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

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