111
InChI%3D1S%2FC3H6Cl2%2Fc4-2-1-3-5%2Fh1-3H2,2.0,106.938997268677,0.0,26.057,2.0,0.5,1.8541,5.0,4.0,3.0,0.0,4.0,14.0,0.0,0.0,0.0,4.0,0.0,0.0,5.0,0.0,4.0,0.0,0.0,4.0
InChI%3D1S%2FC6H5NO3%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4%2C8H,0.0,134.069996833801,0.0,36.9288,1.0,0.1,1.8236,10.0,5.0,4.0,66.05,10.0,46.0,1.0,1.0,0.0,10.0,1.0,0.0,8.1,3.0,3.40828402366864,1.0,0.0,1.99111111111111
InChI%3D1S%2FC7H14O%2Fc1-3-4-5-6-7%282%298%2Fh3-6H2%2C1-2H3,0.0,100.0759973526,0.0,34.823,4.0,0.571428571428571,2.1557,8.0,6.0,5.0,17.07,7.0,28.0,0.0,0.0,0.0,7.0,0.0,0.0,8.0,1.0,5.14285714285714,1.0,4.0,7.2
InChI%3D1S%2FC6H4Cl2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H,2.0,142.971996307373,0.0,36.462,0.0,0.0,2.9934,8.0,4.0,3.0,0.0,8.0,36.0,0.0,0.0,0.0,8.0,0.0,0.0,6.125,0.0,2.52,0.0,0.0,1.48760330578512
InChI%3D1S%2FC4H10O%2Fc1-2-3-4-5%2Fh5H%2C2-4H2%2C1H3,0.0,64.0429983139038,0.0,21.9938,2.0,0.5,0.7788,5.0,4.0,3.0,20.23,4.0,14.0,1.0,1.0,0.0,4.0,0.0,1.0,5.0,1.0,4.0,1.0,2.0,4.0
InChI%3D1S%2FC7H6O3%2Fc8-4-5-1-2-6%289%293-7%285%2910%2Fh1-4%2C9-10H,0.0,132.073996543884,0.0,35.1591,1.0,0.1,0.9103,10.0,6.0,5.0,57.53,10.0,46.0,2.0,2.0,0.0,10.0,2.0,0.0,8.1,3.0,3.40828402366864,3.0,0.0,1.99111111111111
InChI%3D1S%2FC5H10O%2Fc1-3-5%286%294-2%2Fh3-4H2%2C1-2H3,0.0,76.0539979934692,0.0,25.589,2.0,0.4,1.3755,6.0,4.0,3.0,17.07,5.0,20.0,0.0,0.0,0.0,5.0,0.0,0.0,6.0,1.0,3.2,1.0,2.0,3.0
InChI%3D1S%2FC9H16ClNO2%2Fc10-6-7-13-9%2812%2911-8-4-2-1-3-5-8%2Fh8H%2C1-7H2%2C%28H%2C11%2C12%29,1.0,189.556995391846,0.0,53.6088,4.0,0.307692307692308,2.4885,13.0,9.0,8.0,41.82,13.0,56.0,1.0,1.0,0.0,13.0,0.0,1.0,11.0769230769231,3.0,6.45333333333333,3.0,3.0,4.6875
InChI%3D1S%2FC7H5FO%2Fc8-7-4-2-1-3-6%287%295-9%2Fh1-5H,1.0,119.073996543884,0.0,31.7875,1.0,0.111111111111111,1.6382,9.0,5.0,4.0,17.07,9.0,40.0,0.0,0.0,0.0,9.0,0.0,0.0,7.11111111111111,1.0,3.2396694214876,1.0,0.0,1.70414201183432
InChI%3D1S%2FC16H27N%2Fc1-2-3-4-5-6-7-8-9-10-15-11-13-16%2817%2914-12-15%2Fh11-14H%2C2-10%2C17H2%2C1H3,0.0,206.182994842529,0.0,77.1684,9.0,0.529411764705882,4.952,17.0,14.0,13.0,26.02,17.0,72.0,1.0,0.0,0.0,17.0,0.0,0.0,15.0588235294118,1.0,9.97229916897507,1.0,8.0,7.84
InChI%3D1S%2FC7H12O2%2Fc1-5%282%297%288%299-6%283%294%2Fh6H%2C1H2%2C2-4H3,0.0,116.074996948242,0.0,36.042,3.0,0.375,1.5141,9.0,5.0,4.0,26.3,8.0,36.0,0.0,0.0,0.0,8.0,0.0,0.0,9.0,2.0,3.92,2.0,0.0,4.5
InChI%3D1S%2FC8H10%2Fc1-7-5-3-4-6-8%287%292%2Fh3-6H%2C1-2H3,0.0,96.0879974365234,0.0,35.916,0.0,0.0,2.3034,8.0,4.0,3.0,0.0,8.0,36.0,0.0,0.0,0.0,8.0,0.0,0.0,6.125,0.0,2.52,0.0,0.0,1.48760330578512
InChI%3D1S%2FC9H11N%2Fc1-2-8-10-9-6-4-3-5-7-9%2Fh2-7%2C10H%2C1%2C8H2,0.0,122.105997085571,0.0,45.1287,3.0,0.3,2.2845,10.0,7.0,6.0,12.03,10.0,42.0,1.0,1.0,0.0,10.0,0.0,0.0,8.1,1.0,4.7603305785124,1.0,0.0,3.11111111111111
InChI%3D1S%2FC11H15NO3%2Fc1-8%282%2914-9-6-4-5-7-10%289%2915-11%2813%2912-3%2Fh4-8H%2C1-3H3%2C%28H%2C12%2C13%29,0.0,194.124995231628,0.0,58.8218,4.0,0.266666666666667,2.3964,15.0,8.0,7.0,51.05,15.0,68.0,1.0,1.0,0.0,15.0,0.0,1.0,13.0666666666667,4.0,6.55401662049861,4.0,0.0,4.57142857142857
InChI%3D1S%2FC9H18O%2Fc1-3-4-5-6-7-8-9%282%2910%2Fh3-8H2%2C1-2H3,0.0,124.097996711731,0.0,44.057,6.0,0.666666666666667,2.9359,10.0,8.0,7.0,17.07,9.0,36.0,0.0,0.0,0.0,9.0,0.0,0.0,10.0,1.0,7.11111111111111,1.0,6.0,9.14285714285714
InChI%3D1S%2FC7H8FN%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C9H%2C1H3,1.0,117.081996917725,0.0,35.9467,1.0,0.111111111111111,1.8674,9.0,6.0,5.0,12.03,9.0,40.0,1.0,1.0,0.0,9.0,0.0,0.0,7.11111111111111,1.0,3.2396694214876,1.0,0.0,2.0
InChI%3D1S%2FC8H18O%2Fc1-2-3-4-5-6-7-8-9%2Fh9H%2C2-8H2%2C1H3,0.0,112.086997032166,0.0,40.4618,6.0,0.75,2.3392,9.0,8.0,7.0,20.23,8.0,30.0,1.0,1.0,0.0,8.0,0.0,1.0,9.0,1.0,8.0,1.0,6.0,8.0
InChI%3D1S%2FC8H4F3N%2Fc9-8%2810%2C11%297-4-2-1-3-6%287%295-12%2Fh1-4H,3.0,167.088994979858,0.0,36.159,1.0,0.0833333333333333,2.57708,12.0,5.0,4.0,23.79,12.0,58.0,0.0,0.0,0.0,12.0,0.0,0.0,10.0833333333333,1.0,3.80622837370242,1.0,0.0,2.49307479224377
InChI%3D1S%2FC10H14%2Fc1-3-9-6-5-7-10%284-2%298-9%2Fh5-8H%2C3-4H2%2C1-2H3,0.0,120.109996795654,0.0,45.198,2.0,0.2,2.8114,10.0,6.0,5.0,0.0,10.0,44.0,0.0,0.0,0.0,10.0,0.0,0.0,8.1,0.0,4.0,0.0,0.0,2.28571428571429
InChI%3D1S%2FC6H3Cl3%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3H,3.0,178.424995422363,0.0,41.472,0.0,0.0,3.6468,9.0,5.0,4.0,0.0,9.0,42.0,0.0,0.0,0.0,9.0,0.0,0.0,7.11111111111111,0.0,2.72222222222222,0.0,0.0,1.70414201183432
InChI%3D1S%2FC10H15N%2Fc1-3-11%284-2%2910-8-6-5-7-9-10%2Fh5-9H%2C3-4H2%2C1-2H3,0.0,134.116996765137,0.0,50.003,3.0,0.272727272727273,2.5328,11.0,6.0,5.0,3.24,11.0,48.0,0.0,0.0,0.0,11.0,0.0,0.0,9.09090909090909,1.0,4.79289940828402,1.0,0.0,2.5
InChI%3D1S%2FC7H9N%2Fc1-8-7-5-3-2-4-6-7%2Fh2-6%2C8H%2C1H3,0.0,98.0839977264404,0.0,35.9887,1.0,0.125,1.7283,8.0,5.0,4.0,12.03,8.0,34.0,1.0,1.0,0.0,8.0,0.0,0.0,6.125,1.0,3.11111111111111,1.0,0.0,1.8
InChI%3D1S%2FC5H8O2%2Fc1-4%286%293-5%282%297%2Fh3H2%2C1-2H3,0.0,92.0529975891113,0.0,25.979,2.0,0.333333333333333,0.5545,7.0,4.0,3.0,34.14,6.0,26.0,0.0,0.0,0.0,6.0,0.0,0.0,7.0,2.0,3.06122448979592,2.0,0.0,6.0
InChI%3D1S%2FC6H6N2O2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H%2C7H2,0.0,132.077997207642,0.0,39.6764,1.0,0.1,1.7002,10.0,6.0,5.0,71.84,10.0,46.0,1.0,0.0,0.0,10.0,0.0,0.0,8.1,3.0,3.40828402366864,1.0,0.0,2.28571428571429
InChI%3D1S%2FC6H15N%2Fc1-2-3-4-5-6-7%2Fh2-7H2%2C1H3,0.0,86.072998046875,0.0,34.0311,4.0,0.666666666666667,0.8086,7.0,6.0,5.0,27.64,6.0,22.0,1.0,0.0,0.0,6.0,0.0,0.0,7.0,0.0,6.0,0.0,4.0,6.0
InChI%3D1S%2FC20H30O2%2Fc1-5-18%282%2912-9-15-14%2813-18%297-8-16-19%2815%2C3%2910-6-11-20%2816%2C4%2917%2821%2922%2Fh5%2C7%2C15-16H%2C1%2C6%2C8-13H2%2C2-4H3%2C%28H%2C21%2C22%29%2Ft15-%2C16%2B%2C18-%2C19%2B%2C20%2B%2Fm0%2Fs1,0.0,272.217992782593,0.0,87.5935,2.0,0.0833333333333333,3.8715,22.0,10.0,9.0,40.13,24.0,126.0,0.0,1.0,0.0,24.0,0.0,0.0,16.84375,1.0,5.52268244575937,2.0,10.0,2.51239669421488
InChI%3D1S%2FC6H2Cl4O2%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh11-12H,4.0,245.875993728638,0.0,49.8116,0.0,0.0,3.7114,12.0,5.0,4.0,40.46,12.0,60.0,2.0,2.0,0.0,12.0,2.0,0.0,10.0833333333333,2.0,3.39506172839506,2.0,0.0,1.5625
InChI%3D1S%2FC13H22N.ClH%2Fc1-4-14%285-2%2C6-3%2912-13-10-8-7-9-11-13%3B%2Fh7-11H%2C4-6%2C12H2%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1,0.0,170.149995803833,0.0,62.0294,5.0,0.357142857142857,3.0631,14.0,7.0,6.0,0.0,14.0,64.0,0.0,0.0,1.0,14.0,0.0,0.0,12.0714285714286,0.0,5.77777777777778,0.0,0.0,3.27272727272727
InChI%3D1S%2FC7H10%2Fc1-2-7-4-3-6%281%295-7%2Fh1-2%2C6-7H%2C3-5H2,0.0,84.076997756958,0.0,29.971,0.0,0.0,1.9725,7.0,3.0,2.0,0.0,8.0,38.0,0.0,0.0,0.0,8.0,0.0,0.0,3.9375,0.0,1.2396694214876,0.0,3.0,0.489795918367347
InChI%3D1S%2FC6H14S%2Fc1-3-5-7-6-4-2%2Fh3-6H2%2C1-2H3,0.0,104.132999420166,0.0,37.907,4.0,0.666666666666667,2.5396,7.0,6.0,5.0,25.3,6.0,22.0,0.0,0.0,0.0,6.0,0.0,0.0,7.0,1.0,6.0,1.0,2.0,6.0
InChI%3D1S%2FC3H6O2%2Fc1-3%284%295-2%2Fh1-2H3,0.0,68.0309982299805,0.0,17.69,1.0,0.25,0.1793,5.0,3.0,2.0,26.3,4.0,16.0,0.0,0.0,0.0,4.0,0.0,0.0,5.0,2.0,2.25,2.0,0.0,4.0
InChI%3D1S%2FC9H12O%2Fc1-6-4-5-7%282%299%2810%298%286%293%2Fh4-5%2C10H%2C1-3H3,0.0,124.097996711731,0.0,42.3178,0.0,0.0,2.3174,10.0,5.0,4.0,20.23,10.0,48.0,1.0,1.0,0.0,10.0,1.0,0.0,8.1,1.0,2.93877551020408,1.0,0.0,1.55017301038062
InChI%3D1S%2FC5H8O%2Fc1-3-4-5%282%296%2Fh1%2C5-6H%2C4H2%2C2H3,0.0,76.0539979934692,0.0,25.1308,1.0,0.2,0.3905,6.0,4.0,3.0,20.23,5.0,20.0,1.0,1.0,0.0,5.0,0.0,1.0,6.0,1.0,3.2,1.0,0.0,5.33333333333333
InChI%3D1S%2FC5H10O%2Fc1-3-5%282%294-6%2Fh4-5H%2C3H2%2C1-2H3,0.0,76.0539979934692,0.0,25.519,2.0,0.4,1.2314,6.0,4.0,3.0,17.07,5.0,20.0,0.0,0.0,0.0,5.0,0.0,0.0,6.0,1.0,3.2,1.0,3.0,3.0
InChI%3D1S%2FC7H6N2O3%2Fc8-7%2810%295-1-3-6%284-2-5%299%2811%2912%2Fh1-4H%2C%28H2%2C8%2C10%29,0.0,160.087996482849,0.0,43.7819,2.0,0.166666666666667,1.2169,12.0,7.0,6.0,88.91,12.0,56.0,1.0,0.0,0.0,12.0,0.0,0.0,10.0833333333333,4.0,4.296875,2.0,0.0,2.77777777777778
InChI%3D1S%2FC8H11N%2Fc1-2-7-3-5-8%289%296-4-7%2Fh3-6H%2C2%2C9H2%2C1H3,0.0,110.094997406006,0.0,40.2324,1.0,0.111111111111111,1.8312,9.0,6.0,5.0,26.02,9.0,40.0,1.0,0.0,0.0,9.0,0.0,0.0,7.11111111111111,1.0,3.2396694214876,1.0,0.0,2.0
InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh3-4%2C7H%2C2%2C5-6H2%2C1H3%2Fb4-3%2B,0.0,88.0649976730347,0.0,31.1338,3.0,0.5,1.335,7.0,6.0,5.0,20.23,6.0,22.0,1.0,1.0,0.0,6.0,0.0,1.0,7.0,1.0,6.0,1.0,1.0,6.0
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%2C1-2H3,1.0,326.746999740601,0.0,87.53,8.0,0.444444444444444,6.0709,18.0,11.0,10.0,110.96,18.0,82.0,0.0,0.0,0.0,18.0,0.0,0.0,16.0555555555556,5.0,8.22684310018904,5.0,0.0,6.144
InChI%3D1S%2FC6H6O%2Fc7-6-4-2-1-3-5-6%2Fh1-5%2C7H,0.0,88.0649976730347,0.0,28.1068,0.0,0.0,1.3922,7.0,4.0,3.0,20.23,7.0,30.0,1.0,1.0,0.0,7.0,1.0,0.0,5.14285714285714,1.0,2.34375,1.0,0.0,1.5
InChI%3D1S%2FC15H26O%2Fc1-6-15%285%2C16%2912-8-11-14%284%2910-7-9-13%282%293%2Fh6%2C9%2C11%2C16H%2C1%2C7-8%2C10%2C12H2%2C2-5H3%2Fb14-11%2B,0.0,196.163994789124,0.0,72.4768,7.0,0.466666666666667,4.3963,16.0,11.0,10.0,20.23,15.0,68.0,1.0,1.0,0.0,15.0,0.0,1.0,16.0,1.0,8.14404432132964,1.0,0.0,9.953125
InChI%3D1S%2FC12H11NO3S%2Fc14-17%2815%2C16%2912-7-4-8-13%2810-12%299-11-5-2-1-3-6-11%2Fh1-8%2C10H%2C9H2,0.0,238.202996253967,1.0,62.0055,3.0,0.166666666666667,1.5718,17.0,9.0,8.0,87.18,18.0,86.0,0.0,0.0,0.0,18.0,0.0,0.0,13.4320987654321,3.0,5.76,3.0,0.0,4.0
InChI%3D1S%2FC6H10%2Fc1-5%282%296%283%294%2Fh1%2C3H2%2C2%2C4H3,0.0,72.0659980773926,0.0,29.628,1.0,0.2,2.1386,6.0,3.0,2.0,0.0,5.0,22.0,0.0,0.0,0.0,5.0,0.0,0.0,6.0,0.0,2.22222222222222,0.0,0.0,3.0
InChI%3D1S%2FC4H5NO%2Fc1-4-2-6-3-5-4%2Fh2-3H%2C1H3,0.0,78.0499982833862,1.0,21.24,0.0,0.0,0.983,6.0,3.0,2.0,26.03,6.0,26.0,0.0,0.0,0.0,6.0,0.0,0.0,4.16666666666667,1.0,1.63265306122449,2.0,0.0,0.979591836734694
InChI%3D1S%2FC14H23NO4%2Fc1-16-7-5-6-15-10-11-8-12%2817-2%2914%2819-4%2913%289-11%2918-3%2Fh8-9%2C15H%2C5-7%2C10H2%2C1-4H3,0.0,246.156993865967,0.0,75.2214,9.0,0.473684210526316,0.812299999999999,19.0,12.0,11.0,53.53,19.0,84.0,1.0,0.0,1.0,19.0,0.0,0.0,17.0526315789474,4.0,9.8336483931947,4.0,0.0,5.47919143876338
InChI%3D1S%2FC7H5NO3%2Fc9-5-6-1-3-7%284-2-6%298%2810%2911%2Fh1-5H,0.0,146.080996513367,0.0,40.6515,2.0,0.181818181818182,1.9305,11.0,7.0,6.0,62.89,11.0,50.0,0.0,0.0,0.0,11.0,0.0,0.0,9.09090909090909,3.0,4.13265306122449,1.0,0.0,2.5
InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3,0.0,96.0879974365234,0.0,35.82,1.0,0.125,2.249,8.0,5.0,4.0,0.0,8.0,34.0,0.0,0.0,0.0,8.0,0.0,0.0,6.125,0.0,3.11111111111111,0.0,0.0,1.8
InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh3-4%2C7H%2C2%2C5-6H2%2C1H3%2Fb4-3-,0.0,88.0649976730347,0.0,31.1338,3.0,0.5,1.335,7.0,6.0,5.0,20.23,6.0,22.0,1.0,1.0,0.0,6.0,0.0,1.0,7.0,1.0,6.0,1.0,1.0,6.0
InChI%3D1S%2FC6H12ClN.ClH%2Fc7-3-6-8-4-1-2-5-8%3B%2Fh1-6H2%3B1H,1.0,121.525997161865,1.0,35.1369,2.0,0.25,1.4731,8.0,5.0,4.0,4.44,8.0,34.0,1.0,1.0,1.0,8.0,0.0,0.0,6.125,0.0,3.11111111111111,0.0,0.0,1.8
InChI%3D1S%2FC3H9NO%2Fc1-3%285%292-4%2Fh3%2C5H%2C2%2C4H2%2C1H3,0.0,66.0389986038208,0.0,21.5699,1.0,0.25,-1.3909,5.0,3.0,2.0,47.87,4.0,16.0,2.0,1.0,0.0,4.0,0.0,1.0,5.0,1.0,2.25,1.0,0.0,4.0
InChI%3D1S%2FC8H14%2Fc1-7%282%295-6-8%283%294%2Fh5-6H%2C1-4H3,0.0,96.0879974365234,0.0,38.862,1.0,0.142857142857143,2.9188,8.0,5.0,4.0,0.0,7.0,30.0,0.0,0.0,0.0,7.0,0.0,0.0,8.0,0.0,3.9375,0.0,0.0,7.2
InChI%3D1S%2FC6H4Cl2O2%2Fc7-3-1-5%289%296%2810%292-4%283%298%2Fh1-2%2C9-10H,2.0,174.969995498657,0.0,39.7916,0.0,0.0,2.4046,10.0,5.0,4.0,40.46,10.0,48.0,2.0,2.0,0.0,10.0,2.0,0.0,8.1,2.0,2.93877551020408,2.0,0.0,1.75
InChI%3D1S%2FC9H13N%2Fc1-3-10-9-6-4-5-8%282%297-9%2Fh4-7%2C10H%2C3H2%2C1-2H3,0.0,122.105997085571,0.0,45.3427,2.0,0.2,2.4268,10.0,6.0,5.0,12.03,10.0,44.0,1.0,1.0,0.0,10.0,0.0,0.0,8.1,1.0,4.0,1.0,0.0,2.6508875739645
InChI%3D1S%2FC14H26O4%2Fc1-3-17-13%2815%2911-9-7-5-6-8-10-12-14%2816%2918-4-2%2Fh3-12H2%2C1-2H3,0.0,232.149993896484,0.0,70.202,13.0,0.764705882352941,3.2334,18.0,15.0,14.0,52.6,17.0,70.0,0.0,0.0,0.0,17.0,0.0,0.0,18.0,4.0,13.4320987654321,4.0,6.0,13.2871972318339
InChI%3D1S%2FC3H2N2%2Fc4-2-1-3-5%2Fh1H2,0.0,64.0469989776611,0.0,15.843,0.0,0.0,0.42366,5.0,4.0,3.0,47.58,4.0,14.0,0.0,0.0,0.0,4.0,0.0,0.0,5.0,2.0,4.0,2.0,0.0,4.0
InChI%3D1S%2FC10H14O%2Fc11-10-8-2-6-1-7%284-8%295-9%2810%293-6%2Fh6-9H%2C1-5H2,0.0,136.108996391296,0.0,42.052,0.0,0.0,2.0116,11.0,5.0,4.0,17.07,13.0,66.0,0.0,0.0,0.0,13.0,0.0,0.0,6.50887573964497,1.0,2.025,1.0,7.0,0.816326530612245
InChI%3D1S%2FC6H4ClNO2%2Fc7-5-2-1-3-6%284-5%298%289%2910%2Fh1-4H,1.0,153.523996353149,0.0,40.274,1.0,0.1,2.7714,10.0,5.0,4.0,45.82,10.0,46.0,0.0,0.0,0.0,10.0,0.0,0.0,8.1,2.0,3.40828402366864,0.0,0.0,2.28571428571429
InChI%3D1S%2FC6H5ClN2O2%2Fc7-5-3-4%289%2810%2911%291-2-6%285%298%2Fh1-3H%2C8H2,1.0,167.530996322632,0.0,44.6864,1.0,0.0909090909090909,2.3536,11.0,6.0,5.0,71.84,11.0,52.0,1.0,0.0,0.0,11.0,0.0,0.0,9.09090909090909,3.0,3.6,1.0,0.0,2.21453287197232
InChI%3D1S%2FC2H5NO%2Fc1-2-3-4%2Fh2%2C4H%2C1H3,0.0,54.0279989242554,0.0,15.9525,0.0,0.0,0.4663,4.0,3.0,2.0,32.59,3.0,10.0,1.0,1.0,0.0,3.0,0.0,0.0,4.0,2.0,3.0,2.0,0.0,4.0
InChI%3D1S%2FC7H5ClO2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-4%2C10H,1.0,151.527996063232,0.0,38.5043,1.0,0.1,1.8581,10.0,5.0,4.0,37.3,10.0,46.0,1.0,1.0,0.0,10.0,1.0,0.0,8.1,2.0,3.40828402366864,2.0,0.0,1.99111111111111
InChI%3D1S%2FC10H23N%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh2-11H2%2C1H3,0.0,134.116996765137,0.0,52.4991,8.0,0.8,2.369,11.0,10.0,9.0,27.64,10.0,38.0,1.0,0.0,0.0,10.0,0.0,0.0,11.0,0.0,10.0,0.0,8.0,10.0
InChI%3D1S%2FC8H14O%2Fc1-3-5-6-7-8%289%294-2%2Fh2%2C8-9H%2C3%2C5-7H2%2C1H3,0.0,112.086997032166,0.0,38.9818,4.0,0.5,1.5608,9.0,7.0,6.0,20.23,8.0,32.0,1.0,1.0,0.0,8.0,0.0,1.0,9.0,1.0,6.125,1.0,4.0,5.87755102040816
InChI%3D1S%2FC13H29N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14%2Fh2-14H2%2C1H3,0.0,170.149995803833,0.0,66.3501,11.0,0.846153846153846,3.5393,14.0,13.0,12.0,27.64,13.0,50.0,1.0,0.0,0.0,13.0,0.0,0.0,14.0,0.0,13.0,0.0,11.0,13.0909090909091
InChI%3D1S%2FC12H9NO3%2Fc14-13%2815%2910-6-8-12%289-7-10%2916-11-4-2-1-3-5-11%2Fh1-9H,0.0,206.135994911194,0.0,61.78,3.0,0.176470588235294,3.9103,16.0,10.0,9.0,55.05,17.0,78.0,0.0,0.0,0.0,17.0,0.0,0.0,12.4567474048443,3.0,6.07438016528926,1.0,0.0,3.76923076923077
InChI%3D1S%2FC6H10O%2Fc1-4-6%283%2C7%295-2%2Fh1%2C7H%2C5H2%2C2-3H3,0.0,88.0649976730347,0.0,29.7478,1.0,0.166666666666667,0.7806,7.0,4.0,3.0,20.23,6.0,28.0,1.0,1.0,0.0,6.0,0.0,1.0,7.0,1.0,2.34375,1.0,1.0,2.66666666666667
InChI%3D1S%2FC4H11N%2Fc1-2-3-4-5%2Fh2-5H2%2C1H3,0.0,62.0509986877441,0.0,24.7971,2.0,0.5,0.0284,5.0,4.0,3.0,27.64,4.0,14.0,1.0,0.0,0.0,4.0,0.0,0.0,5.0,0.0,4.0,0.0,2.0,4.0
InChI%3D1S%2FC6H4Br2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H,2.0,231.873996734619,0.0,41.842,0.0,0.0,3.2116,8.0,4.0,3.0,0.0,8.0,36.0,0.0,0.0,0.0,8.0,0.0,0.0,6.125,0.0,2.52,0.0,0.0,1.48760330578512
InChI%3D1S%2FCHI3%2Fc2-1%283%294%2Fh1H,3.0,392.722997665405,0.0,45.848,0.0,0.0,2.575,4.0,2.0,1.0,0.0,3.0,12.0,0.0,0.0,0.0,3.0,0.0,0.0,4.0,0.0,1.33333333333333,0.0,0.0,0.0
InChI%3D1S%2FC2H3Cl2NO%2Fc3-1%284%292%285%296%2Fh1H%2C%28H2%2C5%2C6%29,2.0,124.933997154236,0.0,25.8495,1.0,0.2,1.3254,6.0,3.0,2.0,44.08,5.0,22.0,2.0,2.0,0.0,5.0,0.0,1.0,6.0,2.0,2.22222222222222,2.0,0.0,3.0
InChI%3D1S%2FC6H13NO%2Fc1-5-3-7-4-6%282%298-5%2Fh5-7H%2C3-4H2%2C1-2H3,0.0,102.071997642517,1.0,31.2876,0.0,0.0,0.9262,8.0,4.0,3.0,25.84,8.0,36.0,1.0,0.0,1.0,8.0,0.0,0.0,6.125,1.0,2.52,1.0,0.0,1.8
InChI%3D1S%2FC8H19N%2Fc1-7%282%2C3%296-8%284%2C5%299%2Fh6%2C9H2%2C1-5H3,0.0,110.094997406006,0.0,43.1731,2.0,0.25,1.4431,9.0,4.0,3.0,27.64,8.0,42.0,1.0,0.0,0.0,8.0,0.0,0.0,9.0,0.0,2.31952662721893,0.0,4.0,8.0
InChI%3D1S%2FC8H8O3%2Fc1-11-8-4-6%285-9%292-3-7%288%2910%2Fh2-5%2C10H%2C1H3,0.0,144.08499622345,0.0,40.0463,2.0,0.181818181818182,1.2133,11.0,6.0,5.0,46.53,11.0,50.0,1.0,1.0,0.0,11.0,1.0,0.0,9.09090909090909,3.0,4.13265306122449,3.0,0.0,2.21453287197232
InChI%3D1S%2FC8H8ClNO%2Fc1-6-7%289%293-2-4-8%286%2910-5-11%2Fh2-5H%2C1H3%2C%28H%2C10%2C11%29,1.0,161.546996116638,0.0,46.9698,1.0,0.0909090909090909,2.8662,11.0,6.0,5.0,32.59,11.0,50.0,1.0,1.0,0.0,11.0,0.0,1.0,9.09090909090909,2.0,4.13265306122449,2.0,0.0,2.21453287197232
InChI%3D1S%2FC9H12%2Fc1-7-4-5-8%282%299%283%296-7%2Fh4-6H%2C1-3H3,0.0,108.098997116089,0.0,40.653,0.0,0.0,2.6118,9.0,5.0,4.0,0.0,9.0,42.0,0.0,0.0,0.0,9.0,0.0,0.0,7.11111111111111,0.0,2.72222222222222,0.0,0.0,1.70414201183432
InChI%3D1S%2FC7H12O2%2Fc1-4-7%288%299-5-6%282%293%2Fh4%2C6H%2C1%2C5H2%2C2-3H3,0.0,116.074996948242,0.0,35.994,4.0,0.5,1.3716,9.0,6.0,5.0,26.3,8.0,34.0,0.0,0.0,0.0,8.0,0.0,0.0,9.0,2.0,4.83950617283951,2.0,2.0,5.87755102040816
InChI%3D1S%2FC8H16O2%2Fc1-3-4-5-6-7-10-8%282%299%2Fh3-7H2%2C1-2H3,0.0,128.085996627808,0.0,40.775,6.0,0.666666666666667,2.1298,10.0,8.0,7.0,26.3,9.0,36.0,0.0,0.0,0.0,9.0,0.0,0.0,10.0,2.0,7.11111111111111,2.0,4.0,9.14285714285714
InChI%3D1S%2FC6H4N2O4%2Fc9-7%2810%295-1-2-6%284-3-5%298%2811%2912%2Fh1-4H,0.0,164.075996398926,0.0,44.086,2.0,0.166666666666667,2.5494,12.0,7.0,6.0,91.64,12.0,56.0,0.0,0.0,0.0,12.0,0.0,0.0,10.0833333333333,4.0,4.296875,0.0,0.0,2.77777777777778
InChI%3D1S%2FC3H6Br2%2Fc4-2-1-3-5%2Fh1-3H2,2.0,195.840997695923,0.0,32.205,2.0,0.5,2.1663,5.0,4.0,3.0,0.0,4.0,14.0,0.0,0.0,0.0,4.0,0.0,0.0,5.0,0.0,4.0,0.0,0.0,4.0
InChI%3D1S%2FC7H7NO%2Fc1-6%289%297-2-4-8-5-3-7%2Fh2-5H%2C1H3,0.0,114.082997322083,1.0,34.2415,1.0,0.111111111111111,1.2842,9.0,5.0,4.0,29.96,9.0,40.0,0.0,0.0,0.0,9.0,0.0,0.0,7.11111111111111,2.0,3.2396694214876,2.0,0.0,2.0
InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H,0.0,64.0429983139038,1.0,18.708,0.0,0.0,1.2796,5.0,2.0,1.0,13.14,5.0,20.0,0.0,0.0,0.0,5.0,0.0,0.0,3.2,0.0,1.44,1.0,0.0,0.64
InChI%3D1S%2FC16H22O4%2Fc1-3-5-11-19-15%2817%2913-7-9-14%2810-8-13%2916%2818%2920-12-6-4-2%2Fh7-10H%2C3-6%2C11-12H2%2C1-2H3,0.0,256.171993255615,0.0,76.823,10.0,0.5,3.6004,20.0,15.0,14.0,52.6,20.0,88.0,0.0,0.0,0.0,20.0,0.0,0.0,18.05,4.0,10.6875,4.0,4.0,7.02551020408163
InChI%3D1S%2FC9H7NO2%2Fc1-12-9%2811%298-4-2-7%286-10%293-5-8%2Fh2-5H%2C1H3,0.0,154.103996276855,0.0,42.4965,2.0,0.166666666666667,1.34488,12.0,8.0,7.0,50.09,12.0,54.0,0.0,0.0,0.0,12.0,0.0,0.0,10.0833333333333,3.0,4.88888888888889,3.0,0.0,2.77777777777778
InChI%3D1S%2FC9H15NO6%2Fc1-4-14-7%2811%2910%288%2812%2915-5-2%299%2813%2916-6-3%2Fh4-6H2%2C1-3H3,0.0,218.099994659424,0.0,52.905,9.0,0.6,1.7579,16.0,8.0,7.0,82.14,15.0,66.0,0.0,0.0,0.0,15.0,0.0,0.0,16.0,7.0,9.07407407407407,7.0,0.0,5.77777777777778
InChI%3D1S%2FC7H5F4N%2Fc8-4-1-2-6%2812%295%283-4%297%289%2C10%2911%2Fh1-3H%2C12H2,4.0,174.075994491577,0.0,35.8144,1.0,0.0833333333333333,2.4267,12.0,5.0,4.0,26.02,12.0,60.0,1.0,0.0,0.0,12.0,0.0,0.0,10.0833333333333,1.0,3.39506172839506,1.0,0.0,2.49307479224377
InChI%3D1S%2FC7H5Cl2NO%2Fc8-4-1-2-5%287%2810%2911%296%289%293-4%2Fh1-3H%2C%28H2%2C10%2C11%29,2.0,184.988995552063,0.0,45.9195,1.0,0.0909090909090909,2.8768,11.0,6.0,5.0,44.08,11.0,52.0,2.0,2.0,0.0,11.0,0.0,1.0,9.09090909090909,2.0,3.6,2.0,0.0,2.21453287197232
InChI%3D1S%2FC3H9N%2Fc1-2-3-4%2Fh2-4H2%2C1H3,0.0,50.0399990081787,0.0,20.1801,1.0,0.333333333333333,-0.3617,4.0,3.0,2.0,27.64,3.0,10.0,1.0,0.0,0.0,3.0,0.0,0.0,4.0,0.0,3.0,0.0,1.0,4.0
InChI%3D1S%2FC7H7ClO%2Fc1-5-4-6%289%292-3-7%285%298%2Fh2-4%2C9H%2C1H3,1.0,135.52899646759,0.0,37.8538,0.0,0.0,2.354,9.0,5.0,4.0,20.23,9.0,42.0,1.0,1.0,0.0,9.0,1.0,0.0,7.11111111111111,1.0,2.72222222222222,1.0,0.0,1.70414201183432
InChI%3D1S%2FC6H6N2O3%2Fc7-4-1-2-6%289%295%283-4%298%2810%2911%2Fh1-3%2C9H%2C7H2,0.0,148.076996803284,0.0,41.3412,1.0,0.0909090909090909,1.4058,11.0,5.0,4.0,92.07,11.0,52.0,2.0,1.0,0.0,11.0,1.0,0.0,9.09090909090909,4.0,3.6,2.0,0.0,2.21453287197232
InChI%3D1S%2FC2H7NO%2Fc3-1-2-4%2Fh4H%2C1-3H2,0.0,54.0279989242554,0.0,16.9749,1.0,0.333333333333333,-1.7794,4.0,3.0,2.0,47.87,3.0,10.0,2.0,1.0,0.0,3.0,0.0,1.0,4.0,1.0,3.0,1.0,0.0,4.0
InChI%3D1S%2FC11H16O%2Fc1-11%282%2C12%299-8-10-6-4-3-5-7-10%2Fh3-7%2C12H%2C8-9H2%2C1-2H3,0.0,148.119996070862,0.0,51.0608,3.0,0.25,2.3901,12.0,7.0,6.0,20.23,12.0,56.0,1.0,1.0,0.0,12.0,0.0,1.0,10.0833333333333,1.0,4.296875,1.0,0.0,4.59183673469388
InChI%3D1S%2FC12H20O4%2Fc1-3-5-9-15-11%2813%297-8-12%2814%2916-10-6-4-2%2Fh7-8H%2C3-6%2C9-10H2%2C1-2H3,0.0,208.127994537354,0.0,60.874,10.0,0.666666666666667,2.2292,16.0,13.0,12.0,52.6,15.0,62.0,0.0,0.0,0.0,15.0,0.0,0.0,16.0,4.0,11.484375,4.0,4.0,11.3244444444444
InChI%3D1S%2FC12H27O4P%2Fc1-4-7-10-14-17%2813%2C15-11-8-5-2%2916-12-9-6-3%2Fh4-12H2%2C1-3H3,0.0,239.10199546814,0.0,70.1865,12.0,0.75,4.5446,17.0,10.0,9.0,54.57,16.0,68.0,0.0,0.0,0.0,16.0,0.0,0.0,17.0,4.0,11.1111111111111,4.0,6.0,9.679012345679
InChI%3D1S%2FC10H14O%2Fc1-2-3-9-11-10-7-5-4-6-8-10%2Fh4-8H%2C2-3%2C9H2%2C1H3,0.0,136.108996391296,0.0,46.845,4.0,0.363636363636364,2.8655,11.0,8.0,7.0,9.23,11.0,46.0,0.0,0.0,0.0,11.0,0.0,0.0,9.09090909090909,1.0,5.625,1.0,2.0,3.78698224852071
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%29,2.0,223.017994880676,0.0,59.8728,2.0,0.142857142857143,3.1005,14.0,8.0,7.0,35.83,14.0,66.0,1.0,1.0,1.0,14.0,0.0,1.0,12.0714285714286,3.0,5.18559556786704,3.0,0.0,3.59183673469388
InChI%3D1S%2FC8H11N%2Fc1-3-8-5-4-7%282%299-6-8%2Fh4-6H%2C3H2%2C1-2H3,0.0,110.094997406006,1.0,38.352,1.0,0.111111111111111,1.9524,9.0,6.0,5.0,12.89,9.0,40.0,0.0,0.0,0.0,9.0,0.0,0.0,7.11111111111111,1.0,3.2396694214876,1.0,0.0,2.0
InChI%3D1S%2FC4H8Cl2%2Fc5-3-1-2-4-6%2Fh1-4H2,2.0,118.949996948242,0.0,30.674,3.0,0.6,2.2442,6.0,5.0,4.0,0.0,5.0,18.0,0.0,0.0,0.0,5.0,0.0,0.0,6.0,0.0,5.0,0.0,0.0,5.33333333333333
InChI%3D1S%2FC8H16O%2Fc1-7%282%295-6-8%283%2C4%299-7%2Fh5-6H2%2C1-4H3,0.0,112.086997032166,1.0,38.477,0.0,0.0,2.354,9.0,4.0,3.0,9.23,9.0,48.0,0.0,0.0,0.0,9.0,0.0,0.0,7.11111111111111,1.0,1.74222222222222,1.0,0.0,1.70414201183432
InChI%3D1S%2FC3H10N2%2Fc4-2-1-3-5%2Fh1-5H2,0.0,64.0469989776611,0.0,24.3952,2.0,0.5,-2.1397,5.0,4.0,3.0,55.28,4.0,14.0,2.0,0.0,0.0,4.0,0.0,0.0,5.0,0.0,4.0,0.0,0.0,4.0
InChI%3D1S%2FC6H4N2O5%2Fc9-6-3-4%287%2810%2911%291-2-5%286%298%2812%2913%2Fh1-3%2C9H,0.0,180.074995994568,0.0,45.7508,2.0,0.153846153846154,2.255,13.0,7.0,6.0,111.87,13.0,62.0,1.0,1.0,0.0,13.0,1.0,0.0,11.0769230769231,5.0,4.48148148148148,1.0,0.0,2.72108843537415
InChI%3D1S%2FC8H8O3%2Fc1-11-7-4-2-3-6%285-9%298%287%2910%2Fh2-5%2C10H%2C1H3,0.0,144.08499622345,0.0,40.0463,2.0,0.181818181818182,1.2133,11.0,6.0,5.0,46.53,11.0,50.0,1.0,1.0,0.0,11.0,1.0,0.0,9.09090909090909,3.0,4.13265306122449,3.0,0.0,1.97530864197531
InChI%3D1S%2FC12H23N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13%2Fh2-11H2%2C1H3,0.0,158.138996124268,0.0,57.457,9.0,0.75,4.43088,13.0,12.0,11.0,23.79,12.0,46.0,0.0,0.0,0.0,12.0,0.0,0.0,13.0,1.0,12.0,1.0,10.0,12.0
InChI%3D1S%2FC6H5NO2%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H,0.0,118.070997238159,0.0,35.264,1.0,0.111111111111111,2.118,9.0,5.0,4.0,45.82,9.0,40.0,0.0,0.0,0.0,9.0,0.0,0.0,7.11111111111111,2.0,3.2396694214876,0.0,0.0,2.0
InChI%3D1S%2FC7H12O%2Fc1-5-7%284%2C8%296%282%293%2Fh1%2C6%2C8H%2C2-4H3,0.0,100.0759973526,0.0,34.2948,1.0,0.142857142857143,1.0266,8.0,4.0,3.0,20.23,7.0,34.0,1.0,1.0,0.0,7.0,0.0,1.0,8.0,1.0,2.52,1.0,2.0,2.22222222222222
InChI%3D1S%2FC11H18N2O2S.Na%2Fc1-4-6-7%283%2911%285-2%298%2814%2912-10%2816%2913-9%2811%2915%3B%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29%3B%2Fq%3B%2B1%2Fp-1,0.0,224.199996948242,1.0,61.9617,4.0,0.25,1.7742,16.0,8.0,7.0,100.1,16.0,78.0,1.0,2.0,0.0,16.0,0.0,1.0,14.0625,4.0,5.55765595463138,5.0,7.0,2.48828125
InChI%3D1S%2FC11H9N%2Fc1-2-4-10%285-3-1%2911-6-8-12-9-7-11%2Fh1-9H,0.0,146.127996444702,1.0,49.673,1.0,0.0769230769230769,2.7486,12.0,7.0,6.0,12.89,13.0,58.0,0.0,0.0,0.0,13.0,0.0,0.0,8.59171597633136,1.0,4.296875,1.0,0.0,2.25
InChI%3D1S%2FC7H17N%2Fc1-2-3-4-5-6-7-8%2Fh2-8H2%2C1H3,0.0,98.0839977264404,0.0,38.6481,5.0,0.714285714285714,1.1987,8.0,7.0,6.0,27.64,7.0,26.0,1.0,0.0,0.0,7.0,0.0,0.0,8.0,0.0,7.0,0.0,5.0,7.2
InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2%2Fb2-1%2B,2.0,106.938997268677,0.0,25.713,1.0,0.25,1.9777,5.0,4.0,3.0,0.0,4.0,14.0,0.0,0.0,0.0,4.0,0.0,0.0,5.0,0.0,4.0,0.0,0.0,4.0
InChI%3D1S%2FC9H10O3%2Fc1-6%2810%298-4-3-7%2812-2%295-9%288%2911%2Fh3-5%2C11H%2C1-2H3,0.0,156.095995903015,0.0,44.6633,2.0,0.166666666666667,1.6034,12.0,7.0,6.0,46.53,12.0,56.0,1.0,1.0,0.0,12.0,1.0,0.0,10.0833333333333,3.0,4.296875,3.0,0.0,2.49307479224377
InChI%3D1S%2FC8H7BrO3%2Fc1-12-7-3-5%284-10%292-6%289%298%287%2911%2Fh2-4%2C11H%2C1H3,1.0,223.988995552063,0.0,47.7463,2.0,0.166666666666667,1.9758,12.0,6.0,5.0,46.53,12.0,56.0,1.0,1.0,0.0,12.0,1.0,0.0,10.0833333333333,3.0,4.296875,3.0,0.0,2.25
InChI%3D1S%2FC13H10O3%2Fc14-12-9-5-4-8-11%2812%2913%2815%2916-10-6-2-1-3-7-10%2Fh1-9%2C14H,0.0,204.139994621277,0.0,59.5073,3.0,0.176470588235294,2.6114,16.0,9.0,8.0,46.53,17.0,78.0,1.0,1.0,0.0,17.0,1.0,0.0,12.4567474048443,3.0,6.07438016528926,3.0,0.0,3.49519890260631
InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H,0.0,112.086997032166,1.0,36.214,0.0,0.0,2.4328,9.0,4.0,3.0,13.14,10.0,46.0,0.0,0.0,0.0,10.0,0.0,0.0,5.76,0.0,2.31952662721893,1.0,0.0,0.996539792387543
InChI%3D1S%2FC7H9N%2Fc1-6-2-4-7%288%295-3-6%2Fh2-5H%2C8H2%2C1H3,0.0,98.0839977264404,0.0,35.5914,0.0,0.0,1.5772,8.0,5.0,4.0,26.02,8.0,36.0,1.0,0.0,0.0,8.0,0.0,0.0,6.125,1.0,2.52,1.0,0.0,1.8
InChI%3D1S%2FC8H8O4%2Fc1-12-8%2811%296-3-2-5%289%294-7%286%2910%2Fh2-4%2C9-10H%2C1H3,0.0,160.083995819092,0.0,41.1111,2.0,0.166666666666667,0.8844,12.0,7.0,6.0,66.76,12.0,56.0,2.0,2.0,0.0,12.0,2.0,0.0,10.0833333333333,4.0,4.296875,4.0,0.0,2.49307479224377
InChI%3D1S%2FC12H17NO2%2Fc1-12%282%2C3%299-5-7-10%288-6-9%2915-11%2814%2913-4%2Fh5-8H%2C1-4H3%2C%28H%2C13%2C14%29,0.0,190.136995315552,0.0,61.7578,3.0,0.2,2.9067,15.0,9.0,8.0,41.82,15.0,72.0,1.0,1.0,0.0,15.0,0.0,1.0,13.0666666666667,3.0,5.36507936507936,3.0,0.0,4.16528925619835
InChI%3D1S%2FC8H9NO%2Fc1-6%2810%297-3-2-4-8%289%295-7%2Fh2-5H%2C9H2%2C1H3,0.0,126.093997001648,0.0,40.8589,1.0,0.1,1.4714,10.0,5.0,4.0,43.09,10.0,46.0,1.0,0.0,0.0,10.0,0.0,0.0,8.1,2.0,3.40828402366864,2.0,0.0,2.28571428571429
InChI%3D1S%2FC9H11NO2%2Fc1-2-12-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6H%2C2%2C10H2%2C1H3,0.0,154.103996276855,0.0,46.8109,3.0,0.25,1.4455,12.0,8.0,7.0,52.32,12.0,54.0,1.0,0.0,0.0,12.0,0.0,0.0,10.0833333333333,3.0,4.88888888888889,3.0,0.0,3.11418685121107
InChI%3D1S%2FC7H4ClNO3%2Fc8-7-2-1-6%289%2811%2912%293-5%287%294-10%2Fh1-4H,1.0,181.533995628357,0.0,45.6615,2.0,0.166666666666667,2.5839,12.0,6.0,5.0,62.89,12.0,56.0,0.0,0.0,0.0,12.0,0.0,0.0,10.0833333333333,3.0,4.296875,1.0,0.0,2.49307479224377
InChI%3D1S%2FC7H6O2.Na%2Fc8-7%289%296-4-2-1-3-5-6%3B%2Fh1-5H%2C%28H%2C8%2C9%29%3B%2Fq%3B%2B1%2Fp-1,0.0,116.074996948242,0.0,31.459,1.0,0.111111111111111,0.0501,9.0,5.0,4.0,40.13,9.0,40.0,0.0,1.0,0.0,9.0,0.0,0.0,7.11111111111111,1.0,3.2396694214876,2.0,0.0,2.0
InChI%3D1S%2FC4H11N%2Fc1-3-4%282%295%2Fh4H%2C3%2C5H2%2C1-2H3,0.0,62.0509986877441,0.0,24.7751,1.0,0.25,0.0268000000000002,5.0,3.0,2.0,27.64,4.0,16.0,1.0,0.0,0.0,4.0,0.0,0.0,5.0,0.0,2.25,0.0,1.0,4.0
InChI%3D1S%2FC7H5NO3%2Fc9-5-6-3-1-2-4-7%286%298%2810%2911%2Fh1-5H,0.0,146.080996513367,0.0,40.6515,2.0,0.181818181818182,1.9305,11.0,5.0,4.0,62.89,11.0,50.0,0.0,0.0,0.0,11.0,0.0,0.0,9.09090909090909,3.0,4.13265306122449,1.0,0.0,2.21453287197232
InChI%3D1S%2FC7H6Cl2%2Fc1-5-2-3-6%288%297%289%294-5%2Fh2-4H%2C1H3,2.0,154.982995986938,0.0,41.199,0.0,0.0,3.3018,9.0,5.0,4.0,0.0,9.0,42.0,0.0,0.0,0.0,9.0,0.0,0.0,7.11111111111111,0.0,2.72222222222222,0.0,0.0,1.70414201183432
InChI%3D1S%2FC8H5Cl3O%2Fc1-4%2812%295-2-3-6%289%298%2811%297%285%2910%2Fh2-3H%2C1H3,3.0,218.445994377136,0.0,51.4765,1.0,0.0833333333333333,3.8494,12.0,6.0,5.0,17.07,12.0,58.0,0.0,0.0,0.0,12.0,0.0,0.0,10.0833333333333,1.0,3.80622837370242,1.0,0.0,2.04081632653061
InChI%3D1S%2FC10H20O%2Fc1-3-4-5-6-7-8-9-10%282%2911%2Fh3-9H2%2C1-2H3,0.0,136.108996391296,0.0,48.674,7.0,0.7,3.326,11.0,9.0,8.0,17.07,10.0,40.0,0.0,0.0,0.0,10.0,0.0,0.0,11.0,1.0,8.1,1.0,7.0,10.0
InChI%3D1S%2FC7H7NO2%2Fc8-7%2810%295-3-1-2-4-6%285%299%2Fh1-4%2C9H%2C%28H2%2C8%2C10%29,0.0,130.081996917725,0.0,37.5643,1.0,0.1,1.2756,10.0,5.0,4.0,64.31,10.0,46.0,3.0,3.0,0.0,10.0,1.0,1.0,8.1,3.0,3.40828402366864,3.0,0.0,1.99111111111111
InChI%3D1S%2FC3H4O%2Fc1-2-3-4%2Fh1%2C4H%2C3H2,0.0,52.0319986343384,0.0,15.9188,0.0,0.0,-0.3881,4.0,3.0,2.0,20.23,3.0,10.0,1.0,1.0,0.0,3.0,0.0,1.0,4.0,1.0,3.0,1.0,0.0,4.0
InChI%3D1S%2FC9H10O3%2Fc1-2-12-9%2811%297-5-3-4-6-8%287%2910%2Fh3-6%2C10H%2C2H2%2C1H3,0.0,156.095995903015,0.0,44.0633,3.0,0.25,1.5689,12.0,7.0,6.0,46.53,12.0,54.0,1.0,1.0,0.0,12.0,1.0,0.0,10.0833333333333,3.0,4.88888888888889,3.0,0.0,2.77777777777778
InChI%3D1S%2FC20H34O%2Fc1-7-19%285%2C21%2914-11-16-15%282%299-10-17-18%283%2C4%2912-8-13-20%2816%2C17%296%2Fh7%2C16-17%2C21H%2C1-2%2C8-14H2%2C3-6H3%2Ft16-%2C17%3F%2C19%2B%2C20%2B%2Fm0%2Fs1,0.0,256.218993186951,0.0,91.1478,4.0,0.181818181818182,5.5024,21.0,9.0,8.0,20.23,22.0,114.0,1.0,1.0,0.0,22.0,0.0,1.0,17.3553719008264,1.0,5.89387755102041,1.0,11.0,3.34710743801653
InChI%3D1S%2FC9H14N.HI%2Fc1-10%282%2C3%299-7-5-4-6-8-9%3B%2Fh4-8H%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1,0.0,122.105997085571,0.0,46.008,1.0,0.1,1.8833,10.0,5.0,4.0,0.0,10.0,48.0,0.0,0.0,1.0,10.0,0.0,0.0,8.1,0.0,2.93877551020408,0.0,0.0,2.28571428571429
InChI%3D1S%2FC6H15N3%2Fc7-1-4-9-5-2-8-3-6-9%2Fh8H%2C1-7H2,0.0,114.08699798584,1.0,36.3506,2.0,0.222222222222222,-1.1714,9.0,6.0,5.0,48.69,9.0,38.0,3.0,1.0,2.0,9.0,0.0,0.0,7.11111111111111,0.0,3.92,0.0,0.0,2.3801652892562
InChI%3D1S%2FC4Cl6%2Fc5-1%283%287%298%292%286%294%289%2910,6.0,260.761993408203,0.0,49.17,1.0,0.111111111111111,4.7574,10.0,5.0,4.0,0.0,9.0,42.0,0.0,0.0,0.0,9.0,0.0,0.0,10.0,0.0,4.0,0.0,0.0,3.11111111111111
InChI%3D1S%2FC11H12O2%2Fc1-9%282%2911%2812%2913-8-10-6-4-3-5-7-10%2Fh3-7H%2C1%2C8H2%2C2H3,0.0,164.118995666504,0.0,51.052,4.0,0.307692307692308,2.3059,13.0,8.0,7.0,26.3,13.0,58.0,0.0,0.0,0.0,13.0,0.0,0.0,11.0769230769231,2.0,5.671875,2.0,0.0,4.1522491349481
InChI%3D1S%2FC2H5ClO%2Fc3-1-2-4%2Fh4H%2C1-2H2,1.0,75.4739980697632,0.0,17.8058,1.0,0.333333333333333,0.2175,4.0,3.0,2.0,20.23,3.0,10.0,1.0,1.0,0.0,3.0,0.0,1.0,4.0,1.0,3.0,1.0,0.0,4.0
InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H,0.0,72.0659980773926,0.0,26.442,0.0,0.0,1.6866,6.0,3.0,2.0,0.0,6.0,24.0,0.0,0.0,0.0,6.0,0.0,0.0,4.16666666666667,0.0,2.22222222222222,0.0,0.0,1.33333333333333
InChI%3D1S%2FC6H3Br3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,3.0,327.776995658875,0.0,51.2068,0.0,0.0,3.6797,10.0,5.0,4.0,20.23,10.0,48.0,1.0,1.0,0.0,10.0,1.0,0.0,8.1,1.0,2.93877551020408,1.0,0.0,1.75
InChI%3D1S%2FC13H10O%2Fc14-13%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H,0.0,172.141995429993,0.0,56.3165,2.0,0.133333333333333,2.9176,14.0,8.0,7.0,17.07,15.0,68.0,0.0,0.0,0.0,15.0,0.0,0.0,10.5155555555556,1.0,5.18559556786704,1.0,0.0,2.75
InChI%3D1S%2FC8H16O2%2Fc1-3-5-6-7-8%289%2910-4-2%2Fh3-7H2%2C1-2H3,0.0,128.085996627808,0.0,40.775,6.0,0.666666666666667,2.1298,10.0,8.0,7.0,26.3,9.0,36.0,0.0,0.0,0.0,9.0,0.0,0.0,10.0,2.0,7.11111111111111,2.0,4.0,7.0
InChI%3D1S%2FC8H18S%2Fc1-7%282%2C3%299-8%284%2C5%296%2Fh1-6H3,0.0,128.154998779297,0.0,47.097,2.0,0.25,3.3166,9.0,4.0,3.0,25.3,8.0,42.0,0.0,0.0,0.0,8.0,0.0,0.0,9.0,1.0,2.31952662721893,1.0,0.0,8.0
InChI%3D1S%2FC10H11NO4%2Fc1-14-9%2812%296-3-4-7%288%2811%295-6%2910%2813%2915-2%2Fh3-5H%2C11H2%2C1-2H3,0.0,198.112995147705,0.0,53.5334,4.0,0.266666666666667,0.842,15.0,9.0,8.0,78.62,15.0,70.0,1.0,0.0,0.0,15.0,0.0,0.0,13.0666666666667,5.0,5.915,5.0,0.0,3.2256
InChI%3D1S%2FC6H12O2%2Fc1-2-3-4-5-6%287%298%2Fh2-5H2%2C1H3%2C%28H%2C7%2C8%29,0.0,104.063997268677,0.0,29.8355,4.0,0.571428571428571,0.3166,8.0,6.0,5.0,40.13,7.0,28.0,0.0,1.0,0.0,7.0,0.0,0.0,8.0,1.0,5.14285714285714,2.0,4.0,7.2
InChI%3D1S%2FC6H14O%2Fc1-4-6%283%2C7%295-2%2Fh7H%2C4-5H2%2C1-3H3,0.0,88.0649976730347,0.0,31.2058,2.0,0.333333333333333,1.5574,7.0,4.0,3.0,20.23,6.0,28.0,1.0,1.0,0.0,6.0,0.0,1.0,7.0,1.0,2.34375,1.0,2.0,2.66666666666667
InChI%3D1S%2FC6H14O%2Fc1-2-3-4-5-6-7%2Fh7H%2C2-6H2%2C1H3,0.0,88.0649976730347,0.0,31.2278,4.0,0.666666666666667,1.559,7.0,6.0,5.0,20.23,6.0,22.0,1.0,1.0,0.0,6.0,0.0,1.0,7.0,1.0,6.0,1.0,4.0,6.0
InChI%3D1S%2FC4H8O2%2Fc1-3-6-4%282%295%2Fh3H2%2C1-2H3,0.0,80.0419979095459,0.0,22.307,2.0,0.4,0.5694,6.0,4.0,3.0,26.3,5.0,20.0,0.0,0.0,0.0,5.0,0.0,0.0,6.0,2.0,3.2,2.0,0.0,5.33333333333333
InChI%3D1S%2FC5H10O%2Fc1-4%282%295%283%296%2Fh4H%2C1-3H3,0.0,76.0539979934692,0.0,25.519,1.0,0.2,1.2314,6.0,3.0,2.0,17.07,5.0,22.0,0.0,0.0,0.0,5.0,0.0,0.0,6.0,1.0,2.22222222222222,1.0,2.0,3.0
InChI%3D1S%2FC10H14N2.H2O4S%2Fc1-12-7-3-5-10%2812%299-4-2-6-11-8-9%3B1-5%282%2C3%294%2Fh2%2C4%2C6%2C8%2C10H%2C3%2C5%2C7H2%2C1H3%3B%28H2%2C1%2C2%2C3%2C4%29,0.0,148.123996734619,2.0,47.5849,1.0,0.0769230769230769,2.0004,12.0,6.0,5.0,17.33,13.0,60.0,1.0,1.0,1.0,13.0,0.0,0.0,8.59171597633136,1.0,3.80622837370242,1.0,0.0,1.8595041322314
InChI%3D1S%2FC8H7NO4%2Fc1-13-8%2810%296-2-4-7%285-3-6%299%2811%2912%2Fh2-5H%2C1H3,0.0,174.090995788574,0.0,46.6035,3.0,0.230769230769231,1.9046,13.0,8.0,7.0,72.12,13.0,60.0,0.0,0.0,0.0,13.0,0.0,0.0,11.0769230769231,4.0,5.0242214532872,2.0,0.0,3.0
InChI%3D1S%2FC8H18O%2Fc1-3-5-6-8%284-2%297-9%2Fh8-9H%2C3-7H2%2C1-2H3,0.0,112.086997032166,0.0,40.3918,5.0,0.625,2.1951,9.0,6.0,5.0,20.23,8.0,32.0,1.0,1.0,0.0,8.0,0.0,1.0,9.0,1.0,6.125,1.0,6.0,4.5
InChI%3D1S%2FC12H24O%2Fc1-3-4-5-6-7-8-9-10-11-12%282%2913%2Fh3-11H2%2C1-2H3,0.0,160.130995750427,0.0,57.908,9.0,0.75,4.1062,13.0,11.0,10.0,17.07,12.0,48.0,0.0,0.0,0.0,12.0,0.0,0.0,13.0,1.0,10.0833333333333,1.0,9.0,12.0
InChI%3D1S%2FC11H16O%2Fc1-4-11%282%2C3%299-5-7-10%2812%298-6-9%2Fh5-8%2C12H%2C4H2%2C1-3H3,0.0,148.119996070862,0.0,51.4238,2.0,0.166666666666667,3.0798,12.0,7.0,6.0,20.23,12.0,58.0,1.0,1.0,0.0,12.0,1.0,0.0,10.0833333333333,1.0,3.80622837370242,1.0,1.0,2.49307479224377
InChI%3D1S%2FC9H9Cl%2Fc1-2-8-4-3-5-9%286-8%297-10%2Fh2-6H%2C1%2C7H2,1.0,143.551996231079,0.0,46.09,2.0,0.2,3.0684,10.0,6.0,5.0,0.0,10.0,44.0,0.0,0.0,0.0,10.0,0.0,0.0,8.1,0.0,4.0,0.0,0.0,2.28571428571429
InChI%3D1S%2FC7H3I2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H,2.0,367.890995979309,0.0,58.2558,0.0,0.0,2.47308,11.0,6.0,5.0,44.02,11.0,52.0,1.0,1.0,0.0,11.0,1.0,0.0,9.09090909090909,2.0,3.6,2.0,0.0,1.97530864197531
InChI%3D1S%2FC7H5F4N%2Fc8-6-2-1-4%2812%293-5%286%297%289%2C10%2911%2Fh1-3H%2C12H2,4.0,174.075994491577,0.0,35.8144,1.0,0.0833333333333333,2.4267,12.0,5.0,4.0,26.02,12.0,60.0,1.0,0.0,0.0,12.0,0.0,0.0,10.0833333333333,1.0,3.39506172839506,1.0,0.0,2.49307479224377
InChI%3D1S%2FC10H12N2O5%2Fc1-3-6%282%298-4-7%2811%2814%2915%295-9%2810%288%2913%2912%2816%2917%2Fh4-6%2C13H%2C3H2%2C1-2H3,0.0,228.11899471283,0.0,64.4568,4.0,0.235294117647059,3.7685,17.0,7.0,6.0,111.87,17.0,82.0,1.0,1.0,0.0,17.0,1.0,0.0,15.0588235294118,5.0,6.25,1.0,1.0,3.48444444444444
InChI%3D1S%2FC10H12N2.ClH%2Fc1-2-4-9%285-3-1%298-10-11-6-7-12-10%3B%2Fh1-5H%2C6-8H2%2C%28H%2C11%2C12%29%3B1H,0.0,148.123996734619,1.0,45.0881,2.0,0.153846153846154,0.9952,12.0,7.0,6.0,24.39,13.0,58.0,1.0,1.0,1.0,13.0,0.0,0.0,8.59171597633136,2.0,4.296875,2.0,0.0,2.49307479224377
InChI%3D1S%2FC2H8N2%2Fc3-1-2-4%2Fh1-4H2,0.0,52.0359992980957,0.0,19.7782,1.0,0.333333333333333,-2.5298,4.0,3.0,2.0,55.28,3.0,10.0,2.0,0.0,0.0,3.0,0.0,0.0,4.0,0.0,3.0,0.0,0.0,4.0
InChI%3D1S%2FC15H12Cl4O2%2Fc1-15%282%2C7-3-9%2816%2913%2820%2910%2817%294-7%298-5-11%2818%2914%2821%2912%2819%296-8%2Fh3-6%2C20-21H%2C1-2H3,4.0,353.974990844727,0.0,88.3816,2.0,0.0909090909090909,6.0373,21.0,10.0,9.0,40.46,22.0,112.0,2.0,2.0,0.0,22.0,2.0,0.0,17.3553719008264,2.0,6.24567474048443,2.0,0.0,3.34710743801653
InChI%3D1S%2FC4H3BrS%2Fc5-4-1-2-6-3-4%2Fh1-3H,1.0,160.014999389648,1.0,32.019,0.0,0.0,2.5106,6.0,3.0,2.0,28.24,6.0,26.0,0.0,0.0,0.0,6.0,0.0,0.0,4.16666666666667,0.0,1.63265306122449,1.0,0.0,0.979591836734694
InChI%3D1S%2FC8H6ClN%2Fc1-6-3-2-4-8%289%297%286%295-10%2Fh2-4H%2C1H3,1.0,145.547996520996,0.0,40.904,0.0,0.0,2.52008,10.0,5.0,4.0,23.79,10.0,46.0,0.0,0.0,0.0,10.0,0.0,0.0,8.1,1.0,3.40828402366864,1.0,0.0,1.75
InChI%3D1S%2FC2HCl3%2Fc3-1-2%284%295%2Fh1H,3.0,130.380996704102,0.0,25.642,0.0,0.0,2.5017,5.0,3.0,2.0,0.0,4.0,16.0,0.0,0.0,0.0,4.0,0.0,0.0,5.0,0.0,2.25,0.0,0.0,4.0
InChI%3D1S%2FC11H16N2O2%2Fc1-8-7-9%2815-11%2814%2912-2%295-6-10%288%2913%283%294%2Fh5-7H%2C1-4H3%2C%28H%2C12%2C14%29,0.0,192.132995605469,0.0,62.1218,3.0,0.2,1.9836,15.0,9.0,8.0,45.06,15.0,70.0,1.0,1.0,0.0,15.0,0.0,1.0,13.0666666666667,4.0,5.915,4.0,0.0,3.8109640831758
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%2C1-2H3,3.0,339.502995491028,1.0,77.658,6.0,0.333333333333333,5.3687,18.0,9.0,8.0,82.48,18.0,86.0,0.0,0.0,0.0,18.0,0.0,0.0,16.0555555555556,5.0,6.9632,5.0,0.0,4.56599286563615
InChI%3D1S%2FC9H11NO%2Fc1-2-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6H%2C2%2C10H2%2C1H3,0.0,138.104996681213,0.0,45.4759,2.0,0.181818181818182,1.8615,11.0,7.0,6.0,43.09,11.0,50.0,1.0,0.0,0.0,11.0,0.0,0.0,9.09090909090909,2.0,4.13265306122449,2.0,1.0,2.5
InChI%3D1S%2FC4H10O%2Fc1-4%282%293-5%2Fh4-5H%2C3H2%2C1-2H3,0.0,64.0429983139038,0.0,21.9238,1.0,0.25,0.6347,5.0,3.0,2.0,20.23,4.0,16.0,1.0,1.0,0.0,4.0,0.0,1.0,5.0,1.0,2.25,1.0,2.0,4.0
InChI%3D1S%2FC8H18S2%2Fc1-3-5-9-7-8-10-6-4-2%2Fh3-8H2%2C1-2H3,0.0,160.22200012207,0.0,55.232,7.0,0.777777777777778,3.2728,10.0,9.0,8.0,50.6,9.0,34.0,0.0,0.0,0.0,9.0,0.0,0.0,10.0,2.0,9.0,2.0,2.0,9.14285714285714
InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H,0.0,74.0619983673096,1.0,24.237,0.0,0.0,1.0816,6.0,3.0,2.0,12.89,6.0,24.0,0.0,0.0,0.0,6.0,0.0,0.0,4.16666666666667,1.0,2.22222222222222,1.0,0.0,1.33333333333333
InChI%3D1S%2FC5H13N%2Fc1-2-3-4-5-6%2Fh2-6H2%2C1H3,0.0,74.0619983673096,0.0,29.4141,3.0,0.6,0.4185,6.0,5.0,4.0,27.64,5.0,18.0,1.0,0.0,0.0,5.0,0.0,0.0,6.0,0.0,5.0,0.0,3.0,5.33333333333333
InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2,3.0,142.391996383667,0.0,31.081,2.0,0.4,2.0714,6.0,4.0,3.0,0.0,5.0,20.0,0.0,0.0,0.0,5.0,0.0,0.0,6.0,0.0,3.2,0.0,0.0,3.0
InChI%3D1S%2FC9H12O%2Fc1-2-3-8-4-6-9%2810%297-5-8%2Fh4-7%2C10H%2C2-3H2%2C1H3,0.0,124.097996711731,0.0,42.1018,2.0,0.2,2.3447,10.0,7.0,6.0,20.23,10.0,44.0,1.0,1.0,0.0,10.0,1.0,0.0,8.1,1.0,4.0,1.0,1.0,2.6508875739645
InChI%3D1S%2FC8H6BrNO5%2Fc1-15-8-6%2810%2813%2914%294%283-11%292-5%289%297%288%2912%2Fh2-3%2C12H%2C1H3,1.0,269.99399471283,0.0,56.5683,3.0,0.2,2.4072,15.0,6.0,5.0,92.35,15.0,72.0,1.0,1.0,0.0,15.0,1.0,0.0,13.0666666666667,5.0,5.36507936507936,3.0,0.0,2.57142857142857
InChI%3D1S%2FC7H3Cl2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H,2.0,184.988995552063,0.0,42.8418,0.0,0.0,2.57068,11.0,6.0,5.0,44.02,11.0,52.0,1.0,1.0,0.0,11.0,1.0,0.0,9.09090909090909,2.0,3.6,2.0,0.0,1.97530864197531
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%29,2.0,209.010994911194,0.0,56.4768,2.0,0.153846153846154,3.9914,13.0,8.0,7.0,32.59,13.0,60.0,1.0,1.0,0.0,13.0,0.0,1.0,11.0769230769231,2.0,5.0242214532872,2.0,1.0,3.32409972299169
InChI%3D1S%2FC7H16O%2Fc1-2-3-4-5-6-7-8%2Fh8H%2C2-7H2%2C1H3,0.0,100.0759973526,0.0,35.8448,5.0,0.714285714285714,1.9491,8.0,7.0,6.0,20.23,7.0,26.0,1.0,1.0,0.0,7.0,0.0,1.0,8.0,1.0,7.0,1.0,5.0,7.2
InChI%3D1S%2FC11H8O2%2Fc1-7-6-10%2812%298-4-2-3-5-9%288%2911%287%2913%2Fh2-6H%2C1H3,0.0,164.118995666504,0.0,48.86,0.0,0.0,2.0119,13.0,6.0,5.0,34.14,14.0,68.0,0.0,0.0,0.0,14.0,0.0,0.0,9.55102040816327,2.0,3.63,2.0,0.0,1.64609053497942
InChI%3D1S%2FC6H4Cl2%2Fc7-5-2-1-3-6%288%294-5%2Fh1-4H,2.0,142.971996307373,0.0,36.462,0.0,0.0,2.9934,8.0,4.0,3.0,0.0,8.0,36.0,0.0,0.0,0.0,8.0,0.0,0.0,6.125,0.0,2.52,0.0,0.0,1.8
InChI%3D1S%2FC11H25N%2Fc1-2-3-4-5-6-7-8-9-10-11-12%2Fh2-12H2%2C1H3,0.0,146.127996444702,0.0,57.1161,9.0,0.818181818181818,2.7591,12.0,11.0,10.0,27.64,11.0,42.0,1.0,0.0,0.0,11.0,0.0,0.0,12.0,0.0,11.0,0.0,9.0,11.1111111111111
InChI%3D1S%2FC7H4ClFO%2Fc8-6-2-1-3-7%289%295%286%294-10%2Fh1-4H,2.0,154.526995658875,0.0,36.7975,1.0,0.1,2.2916,10.0,5.0,4.0,17.07,10.0,46.0,0.0,0.0,0.0,10.0,0.0,0.0,8.1,1.0,3.40828402366864,1.0,0.0,1.75
InChI%3D1S%2FC11H18N2O3.Na%2Fc1-4-6-7%283%2911%285-2%298%2814%2912-10%2816%2913-9%2811%2915%3B%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29%3B%2Fq%3B%2B1%2Fp-1,0.0,208.131995201111,1.0,54.7597,4.0,0.25,1.6093,16.0,8.0,7.0,85.08,16.0,78.0,1.0,2.0,0.0,16.0,0.0,1.0,14.0625,4.0,5.55765595463138,5.0,7.0,2.48828125
InChI%3D1S%2FC12H10O%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10H,0.0,160.130995750427,0.0,52.958,2.0,0.142857142857143,3.4789,13.0,8.0,7.0,9.23,14.0,62.0,0.0,0.0,0.0,14.0,0.0,0.0,9.55102040816327,1.0,5.0242214532872,1.0,0.0,3.0
InChI%3D1S%2FC12H19NO%2Fc1-2-3-4-5-10-14-12-8-6-11%2813%297-9-12%2Fh6-9H%2C2-5%2C10%2C13H2%2C1H3,0.0,174.13799571991,0.0,60.4914,6.0,0.428571428571429,3.2279,14.0,11.0,10.0,35.25,14.0,60.0,1.0,0.0,0.0,14.0,0.0,0.0,12.0714285714286,2.0,7.3125,2.0,4.0,5.48096885813149
InChI%3D1S%2FC6H2Cl4O%2Fc7-2-1-3%288%296%2811%295%2810%294%282%299%2Fh1%2C11H,4.0,229.876994132996,0.0,48.1468,0.0,0.0,4.0058,11.0,5.0,4.0,20.23,11.0,54.0,1.0,1.0,0.0,11.0,1.0,0.0,9.09090909090909,1.0,3.1640625,1.0,0.0,1.6
InChI%3D1S%2FC7H12O4%2Fc1-3-10-6%288%295-7%289%2911-4-2%2Fh3-5H2%2C1-2H3,0.0,148.072996139526,0.0,37.883,6.0,0.6,0.5027,11.0,8.0,7.0,52.6,10.0,42.0,0.0,0.0,0.0,10.0,0.0,0.0,11.0,4.0,6.69421487603306,4.0,0.0,6.4
InChI%3D1S%2FC8H8N2O%2Fc1-5-3-6%282%2910-8%2811%297%285%294-9%2Fh3H%2C1-2H3%2C%28H%2C10%2C11%29,0.0,140.10099697113,1.0,40.0908,0.0,0.0,1.27568,11.0,6.0,5.0,56.91,11.0,52.0,1.0,1.0,0.0,11.0,1.0,0.0,9.09090909090909,3.0,3.6,3.0,0.0,1.97530864197531
InChI%3D1S%2FC11H18N2O3%2Fc1-4-11%286-5-7%282%293%298%2814%2912-10%2816%2913-9%2811%2915%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29,0.0,208.131995201111,1.0,56.702,4.0,0.25,1.7368,16.0,8.0,7.0,82.25,16.0,78.0,2.0,2.0,0.0,16.0,0.0,2.0,14.0625,5.0,5.55765595463138,5.0,7.0,3.02972651605232
InChI%3D1S%2FC9H19NO%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh9H%2C3-8H2%2C1-2H3,0.0,138.104996681213,0.0,47.453,7.0,0.7,2.045,11.0,8.0,7.0,20.31,10.0,40.0,0.0,0.0,0.0,10.0,0.0,0.0,11.0,2.0,8.1,2.0,4.0,6.4
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H,3.0,118.369997024536,0.0,21.347,0.0,0.0,1.9864,4.0,2.0,1.0,0.0,3.0,12.0,0.0,0.0,0.0,3.0,0.0,0.0,4.0,0.0,1.33333333333333,0.0,0.0,0.0
InChI%3D1S%2FC11H15NO2%2Fc1-3-12%284-2%2910-6-5-9%288-13%2911%2814%297-10%2Fh5-8%2C14H%2C3-4H2%2C1-2H3,0.0,178.125995635986,0.0,57.0553,4.0,0.285714285714286,2.0509,14.0,8.0,7.0,40.54,14.0,64.0,1.0,1.0,0.0,14.0,1.0,0.0,12.0714285714286,3.0,5.77777777777778,3.0,0.0,2.99432892249527
InChI%3D1S%2FC8H7N%2Fc1-7-4-2-3-5-8%287%296-9%2Fh2-5H%2C1H3,0.0,110.094997406006,0.0,35.894,0.0,0.0,1.86668,9.0,5.0,4.0,23.79,9.0,40.0,0.0,0.0,0.0,9.0,0.0,0.0,7.11111111111111,1.0,3.2396694214876,1.0,0.0,1.70414201183432
InChI%3D1S%2FC6H14S2%2Fc1-5%282%297-8-6%283%294%2Fh5-6H%2C1-4H3,0.0,136.200000762939,0.0,45.454,3.0,0.428571428571429,3.1846,8.0,5.0,4.0,50.6,7.0,30.0,0.0,0.0,0.0,7.0,0.0,0.0,8.0,2.0,3.9375,2.0,0.0,7.2
InChI%3D1S%2FC7H7NO%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H%2C%28H2%2C8%2C9%29,0.0,114.082997322083,0.0,35.8995,1.0,0.111111111111111,1.57,9.0,5.0,4.0,44.08,9.0,40.0,2.0,2.0,0.0,9.0,0.0,1.0,7.11111111111111,2.0,3.2396694214876,2.0,0.0,2.0
InChI%3D1S%2FC9H11NO2.CH4O3S%2Fc1-2-12-9%2811%297-4-3-5-8%2810%296-7%3B1-5%282%2C3%294%2Fh3-6H%2C2%2C10H2%2C1H3%3B1H3%2C%28H%2C2%2C3%2C4%29,0.0,154.103996276855,0.0,46.8109,3.0,0.25,1.4455,12.0,7.0,6.0,52.32,12.0,54.0,1.0,0.0,0.0,12.0,0.0,0.0,10.0833333333333,3.0,4.88888888888889,3.0,0.0,3.11418685121107
InChI%3D1S%2FC16H22O4%2Fc1-3-5-10-19-15%2817%2913-8-7-9-14%2812-13%2916%2818%2920-11-6-4-2%2Fh7-9%2C12H%2C3-6%2C10-11H2%2C1-2H3,0.0,256.171993255615,0.0,76.823,10.0,0.5,3.6004,20.0,14.0,13.0,52.6,20.0,88.0,0.0,0.0,0.0,20.0,0.0,0.0,18.05,4.0,10.6875,4.0,4.0,7.02551020408163
InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29,0.0,76.0579986572266,1.0,23.3247,0.0,0.0,0.7181,6.0,3.0,2.0,28.68,6.0,26.0,1.0,1.0,0.0,6.0,0.0,0.0,4.16666666666667,1.0,1.63265306122449,1.0,0.0,0.979591836734694
InChI%3D1S%2FC7H9N%2Fc1-2-7-5-3-4-6-8-7%2Fh3-6H%2C2H2%2C1H3,0.0,98.0839977264404,1.0,33.615,1.0,0.125,1.644,8.0,5.0,4.0,12.89,8.0,34.0,0.0,0.0,0.0,8.0,0.0,0.0,6.125,1.0,3.11111111111111,1.0,0.0,1.8
InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296,4.0,165.833995819092,0.0,30.438,0.0,0.0,3.0682,6.0,3.0,2.0,0.0,5.0,22.0,0.0,0.0,0.0,5.0,0.0,0.0,6.0,0.0,2.22222222222222,0.0,0.0,3.0
InChI%3D1S%2FC11H16%2Fc1-2-3-5-8-11-9-6-4-7-10-11%2Fh4%2C6-7%2C9-10H%2C2-3%2C5%2C8H2%2C1H3,0.0,132.12099647522,0.0,49.671,4.0,0.363636363636364,3.4193,11.0,8.0,7.0,0.0,11.0,46.0,0.0,0.0,0.0,11.0,0.0,0.0,9.09090909090909,0.0,5.625,0.0,3.0,3.78698224852071
InChI%3D1S%2FC7H8O%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5%2C8H%2C1H3,0.0,100.0759973526,0.0,32.8438,0.0,0.0,1.7006,8.0,4.0,3.0,20.23,8.0,36.0,1.0,1.0,0.0,8.0,1.0,0.0,6.125,1.0,2.52,1.0,0.0,1.48760330578512
InChI%3D1S%2FC13H11NO3%2Fc14-9-6-7-11%2812%2815%298-9%2913%2816%2917-10-4-2-1-3-5-10%2Fh1-8%2C15H%2C14H2,0.0,218.146994590759,0.0,63.9197,3.0,0.166666666666667,2.1936,17.0,10.0,9.0,72.55,18.0,84.0,2.0,1.0,0.0,18.0,1.0,0.0,13.4320987654321,4.0,6.25,4.0,0.0,3.72889417360285
InChI%3D1S%2FC8H18S2%2Fc1-3-9-7-5-6-8-10-4-2%2Fh3-8H2%2C1-2H3,0.0,160.22200012207,0.0,55.232,7.0,0.777777777777778,3.2728,10.0,9.0,8.0,50.6,9.0,34.0,0.0,0.0,0.0,9.0,0.0,0.0,10.0,2.0,9.0,2.0,0.0,9.14285714285714
InChI%3D1S%2FC6H10O3%2Fc1-5%282%296%288%299-4-3-7%2Fh7H%2C1%2C3-4H2%2C2H3,0.0,120.062996864319,0.0,32.8588,4.0,0.5,0.0979999999999999,9.0,6.0,5.0,46.53,8.0,34.0,1.0,1.0,0.0,8.0,0.0,1.0,9.0,3.0,4.83950617283951,3.0,0.0,4.5
InChI%3D1S%2FC7H4Br2O2%2Fc8-5-1-4%283-10%297%2811%296%289%292-5%2Fh1-3%2C11H,2.0,275.882995605469,0.0,48.8943,1.0,0.0909090909090909,2.7297,11.0,5.0,4.0,37.3,11.0,52.0,1.0,1.0,0.0,11.0,1.0,0.0,9.09090909090909,2.0,3.6,2.0,0.0,1.97530864197531
InChI%3D1S%2FC6H6BrN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,1.0,165.976997375488,0.0,38.5544,0.0,0.0,2.0313,8.0,5.0,4.0,26.02,8.0,36.0,1.0,0.0,0.0,8.0,0.0,0.0,6.125,1.0,2.52,1.0,0.0,1.8
InChI%3D1S%2FC2H2Cl4%2Fc3-1%284%292%285%296%2Fh1-2H,4.0,165.833995819092,0.0,30.988,1.0,0.2,2.5938,6.0,3.0,2.0,0.0,5.0,22.0,0.0,0.0,0.0,5.0,0.0,0.0,6.0,0.0,2.22222222222222,0.0,0.0,3.0
InChI%3D1S%2FC9H13N%2Fc1-8-4-6-9%287-5-8%2910%282%293%2Fh4-7H%2C1-3H3,0.0,122.105997085571,0.0,45.506,1.0,0.1,2.061,10.0,6.0,5.0,3.24,10.0,46.0,0.0,0.0,0.0,10.0,0.0,0.0,8.1,1.0,3.40828402366864,1.0,0.0,2.28571428571429
InChI%3D1S%2FC5H10N2O2S%2Fc1-4%2810-3%297-9-5%288%296-2%2Fh1-3H3%2C%28H%2C6%2C8%29,0.0,152.13399887085,0.0,43.6968,3.0,0.333333333333333,1.2432,10.0,7.0,6.0,79.48,9.0,38.0,1.0,1.0,0.0,9.0,0.0,1.0,10.0,5.0,5.76,5.0,0.0,5.53086419753086
InChI%3D1S%2FC8H5F3O%2Fc9-8%2810%2C11%297-3-1-2-6%284-7%295-12%2Fh1-5H,3.0,169.080994606018,0.0,36.8315,2.0,0.166666666666667,2.5179,12.0,6.0,5.0,17.07,12.0,58.0,0.0,0.0,0.0,12.0,0.0,0.0,10.0833333333333,1.0,3.80622837370242,1.0,0.0,2.77777777777778
InChI%3D1S%2FC6H5ClO%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C8H,1.0,123.517996788025,0.0,33.1168,0.0,0.0,2.0456,8.0,4.0,3.0,20.23,8.0,36.0,1.0,1.0,0.0,8.0,1.0,0.0,6.125,1.0,2.52,1.0,0.0,1.48760330578512
InChI%3D1S%2FC10H18%2Fc1-3-5-7-9-10-8-6-4-2%2Fh3-4H%2C1-2%2C5-10H2,0.0,120.109996795654,0.0,48.096,7.0,0.777777777777778,3.699,10.0,9.0,8.0,0.0,9.0,34.0,0.0,0.0,0.0,9.0,0.0,0.0,10.0,0.0,9.0,0.0,4.0,9.14285714285714
InChI%3D1S%2FC9H14O2%2Fc1-2-9%2810%2911-8-6-4-3-5-7-8%2Fh2%2C8H%2C1%2C3-7H2,0.0,140.096996307373,0.0,43.162,3.0,0.272727272727273,2.0483,11.0,7.0,6.0,26.3,11.0,48.0,0.0,0.0,0.0,11.0,0.0,0.0,9.09090909090909,2.0,4.79289940828402,2.0,3.0,3.26530612244898
InChI%3D1S%2FC17H18O2%2Fc1-17%282%2C3%2914-7-9-15%2810-8-14%2919-16-6-4-5-13%2811-16%2912-18%2Fh4-12H%2C1-3H3,0.0,236.184993743896,0.0,77.0455,4.0,0.2,4.5889,19.0,11.0,10.0,26.3,20.0,96.0,0.0,0.0,0.0,20.0,0.0,0.0,15.39,2.0,6.63520408163265,2.0,0.0,4.5
InChI%3D1S%2FC6H12O2%2Fc1-3-4-5-8-6%282%297%2Fh3-5H2%2C1-2H3,0.0,104.063997268677,0.0,31.541,4.0,0.571428571428571,1.3496,8.0,6.0,5.0,26.3,7.0,28.0,0.0,0.0,0.0,7.0,0.0,0.0,8.0,2.0,5.14285714285714,2.0,2.0,7.2
InChI%3D1S%2FC6H5ClO2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3%2C8-9H,1.0,139.516996383667,0.0,34.7816,0.0,0.0,1.7512,9.0,5.0,4.0,40.46,9.0,42.0,2.0,2.0,0.0,9.0,2.0,0.0,7.11111111111111,2.0,2.72222222222222,2.0,0.0,1.70414201183432
InChI%3D1S%2FC7H9N%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H%2C6%2C8H2,0.0,98.0839977264404,0.0,35.1681,1.0,0.125,0.4285,8.0,5.0,4.0,27.64,8.0,34.0,1.0,0.0,0.0,8.0,0.0,0.0,6.125,0.0,3.11111111111111,0.0,0.0,1.8
InChI%3D1S%2FC7H16O%2Fc1-5%282%297%288%296%283%294%2Fh5-8H%2C1-4H3,0.0,100.0759973526,0.0,35.6828,2.0,0.285714285714286,1.6593,8.0,4.0,3.0,20.23,7.0,32.0,1.0,1.0,0.0,7.0,0.0,1.0,8.0,1.0,3.11111111111111,1.0,4.0,2.8125
InChI%3D1S%2FC3H10N2%2Fc1-3%285%292-4%2Fh3H%2C2%2C4-5H2%2C1H3,0.0,64.0469989776611,0.0,24.3732,1.0,0.25,-2.1413,5.0,3.0,2.0,55.28,4.0,16.0,2.0,0.0,0.0,4.0,0.0,0.0,5.0,0.0,2.25,0.0,0.0,4.0
InChI%3D1S%2FC8H12N2O2S%2Fc1-3-9-6%2811%295-7%2812%2910%284-2%298%289%2913%2Fh3-5H2%2C1-2H3,0.0,188.166997909546,1.0,47.5494,2.0,0.153846153846154,0.2478,13.0,6.0,5.0,72.71,13.0,62.0,0.0,0.0,0.0,13.0,0.0,0.0,11.0769230769231,5.0,4.48148148148148,5.0,0.0,2.08333333333333
InChI%3D1S%2FC7H4Cl2O%2Fc8-6-2-1-5%284-10%297%289%293-6%2Fh1-4H,2.0,170.981995582581,0.0,41.8495,1.0,0.1,2.8059,10.0,6.0,5.0,17.07,10.0,46.0,0.0,0.0,0.0,10.0,0.0,0.0,8.1,1.0,3.40828402366864,1.0,0.0,1.99111111111111
InChI%3D1S%2FC8H11NO%2Fc10-6-2-4-8-3-1-5-9-7-8%2Fh1%2C3%2C5%2C7%2C10H%2C2%2C4%2C6H2,0.0,126.093997001648,1.0,39.6438,3.0,0.3,1.0065,10.0,7.0,6.0,33.12,10.0,42.0,1.0,1.0,0.0,10.0,0.0,1.0,8.1,2.0,4.7603305785124,2.0,0.0,3.11111111111111
InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2,2.0,82.9169979095459,0.0,16.573,0.0,0.0,1.4215,3.0,2.0,1.0,0.0,2.0,6.0,0.0,0.0,0.0,2.0,0.0,0.0,3.0,0.0,2.0,0.0,0.0,0.0
InChI%3D1S%2FC6H14S2%2Fc1-3-7-5-6-8-4-2%2Fh3-6H2%2C1-2H3,0.0,136.200000762939,0.0,45.998,5.0,0.714285714285714,2.4926,8.0,7.0,6.0,50.6,7.0,26.0,0.0,0.0,0.0,7.0,0.0,0.0,8.0,2.0,7.0,2.0,0.0,7.2
InChI%3D1S%2FC6H15NO%2Fc1-3-7%284-2%295-6-8%2Fh8H%2C3-6H2%2C1-2H3,0.0,102.071997642517,0.0,36.1315,4.0,0.571428571428571,-1.0966,8.0,5.0,4.0,24.67,7.0,28.0,2.0,2.0,1.0,7.0,0.0,1.0,8.0,1.0,5.14285714285714,1.0,0.0,3.6734693877551
InChI%3D1S%2FC6H4FNO2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H,1.0,137.068996429443,0.0,35.222,1.0,0.1,2.2571,10.0,6.0,5.0,45.82,10.0,46.0,0.0,0.0,0.0,10.0,0.0,0.0,8.1,2.0,3.40828402366864,0.0,0.0,2.28571428571429
InChI%3D1S%2FC6H12O%2Fc1-5%287%296%282%2C3%294%2Fh1-4H3,0.0,88.0649976730347,0.0,30.136,1.0,0.166666666666667,1.6215,7.0,3.0,2.0,17.07,6.0,30.0,0.0,0.0,0.0,6.0,0.0,0.0,7.0,1.0,1.85185185185185,1.0,3.0,2.66666666666667
InChI%3D1S%2FC11H14O4%2Fc1-7%2812%298-5-6-9%2813-2%2911%2815-4%2910%288%2914-3%2Fh5-6H%2C1-4H3,0.0,196.116994857788,0.0,56.1025,4.0,0.266666666666667,1.915,15.0,7.0,6.0,44.76,15.0,70.0,0.0,0.0,0.0,15.0,0.0,0.0,13.0666666666667,4.0,5.915,4.0,0.0,2.76543209876543
InChI%3D1S%2FC13H26O%2Fc1-3-4-5-6-7-8-9-10-11-12-13%282%2914%2Fh3-12H2%2C1-2H3,0.0,172.141995429993,0.0,62.525,10.0,0.769230769230769,4.4963,14.0,12.0,11.0,17.07,13.0,52.0,0.0,0.0,0.0,13.0,0.0,0.0,14.0,1.0,11.0769230769231,1.0,10.0,13.0909090909091
InChI%3D1S%2FC6H14%2Fc1-3-5-6-4-2%2Fh3-6H2%2C1-2H3,0.0,72.0659980773926,0.0,29.816,3.0,0.6,2.5866,6.0,5.0,4.0,0.0,5.0,18.0,0.0,0.0,0.0,5.0,0.0,0.0,6.0,0.0,5.0,0.0,6.0,5.33333333333333
InChI%3D1S%2FC7H4Cl4%2Fc8-4-2-1-3-5%289%296%284%297%2810%2911%2Fh1-3%2C7H,4.0,225.888994216919,0.0,50.909,1.0,0.0909090909090909,4.4696,11.0,5.0,4.0,0.0,11.0,52.0,0.0,0.0,0.0,11.0,0.0,0.0,9.09090909090909,0.0,3.6,0.0,0.0,1.97530864197531
InChI%3D1S%2FC7H13N3O3S%2Fc1-8-7%2812%2913-9-5%2814-4%296%2811%2910%282%293%2Fh1-4H3%2C%28H%2C8%2C12%29,0.0,206.161997795105,0.0,56.7168,5.0,0.384615384615385,0.3115,14.0,8.0,7.0,99.79,13.0,58.0,1.0,1.0,0.0,13.0,0.0,1.0,14.0,7.0,7.3125,7.0,0.0,5.48096885813149
InChI%3D1S%2FC12H8BrNO%2Fc13-11-5-3-9%284-6-11%2912%2815%2910-2-1-7-14-8-10%2Fh1-8H,1.0,254.041995048523,1.0,61.8115,2.0,0.125,3.0751,15.0,9.0,8.0,29.96,16.0,74.0,0.0,0.0,0.0,16.0,0.0,0.0,11.484375,2.0,5.36507936507936,2.0,0.0,2.98224852071006
InChI%3D1S%2FC10H16O%2Fc1-9%282%297-4-5-10%289%2C3%298%2811%296-7%2Fh7H%2C4-6H2%2C1-3H3,0.0,136.108996391296,0.0,44.236,0.0,0.0,2.4017,11.0,4.0,3.0,17.07,12.0,66.0,0.0,0.0,0.0,12.0,0.0,0.0,7.63888888888889,1.0,1.83673469387755,1.0,7.0,0.665972944849116
InChI%3D1S%2FC6H7N%2Fc7-6-4-2-1-3-5-6%2Fh1-5H%2C7H2,0.0,86.072998046875,0.0,30.8544,0.0,0.0,1.2688,7.0,4.0,3.0,26.02,7.0,30.0,1.0,0.0,0.0,7.0,0.0,0.0,5.14285714285714,1.0,2.34375,1.0,0.0,1.5