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

SMILES,RotatableBonds,ZagrebIndex1,FractionRotatableBonds,NumberOfBonds,HeteroCycles,MolecularWeight,PolarSurfaceArea,KierShape1,MolarRefractivity,HBD1,KierShape2,KierShape3,GraphShapeCoefficient,NumberOfAtoms,HeavyBonds,AromaticBonds,HBA1,AcidicGroups,HBA2,LogP
InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H,0.0,50.0,0.0,11.0,0.0,120.109996795654,0.0,6.69421487603306,43.948,0.0,2.93877551020408,1.38271604938272,4.0,10.0,11.0,11.0,0.0,0.0,0.0,2.8398
InChI%3D1S%2FC9H7N3O4S%2Fc1-5%2813%2910-9-11-6%284-17-9%297-2-3-8%2816-7%2912%2814%2915%2Fh2-4H%2C1H3%2C%28H%2C10%2C11%2C13%29,3.0,86.0,0.166666666666667,18.0,2.0,246.182996749878,132.68,13.4320987654321,64.0358,1.0,5.76,3.48444444444444,9.0,17.0,18.0,10.0,5.0,0.0,5.0,3.4424
InChI%3D1S%2FC11H13N5O4%2Fc1-15%282%297-12-11-14-13-9%2820-11%295-3-8-4-6-10%2819-8%2916%2817%2918%2Fh3-6H%2C7H2%2C1-2H3%2C%28H%2C12%2C14%29,5.0,98.0,0.238095238095238,21.0,2.0,266.1519947052,117.58,16.3718820861678,72.6864,2.0,7.85204081632653,5.37890625,12.0,20.0,21.0,10.0,4.0,0.0,4.0,0.2002
InChI%3D1S%2FC12H5Cl5%2Fc13-8-3-1-2-6%2810%288%2915%297-4-5-9%2814%2912%2817%2911%287%2916%2Fh1-5H,1.0,88.0,0.0555555555555556,18.0,0.0,321.396991729736,0.0,13.4320987654321,76.928,0.0,5.32544378698225,2.56,7.0,17.0,18.0,12.0,0.0,0.0,0.0,6.6206
InChI%3D1S%2FC3H6O2%2Fc4-1-3-2-5-3%2Fh3-4H%2C1-2H2,1.0,22.0,0.2,5.0,1.0,68.0309982299805,32.76,3.2,16.8258,1.0,1.0,0.326530612244898,2.0,5.0,5.0,0.0,2.0,0.0,2.0,-0.6225
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%29,2.0,88.0,0.111111111111111,18.0,1.0,220.142994880676,82.25,13.4320987654321,58.317,2.0,5.32544378698225,2.29072315558802,7.0,17.0,18.0,6.0,5.0,0.0,5.0,1.2522
InChI%3D1S%2FC9H8N4O5%2Fc1-5%2814%2910-4-7-11-9%2812-18-7%296-2-3-8%2817-6%2913%2815%2916%2Fh2-3H%2C4H2%2C1H3%2C%28H%2C10%2C14%29,4.0,90.0,0.210526315789474,19.0,2.0,244.121994972229,130.47,14.409972299169,60.2638,1.0,6.43786982248521,3.99583766909469,10.0,18.0,19.0,10.0,6.0,0.0,6.0,2.2374
InChI%3D1S%2FC8H12N2O3%2Fc1-3-8%284-2%295%2811%299-7%2813%2910-6%288%2912%2Fh3-4H2%2C1-2H3%2C%28H2%2C9%2C10%2C11%2C12%2C13%29,2.0,64.0,0.153846153846154,13.0,1.0,172.098996162415,82.25,11.0769230769231,42.921,2.0,4.02216066481994,1.77514792899408,5.0,13.0,13.0,0.0,5.0,0.0,5.0,0.7106
InChI%3D1S%2FC4H9N3O%2Fc8-6-7-3-1-5-2-4-7%2Fh5H%2C1-4H2,1.0,34.0,0.125,8.0,1.0,106.063998222351,49.28,6.125,26.4268,1.0,3.11111111111111,1.8,4.0,8.0,8.0,0.0,3.0,0.0,3.0,0.0539
InChI%3D1S%2FC6H7ClN2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3H%2C8-9H2,0.0,42.0,0.0,9.0,0.0,135.532997131348,52.04,7.11111111111111,40.2768,2.0,2.72222222222222,1.70414201183432,4.0,9.0,9.0,6.0,2.0,0.0,2.0,1.5044
InChI%3D1S%2FC9H12N2O%2Fc1-11%2810-12%298-7-9-5-3-2-4-6-9%2Fh2-6H%2C7-8H2%2C1H3,4.0,52.0,0.333333333333333,12.0,0.0,152.111996650696,32.67,10.0833333333333,48.571,0.0,5.61224489795918,4.0,7.0,12.0,12.0,6.0,3.0,0.0,3.0,1.8423
InChI%3D1S%2FC10H9Cl4NO2S%2Fc11-9%2812%2910%2813%2C14%2918-15-7%2816%295-3-1-2-4-6%285%298%2815%2917%2Fh1-2%2C5-6%2C9H%2C3-4H2,3.0,96.0,0.157894736842105,19.0,1.0,339.993993759155,62.68,14.409972299169,72.5092,0.0,5.17479191438763,2.65927977839335,7.0,18.0,19.0,0.0,4.0,0.0,4.0,3.4588
InChI%3D1S%2FC14H12N4O2%2Fc15-5-1-2-6%2816%2910-9%285%2913%2819%2911-7%2817%293-4-8%2818%2912%2811%2914%2810%2920%2Fh1-4H%2C15-18H2,0.0,112.0,0.0,22.0,0.0,256.17999458313,138.22,14.9173553719008,77.3986,4.0,5.32525951557093,2.2032,6.0,20.0,22.0,12.0,6.0,0.0,6.0,0.790800000000001
InChI%3D1S%2FC6H11IO3%2Fc1-4%287%296-9-3-5%282-8%2910-6%2Fh4-6%2C8H%2C2-3H2%2C1H3,2.0,46.0,0.2,10.0,1.0,246.966996192932,38.69,8.1,45.1808,1.0,3.40828402366864,1.99111111111111,5.0,10.0,10.0,0.0,3.0,0.0,3.0,0.5437
InChI%3D1S%2FC15H13NO2%2Fc1-10%2817%2916%2818%2913-6-7-15-12%289-13%298-11-4-2-3-5-14%2811%2915%2Fh2-7%2C9%2C18H%2C8H2%2C1H3,2.0,98.0,0.1,20.0,0.0,226.169994354248,43.37,13.005,71.211,0.0,5.17479191438763,2.4,8.0,18.0,20.0,12.0,2.0,1.0,3.0,3.1085
InChI%3D1S%2FC24H38O4%2Fc1-5-9-13-19%287-3%2917-27-23%2825%2921-15-11-12-16-22%2821%2924%2826%2928-18-20%288-4%2914-10-6-2%2Fh11-12%2C15-16%2C19-20H%2C5-10%2C13-14%2C17-18H2%2C1-4H3,16.0,124.0,0.571428571428571,28.0,0.0,352.259990692139,52.6,26.0357142857143,113.619,0.0,15.7889273356401,10.0535395597858,16.0,28.0,28.0,6.0,4.0,0.0,4.0,6.43300000000001
InChI%3D1S%2FC9H10N4S%2Fc10-7-3-1-6%282-4-7%298-5-14-9%2812-8%2913-11%2Fh1-5H%2C10-11H2%2C%28H%2C12%2C13%29,2.0,70.0,0.133333333333333,15.0,1.0,196.193998336792,105.2,10.5155555555556,59.7725,3.0,4.68,2.5344,8.0,14.0,15.0,11.0,4.0,0.0,5.0,1.6779
InChI%3D1S%2FC17H19N3O3S%2Fc1-10-8-18-15%2811%282%2916%2810%2923-4%299-24%2821%2917-19-13-6-5-12%2822-3%297-14%2813%2920-17%2Fh5-8H%2C9H2%2C1-4H3%2C%28H%2C19%2C20%29,5.0,126.0,0.192307692307692,26.0,2.0,326.271994590759,96.31,18.7810650887574,93.1562,1.0,8.13148283418554,4.0656,12.0,24.0,26.0,16.0,5.0,0.0,5.0,3.7654
InChI%3D1S%2FCH2ClF%2Fc2-1-3%2Fh1H2,0.0,6.0,0.0,2.0,0.0,66.4619979858398,0.0,3.0,11.828,0.0,2.0,0.0,1.0,3.0,2.0,0.0,0.0,0.0,0.0,1.1522
InChI%3D1S%2FC20H24O2%2Fc1-3-20%2822%2911-9-18-17-6-4-13-12-14%2821%295-7-15%2813%2916%2817%298-10-19%2818%2C20%292%2Fh1%2C5%2C7%2C12%2C16-18%2C21-22H%2C4%2C6%2C8-11H2%2C2H3,0.0,130.0,0.0,25.0,0.0,272.217992782593,40.46,15.5232,86.5066,2.0,5.25,2.11111111111111,10.0,22.0,25.0,6.0,2.0,0.0,2.0,3.6126
InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298,1.0,38.0,0.142857142857143,7.0,0.0,236.739994049072,0.0,8.0,40.58,0.0,1.75,2.22222222222222,2.0,8.0,7.0,0.0,0.0,0.0,0.0,3.7268
InChI%3D1S%2FC5H10N2O3%2Fc1-7%286-10%294-2-3-5%288%299%2Fh2-4H2%2C1H3%2C%28H%2C8%2C9%29,5.0,38.0,0.555555555555556,9.0,0.0,136.065997123718,72.8,10.0,33.3525,0.0,5.76,7.0,6.0,10.0,9.0,0.0,4.0,1.0,5.0,-0.8703
InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H,0.0,36.0,0.0,8.0,0.0,104.063997268677,40.46,6.125,29.7716,2.0,2.52,1.48760330578512,3.0,8.0,8.0,6.0,2.0,0.0,2.0,1.0978
InChI%3D1S%2FC20H31NO6%2Fc1-6-13%284%2918%2823%2927-16-8-10-21-9-7-15%2817%2816%2921%2911-26-19%2824%2920%2825%2C12%282%293%2914%285%2922%2Fh6-7%2C12%2C14%2C16-17%2C22%2C25H%2C8-11H2%2C1-5H3,9.0,138.0,0.321428571428571,28.0,2.0,350.220991134644,97.5,23.280612244898,98.5425,3.0,9.66686496133254,4.95074380165289,12.0,27.0,28.0,0.0,6.0,0.0,6.0,1.3419
InChI%3D1S%2FC17H15NO2%2Fc1-11%2819%2918%2812%282%2920%2917-9-5-8-15-14-7-4-3-6-13%2814%2910-16%2815%2917%2Fh3-9H%2C10H2%2C1-2H3,3.0,108.0,0.136363636363636,22.0,0.0,250.191993713379,37.38,14.9173553719008,78.525,0.0,6.01171875,2.72,7.0,20.0,22.0,12.0,3.0,0.0,3.0,3.1572
InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H,1.0,64.0,0.0714285714285714,14.0,0.0,160.130995750427,20.23,9.55102040816327,53.5428,1.0,4.48148148148148,2.26843100189036,6.0,13.0,14.0,12.0,1.0,0.0,1.0,3.0592
InChI%3D1S%2FC6H6ClN%2Fc7-4-6-2-1-3-8-5-6%2Fh1-3%2C5H%2C4H2,1.0,34.0,0.125,8.0,1.0,121.525997161865,12.89,6.125,33.794,0.0,3.11111111111111,1.8,4.0,8.0,8.0,6.0,1.0,0.0,1.0,1.8204
InChI%3D1S%2FC10H13N5O3S%2Fc11-10-13-8-7%289%2819%2914-10%2912-3-15%288%296-1-4%2817%295%282-16%2918-6%2Fh3-6%2C16-17H%2C1-2H2%2C%28H3%2C11%2C13%2C14%2C19%29,2.0,104.0,0.0952380952380952,21.0,3.0,270.208996772766,158.84,13.9591836734694,66.605,5.0,5.41311134235172,2.49215792320173,8.0,19.0,21.0,10.0,7.0,0.0,8.0,-0.8317
InChI%3D1S%2FC3H4N2O3%2Fc6-3-5%284-7%291-2-8-3%2Fh1-2H2,1.0,36.0,0.125,8.0,1.0,112.043997764587,58.97,6.125,21.6292,0.0,2.52,1.25,3.0,8.0,8.0,0.0,5.0,0.0,5.0,0.0579
InChI%3D1S%2FC2H5NS%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29,0.0,12.0,0.0,3.0,0.0,70.0960006713867,62.65,4.0,22.3867,2.0,1.33333333333333,0.0,1.0,4.0,3.0,0.0,2.0,0.0,2.0,0.9134
InChI%3D1S%2FC14H15N3%2Fc1-10-5-3-4-6-14%2810%2917-16-12-7-8-13%2815%2911%282%299-12%2Fh3-9H%2C15H2%2C1-2H3,2.0,84.0,0.111111111111111,18.0,0.0,210.174995422363,50.74,13.4320987654321,70.9464,1.0,6.25,3.72889417360285,9.0,17.0,18.0,12.0,3.0,0.0,3.0,4.301
InChI%3D1S%2FC8H16N2O3%2Fc1-3-5-6-7-10%289-12%298%2811%2913-4-2%2Fh3-7H2%2C1-2H3,8.0,50.0,0.666666666666667,12.0,0.0,172.098996162415,58.97,13.0,49.048,0.0,8.59171597633136,6.12244897959184,8.0,13.0,12.0,0.0,5.0,0.0,5.0,2.3165
InChI%3D1S%2FC6H7N3O%2Fc1-9%288-10%296-4-2-3-5-7-6%2Fh2-5H%2C1H3,2.0,44.0,0.2,10.0,1.0,130.085997581482,45.56,8.1,38.435,0.0,4.0,2.28571428571429,5.0,10.0,10.0,6.0,4.0,0.0,4.0,1.1992
InChI%3D1S%2FC17H14O6%2Fc1-20-10-6-11-14%288-4-5-21-17%288%2922-11%2915-13%2810%297-2-3-9%2818%2912%287%2916%2819%2923-15%2Fh4-6%2C8-9%2C17-18H%2C2-3H2%2C1H3,1.0,138.0,0.037037037037037,27.0,3.0,300.180992126465,78.13,15.2702331961591,79.6988,1.0,5.5,2.08284023668639,8.0,23.0,27.0,11.0,5.0,0.0,6.0,2.1272
InChI%3D1S%2FC6H6O2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4%2C7-8H,0.0,36.0,0.0,8.0,0.0,104.063997268677,40.46,6.125,29.7716,2.0,2.52,1.8,4.0,8.0,8.0,6.0,2.0,0.0,2.0,1.0978
InChI%3D1S%2FC12H14N4%2Fc13-9-3-1-7%285-11%289%2915%298-2-4-10%2814%2912%2816%296-8%2Fh1-6H%2C13-16H2,1.0,82.0,0.0588235294117647,17.0,0.0,200.159996032715,104.08,12.4567474048443,69.5276,4.0,5.10416666666667,2.83111111111111,8.0,16.0,17.0,12.0,4.0,0.0,4.0,1.6824
InChI%3D1S%2FC2H5NO2%2Fc1-5-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29,1.0,16.0,0.25,4.0,0.0,70.0269985198975,53.31,5.0,17.3645,2.0,2.25,4.0,2.0,5.0,4.0,0.0,3.0,0.0,3.0,0.1256
InChI%3D1S%2FC5H10N2O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H2,1.0,34.0,0.125,8.0,1.0,104.067997932434,32.67,6.125,28.9992,0.0,3.11111111111111,1.8,4.0,8.0,8.0,0.0,3.0,0.0,3.0,1.0916
InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-5-11%286-3-9%2914%2812%2910-4-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29,5.0,64.0,0.357142857142857,14.0,1.0,245.968996047974,51.38,12.0714285714286,56.6374,1.0,5.77777777777778,3.27272727272727,6.0,14.0,14.0,0.0,4.0,0.0,4.0,2.2128
InChI%3D1S%2FC3H5N3O4%2Fc4-3%289%296%285-10%291-2%287%298%2Fh1H2%2C%28H2%2C4%2C9%29%28H%2C7%2C8%29,4.0,40.0,0.444444444444444,9.0,0.0,142.049997329712,116.88,10.0,28.55,2.0,4.7603305785124,4.48,4.0,10.0,9.0,0.0,6.0,1.0,7.0,-1.7875
InChI%3D1S%2FC14H8O3%2Fc15-11-7-3-6-10-12%2811%2914%2817%299-5-2-1-4-8%289%2913%2810%2916%2Fh1-7%2C15H,0.0,94.0,0.0,19.0,0.0,216.150994300842,54.37,12.0554016620499,61.4138,1.0,4.59183673469388,1.86555621653778,6.0,17.0,19.0,12.0,3.0,0.0,3.0,2.1676
InChI%3D1S%2FC5H6O2%2Fc6-4-5-2-1-3-7-5%2Fh1-3%2C6H%2C4H2,1.0,30.0,0.142857142857143,7.0,1.0,92.0529975891113,33.37,5.14285714285714,24.6308,1.0,2.34375,1.18518518518519,3.0,7.0,7.0,5.0,1.0,0.0,2.0,0.7719
InChI%3D1S%2FC2H5N3O2%2Fc1-5%284-7%292%283%296%2Fh1H3%2C%28H2%2C3%2C6%29,2.0,26.0,0.333333333333333,6.0,0.0,98.0409984588623,76.75,7.0,23.9135,2.0,3.06122448979592,2.66666666666667,3.0,7.0,6.0,0.0,5.0,0.0,5.0,0.0924
InChI%3D1S%2FC9H18N3OP%2Fc1-7-4-10%287%2914%2813%2C11-5-8%2811%292%2912-6-9%2812%293%2Fh7-9H%2C4-6H2%2C1-3H3,3.0,86.0,0.1875,16.0,3.0,197.092997550964,35.91,9.2421875,49.4511,0.0,2.5679012345679,0.897959183673469,5.0,14.0,16.0,0.0,4.0,0.0,4.0,1.0205
InChI%3D1S%2FC14H16N2O2%2Fc1-17-13-7-9%283-5-11%2813%2915%2910-4-6-12%2816%2914%288-10%2918-2%2Fh3-8H%2C15-16H2%2C1-2H3,3.0,90.0,0.157894736842105,19.0,0.0,228.165994644165,70.5,14.409972299169,73.8068,2.0,6.43786982248521,3.32179930795848,8.0,18.0,19.0,12.0,4.0,0.0,4.0,2.5352
InChI%3D1S%2FC5H12O%2Fc1-5%282%2C3%296-4%2Fh1-4H3,1.0,24.0,0.2,5.0,0.0,76.0539979934692,9.23,6.0,26.762,0.0,1.63265306122449,5.33333333333333,2.0,6.0,5.0,0.0,1.0,0.0,1.0,1.4313
InChI%3D1S%2FC4H8%2Fc1-4%282%293%2Fh1H2%2C2-3H3,0.0,12.0,0.0,3.0,0.0,48.0439987182617,0.0,4.0,20.488,0.0,1.33333333333333,0.0,1.0,4.0,3.0,0.0,0.0,0.0,0.0,1.5824
InChI%3D1S%2FC24H26FNO4%2Fc1-15%282%2926-21-6-4-3-5-20%2821%2924%2816-7-9-17%2825%2910-8-16%2922%2826%2912-11-18%2827%2913-19%2828%2914-23%2829%2930%2Fh3-12%2C15%2C18-19%2C27-28H%2C13-14H2%2C1-2H3%2C%28H%2C29%2C30%29,8.0,154.0,0.25,32.0,1.0,385.264989852905,85.52,24.638671875,113.6921,2.0,11.2276543209877,6.29250891795482,13.0,30.0,32.0,16.0,3.0,1.0,5.0,3.2934
InChI%3D1S%2FC5H11N3O3%2Fc1-2-8%287-11%295%2810%296-3-4-9%2Fh9H%2C2-4H2%2C1H3%2C%28H%2C6%2C10%29,5.0,42.0,0.5,10.0,0.0,150.072997093201,85.49,11.0,40.1916,2.0,6.69421487603306,4.44444444444444,6.0,11.0,10.0,0.0,6.0,0.0,6.0,-0.104
InChI%3D1S%2FC11H14O2%2Fc1-4-5-9-6-7-10%2812-2%2911%288-9%2913-3%2Fh4%2C6-8H%2C1%2C5H2%2C2-3H3,4.0,58.0,0.307692307692308,13.0,0.0,164.118995666504,18.46,11.0769230769231,53.447,0.0,5.671875,3.0,7.0,13.0,13.0,6.0,2.0,0.0,2.0,2.4323
InChI%3D1S%2FC16H9NO2%2Fc18-17%2819%2914-9-7-12-5-4-10-2-1-3-11-6-8-13%2814%2916%2812%2915%2810%2911%2Fh1-9H,1.0,110.0,0.0454545454545455,22.0,0.0,238.180994033813,45.82,12.7190082644628,78.968,0.0,4.77685950413223,1.9192003331945,7.0,19.0,22.0,19.0,2.0,0.0,0.0,5.0154
InChI%3D1S%2FC18H12O6%2Fc1-21-11-7-12-13%288-5-6-22-18%288%2924-12%2917-15%2811%2916%2820%2914-9%2819%293-2-4-10%2814%2923-17%2Fh2-8%2C18-19H%2C1H3,1.0,142.0,0.0357142857142857,28.0,3.0,312.19199180603,78.13,16.1938775510204,85.5888,1.0,6.02055164954029,2.33333333333333,8.0,24.0,28.0,16.0,5.0,0.0,6.0,3.0064
InChI%3D1S%2FC5H10N4O2%2Fc10-6-8-2-1-3-9%287-11%295-4-8%2Fh1-5H2,2.0,48.0,0.181818181818182,11.0,1.0,148.080997467041,65.34,9.09090909090909,34.9134,0.0,4.79289940828402,2.84444444444444,6.0,11.0,11.0,0.0,6.0,0.0,6.0,0.2327
InChI%3D1S%2FC11H14N2O4%2Fc12-10%2814%2916-6-9%287-17-11%2813%2915%298-4-2-1-3-5-8%2Fh1-5%2C9H%2C6-7H2%2C%28H2%2C12%2C14%29%28H2%2C13%2C15%29,7.0,76.0,0.411764705882353,17.0,0.0,224.130994796753,106.62,15.0588235294118,61.798,4.0,8.16326530612245,6.47933884297521,7.0,17.0,17.0,6.0,6.0,0.0,6.0,1.789
InChI%3D1S%2FC12H7Cl2NO3%2Fc13-8-1-6-12%2811%2814%297-8%2918-10-4-2-9%283-5-10%2915%2816%2917%2Fh1-7H,3.0,90.0,0.157894736842105,19.0,0.0,277.041993141174,55.05,14.409972299169,71.8,0.0,6.43786982248521,3.99583766909469,10.0,18.0,19.0,12.0,3.0,0.0,1.0,5.2171
InChI%3D1S%2FC6H13N3O2%2Fc1-2-3-4-5-9%288-11%296%287%2910%2Fh2-5H2%2C1H3%2C%28H2%2C7%2C10%29,6.0,42.0,0.6,10.0,0.0,146.084997177124,76.75,11.0,42.3815,2.0,6.69421487603306,5.28925619834711,6.0,11.0,10.0,0.0,5.0,0.0,5.0,1.6528
InChI%3D1S%2FC9H17NO2%2Fc10-7-9%286-8%2811%2912%294-2-1-3-5-9%2Fh1-7%2C10H2%2C%28H%2C11%2C12%29,3.0,56.0,0.25,12.0,0.0,154.103996276855,67.77,10.0833333333333,45.7176,1.0,4.296875,2.77777777777778,5.0,12.0,12.0,0.0,1.0,1.0,2.0,-0.6812
InChI%3D1S%2FC9H8O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-4H%2C5-6H2,0.0,56.0,0.0,12.0,1.0,140.096996307373,26.3,7.63888888888889,40.398,0.0,3.1640625,1.6,5.0,11.0,12.0,6.0,2.0,0.0,2.0,1.5382
InChI%3D1S%2FC14H13NO%2Fc1-11%2816%2915-14-9-7-13%288-10-14%2912-5-3-2-4-6-12%2Fh2-10H%2C1H3%2C%28H%2C15%2C16%29,2.0,78.0,0.117647058823529,17.0,0.0,198.159995079041,32.59,12.4567474048443,67.2758,1.0,6.07438016528926,3.76923076923077,9.0,16.0,17.0,12.0,2.0,0.0,2.0,3.9615
InChI%3D1S%2FC9H13ClN6%2Fc1-4-12-7-13-6%2810%2914-8%2815-7%2916-9%282%2C3%295-11%2Fh4H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29,3.0,76.0,0.1875,16.0,1.0,227.593996047974,89.75,14.0625,60.8114,2.0,6.07438016528926,4.81663516068053,8.0,16.0,16.0,6.0,5.0,0.0,5.0,1.09278
InChI%3D1S%2FC9H8N4O2S%2Fc10-12-9-11-8%285-16-9%296-1-3-7%284-2-6%2913%2814%2915%2Fh1-5H%2C10H2%2C%28H%2C11%2C12%29,3.0,80.0,0.176470588235294,17.0,1.0,228.191997528076,125.0,12.4567474048443,64.1821,2.0,5.55765595463138,3.02972651605232,9.0,16.0,17.0,11.0,5.0,0.0,4.0,2.5271
InChI%3D1S%2FC3H5N3O9%2Fc7-4%288%2913-1-3%2815-6%2811%2912%292-14-5%289%2910%2Fh3H%2C1-2H2,8.0,62.0,0.571428571428571,14.0,0.0,222.044995307922,165.15,15.0,44.263,0.0,8.18685121107266,10.2857142857143,7.0,15.0,14.0,0.0,9.0,0.0,0.0,0.5495
InChI%3D1S%2FC37H37N2O9S3%2Fc1-3-38%2825-27-7-5-9-35%2823-27%2950%2843%2C44%2945%2932-17-11-29%2812-18-32%2937%2831-15-21-34%2822-16-31%2949%2840%2C41%2942%2930-13-19-33%2820-14-30%2939%284-2%2926-28-8-6-10-36%2824-28%2951%2846%2C47%2948%2Fh5-24H%2C3-4%2C25-26H2%2C1-2H3%2C%28H%2C40%2C41%2C42%29%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29,13.0,272.0,0.236363636363636,55.0,0.0,712.612988471985,204.42,42.1487603305785,191.9459,1.0,18.2975156226185,11.52,21.0,51.0,55.0,24.0,7.0,3.0,10.0,7.0693
InChI%3D1S%2FC3H5Br2Cl%2Fc4-1-3%285%292-6%2Fh3H%2C1-2H2,2.0,20.0,0.4,5.0,0.0,231.293996810913,0.0,6.0,37.229,0.0,3.2,3.0,3.0,6.0,5.0,0.0,0.0,0.0,0.0,2.3836
InChI%3D1S%2FC4H8N4O2%2Fc9-5-7-2-1-3-8%284-7%296-10%2Fh1-4H2,2.0,44.0,0.2,10.0,1.0,136.069997787476,65.34,8.1,30.0464,0.0,4.0,2.28571428571429,5.0,10.0,10.0,0.0,6.0,0.0,6.0,0.1902
InChI%3D1S%2FC14H8O4%2Fc15-9-5-1-3-7-11%289%2914%2818%2912-8%2813%287%2917%294-2-6-10%2812%2916%2Fh1-6%2C15-16H,0.0,100.0,0.0,20.0,0.0,232.149993896484,74.6,13.005,63.0786,2.0,4.83555555555556,1.98347107438017,6.0,18.0,20.0,12.0,4.0,0.0,4.0,1.8732
InChI%3D1S%2FC2H3F%2Fc1-2-3%2Fh2H%2C1H2,0.0,6.0,0.0,2.0,0.0,43.019998550415,0.0,3.0,11.305,0.0,2.0,0.0,1.0,3.0,2.0,0.0,0.0,0.0,0.0,1.0994
InChI%3D1S%2FC6H9NO%2Fc1-2-7-5-3-4-6%287%298%2Fh2H%2C1%2C3-5H2,1.0,36.0,0.125,8.0,1.0,102.071997642517,20.31,6.125,28.9242,0.0,2.52,1.25,3.0,8.0,8.0,0.0,2.0,0.0,2.0,0.6902
InChI%3D1S%2FC7H5NS2%2Fc9-7-8-5-3-1-2-4-6%285%2910-7%2Fh1-4H%2C%28H%2C8%2C9%29,0.0,52.0,0.0,11.0,1.0,162.218000411987,79.93,6.69421487603306,46.872,1.0,2.56,1.2409972299169,4.0,10.0,11.0,10.0,2.0,0.0,3.0,2.585
InChI%3D1S%2FC9H15Cl6O4P%2Fc10-1-7%282-11%2917-20%2816%2C18-8%283-12%294-13%2919-9%285-14%296-15%2Fh7-9H%2C1-6H2,12.0,86.0,0.631578947368421,19.0,0.0,415.786991119385,54.57,20.0,86.5455,0.0,10.6875,7.55555555555556,7.0,20.0,19.0,0.0,4.0,0.0,4.0,4.6829
InChI%3D1S%2FC27H50O6%2Fc1-4-7-10-13-16-19-25%2828%2931-22-24%2833-27%2830%2921-18-15-12-9-6-3%2923-32-26%2829%2920-17-14-11-8-5-2%2Fh24H%2C4-23H2%2C1-3H3,26.0,134.0,0.8125,32.0,0.0,420.290988922119,78.9,33.0,131.926,0.0,25.1036734693878,23.5102040816327,19.0,33.0,32.0,0.0,6.0,0.0,6.0,7.06610000000001
InChI%3D1S%2FC13H14N2%2Fc14-12-5-1-10%282-6-12%299-11-3-7-13%2815%298-4-11%2Fh1-8H%2C9%2C14-15H2,2.0,74.0,0.125,16.0,0.0,184.156995773315,52.04,11.484375,64.5148,2.0,5.36507936507936,3.5,9.0,15.0,16.0,12.0,2.0,0.0,2.0,2.4418
InChI%3D1S%2FC6H12N2O2%2Fc1-3-4-8%287-10%295-6%282%299%2Fh3%2C6%2C9H%2C1%2C4-5H2%2C2H3,5.0,38.0,0.555555555555556,9.0,0.0,132.077997207642,52.9,10.0,39.2458,1.0,5.76,5.53086419753086,5.0,10.0,9.0,0.0,4.0,0.0,4.0,0.5366
InChI%3D1S%2FC21H32O3%2Fc1-19-11-13%2812-22%2918%2823%2910-14%2819%294-5-15-16%2819%296-8-20%282%2917%2815%297-9-21%2820%2C3%2924%2Fh12%2C14-17%2C22%2C24H%2C4-11H2%2C1-3H3,0.0,144.0,0.0,27.0,0.0,300.2279920578,57.53,17.4156378600823,93.4526,2.0,5.49728395061728,2.26420138115393,9.0,24.0,27.0,0.0,3.0,0.0,3.0,4.401
InChI%3D1S%2FC14H14ClN3O2S%2Fc1-8-4-3-5-10%289%288%292%2916-12-6-11%2815%2917-14%2818-12%2921-7-13%2819%2920%2Fh3-6H%2C7H2%2C1-2H3%2C%28H%2C19%2C20%29%28H%2C16%2C17%2C18%29,4.0,104.0,0.181818181818182,22.0,1.0,309.692995071411,106.47,17.3553719008264,81.1542,1.0,8.02222222222222,5.28979591836735,10.0,21.0,22.0,12.0,4.0,1.0,5.0,1.7543
InChI%3D1S%2FC12H12N2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10%2C13-14H,3.0,66.0,0.2,15.0,0.0,172.14599609375,24.06,10.5155555555556,60.1294,2.0,5.77777777777778,3.59183673469388,8.0,14.0,15.0,12.0,2.0,0.0,2.0,3.1256
InChI%3D1S%2FC14H14N2%2Fc1-2-16-13-6-4-3-5-11%2813%2912-9-10%2815%297-8-14%2812%2916%2Fh3-9H%2C2%2C15H2%2C1H3,1.0,88.0,0.0555555555555556,18.0,1.0,196.167995452881,30.95,11.1111111111111,69.5304,1.0,4.3491124260355,1.76454293628809,6.0,16.0,18.0,15.0,1.0,0.0,2.0,3.3966
InChI%3D1S%2FC4H8O%2Fc1-2-4-5-3-1%2Fh1-4H2,0.0,20.0,0.0,5.0,1.0,64.0429983139038,9.23,3.2,20.053,0.0,1.44,0.64,1.0,5.0,5.0,0.0,1.0,0.0,1.0,0.7968
InChI%3D1S%2FC3H7NO%2Fc1-3%282%294-5%2Fh5H%2C1-2H3,0.0,16.0,0.0,4.0,0.0,66.0389986038208,32.59,5.0,20.5695,1.0,2.25,4.0,2.0,5.0,4.0,0.0,2.0,0.0,2.0,0.8564
InChI%3D1S%2FCH4N2O2%2Fc2-1-3%284%295%2Fh1-2H2,1.0,16.0,0.25,4.0,0.0,72.0229988098145,73.46,5.0,19.0511,1.0,2.25,4.0,2.0,5.0,4.0,0.0,2.0,0.0,0.0,-1.0143
InChI%3D1S%2FC9H19N3O2%2Fc1-3-5-7-10-9%2813%2912%2811-14%298-6-4-2%2Fh3-8H2%2C1-2H3%2C%28H%2C10%2C13%29,8.0,54.0,0.615384615384615,13.0,0.0,182.11799621582,65.26,14.0,57.2478,1.0,9.55102040816327,7.04,9.0,14.0,13.0,0.0,5.0,0.0,5.0,2.484
InChI%3D1S%2FC6H6N2O3%2Fc7-5-3-4%288%2810%2911%291-2-6%285%299%2Fh1-3%2C9H%2C7H2,1.0,52.0,0.0909090909090909,11.0,0.0,148.076996803284,92.07,9.09090909090909,41.3412,2.0,3.6,2.21453287197232,5.0,11.0,11.0,6.0,4.0,0.0,2.0,1.4058
InChI%3D1S%2FC15H9NO4%2Fc1-8-6-7-11-12%2813%288%2916%2819%2920%2915%2818%2910-5-3-2-4-9%2810%2914%2811%2917%2Fh2-7H%2C1H3,1.0,110.0,0.0454545454545455,22.0,0.0,258.167993545532,79.96,14.9173553719008,73.308,0.0,5.65289256198347,2.390625,7.0,20.0,22.0,12.0,4.0,0.0,2.0,3.2018
InChI%3D1S%2FC12H12N2O2S%2Fc13-9-1-5-11%286-2-9%2917%2815%2C16%2912-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,2.0,88.0,0.111111111111111,18.0,0.0,236.210996627808,94.56,13.4320987654321,67.2048,2.0,5.32544378698225,3.0625,9.0,17.0,18.0,12.0,4.0,0.0,4.0,2.7646
InChI%3D1S%2FC4H10O%2Fc1-4%282%2C3%295%2Fh5H%2C1-3H3,0.0,20.0,0.0,4.0,0.0,64.0429983139038,20.23,5.0,21.9718,1.0,1.0,0.0,1.0,5.0,4.0,0.0,1.0,0.0,1.0,0.7772
InChI%3D1S%2FC6H4N4O3S%2Fc7-6-9-8-5%2814-6%293-1-2-4%2813-3%2910%2811%2912%2Fh1-2H%2C%28H2%2C7%2C9%29,2.0,72.0,0.133333333333333,15.0,2.0,208.157998085022,139.73,10.5155555555556,48.8434,2.0,4.24489795918367,2.34319526627219,7.0,14.0,15.0,10.0,4.0,0.0,4.0,1.6421
InChI%3D1S%2FC19H16ClNO4%2Fc1-11-15%2810-18%2822%2923%2916-9-14%2825-2%297-8-17%2816%2921%2811%2919%2824%2912-3-5-13%2820%296-4-12%2Fh3-9H%2C10H2%2C1-2H3%2C%28H%2C22%2C23%29,5.0,132.0,0.185185185185185,27.0,1.0,341.664991378784,71.36,19.7530864197531,93.805,0.0,8.34714003944773,4.13527945888216,11.0,25.0,27.0,16.0,3.0,1.0,5.0,2.5926
InChI%3D1S%2FC15H18N2%2Fc1-10-7-12%283-5-14%2810%2916%299-13-4-6-15%2817%2911%282%298-13%2Fh3-8H%2C9%2C16-17H2%2C1-2H3,2.0,86.0,0.111111111111111,18.0,0.0,208.178995132446,52.04,13.4320987654321,73.9888,2.0,5.76,3.48444444444444,9.0,17.0,18.0,12.0,2.0,0.0,2.0,3.0586
InChI%3D1S%2FC21H27N5O2S%2Fc1-14-4-5-15%2811-24-14%2910-16-12-25-20%2826-19%2816%2927%2923-8-9-29-13-17-6-7-18%2828-17%2921%282%2C3%2922%2Fh4-7%2C11-12H%2C8-10%2C13%2C22H2%2C1-3H3%2C%28H2%2C23%2C25%2C26%2C27%29,8.0,148.0,0.258064516129032,31.0,3.0,386.330993652344,140.24,23.6586888657648,115.3806,3.0,11.0394808004327,7.5712,18.0,29.0,31.0,17.0,5.0,0.0,6.0,2.3136
InChI%3D1S%2FC12H11N3%2Fc1-7-12-8-4-2-3-5-9%288%2915-10%2812%296-11%2813%2914-7%2Fh2-6%2C15H%2C1H3%2C%28H2%2C13%2C14%29,0.0,84.0,0.0,17.0,2.0,186.152996063232,55.43,10.1730103806228,60.7471,3.0,3.7856,1.64571428571429,6.0,15.0,17.0,15.0,1.0,0.0,1.0,2.4371
InChI%3D1S%2FC17H21N3%2Fc1-19%282%2915-9-5-13%286-10-15%2917%2818%2914-7-11-16%2812-8-14%2920%283%294%2Fh5-12%2C18H%2C1-4H3,4.0,100.0,0.19047619047619,21.0,0.0,246.20799446106,30.33,16.3718820861678,87.4687,1.0,7.31985731272295,4.25,11.0,20.0,21.0,12.0,3.0,0.0,3.0,3.2348
InChI%3D1S%2FC4H8N2O2%2Fc1-4%287%293-6%282%295-8%2Fh3H2%2C1-2H3,3.0,30.0,0.428571428571429,7.0,0.0,108.055997848511,49.74,8.0,29.106,0.0,3.9375,5.0,4.0,8.0,7.0,0.0,4.0,0.0,4.0,0.1886
InChI%3D1S%2FC9H13N%2Fc1-6-4-7%282%299%2810%298%283%295-6%2Fh4-5H%2C10H2%2C1-3H3,0.0,48.0,0.0,10.0,0.0,122.105997085571,26.02,8.1,45.0654,1.0,2.93877551020408,1.75,4.0,10.0,10.0,6.0,1.0,0.0,1.0,2.194
InChI%3D1S%2FC2H4N4%2Fc3-2-4-1-5-6-2%2Fh1H%2C%28H3%2C3%2C4%2C5%2C6%29,0.0,26.0,0.0,6.0,1.0,80.0499992370605,68.32,4.16666666666667,18.7931,3.0,1.63265306122449,0.979591836734694,2.0,6.0,6.0,5.0,2.0,0.0,2.0,-0.7827
InChI%3D1S%2FC13H9NO2%2Fc15-14%2816%2911-5-6-13-10%288-11%297-9-3-1-2-4-12%289%2913%2Fh1-6%2C8H%2C7H2,1.0,88.0,0.0555555555555556,18.0,0.0,202.147994995117,45.82,11.1111111111111,63.506,0.0,4.3491124260355,1.96604938271605,7.0,16.0,18.0,12.0,2.0,0.0,0.0,3.6892
InChI%3D1S%2FCCl4%2Fc2-1%283%2C4%295,0.0,20.0,0.0,4.0,0.0,153.822996139526,0.0,5.0,26.143,0.0,1.0,0.0,1.0,5.0,4.0,0.0,0.0,0.0,0.0,2.5529
InChI%3D1S%2FC6H10N3O6P%2Fc1-5-7-4-6%289%2810%2911%298%285%292-3-15-16%2812%2C13%2914%2Fh4H%2C2-3H2%2C1H3%2C%28H2%2C12%2C13%2C14%29,5.0,78.0,0.3125,16.0,1.0,241.054996490479,145.87,14.0625,50.7175,0.0,5.55765595463138,4.42361111111111,7.0,16.0,16.0,5.0,5.0,2.0,6.0,1.6086
InChI%3D1S%2FC15H17N3%2Fc1-12-5-4-6-14%2811-12%2917-16-13-7-9-15%2810-8-13%2918%282%293%2Fh4-11H%2C1-3H3,3.0,88.0,0.157894736842105,19.0,0.0,222.185995101929,27.96,14.409972299169,76.124,0.0,6.9632,4.56599286563615,10.0,18.0,19.0,12.0,3.0,0.0,3.0,4.4764
InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3,2.0,62.0,0.153846153846154,13.0,0.0,176.086996078491,91.64,11.0769230769231,48.823,0.0,4.48148148148148,2.72108843537415,5.0,13.0,13.0,6.0,4.0,0.0,0.0,2.8578
InChI%3D1S%2FC13H21NO3%2Fc1-13%282%2C3%2914-7-12%2817%299-4-5-11%2816%2910%286-9%298-15%2Fh4-6%2C12%2C14-17H%2C7-8H2%2C1-3H3,5.0,82.0,0.294117647058824,17.0,0.0,218.146994590759,77.3,15.0588235294118,67.6688,4.0,6.25,5.0176,8.0,17.0,17.0,6.0,3.0,0.0,3.0,0.279800000000001
InChI%3D1S%2FC3H5ClO%2Fc4-1-3-2-5-3%2Fh3H%2C1-2H2,1.0,22.0,0.2,5.0,1.0,87.4849977493286,12.53,3.2,20.46,0.0,1.0,0.326530612244898,2.0,5.0,5.0,0.0,1.0,0.0,1.0,0.624
InChI%3D1S%2FC62H86N12O16%2Fc1-27%282%2942-59%2884%2973-23-17-19-36%2873%2957%2882%2969%2813%2925-38%2875%2971%2815%2948%2829%285%296%2961%2886%2988-33%2811%2944%2855%2880%2965-42%2967-53%2878%2935-22-21-31%289%2951-46%2835%2964-47-40%2841%2863%2950%2877%2932%2810%2952%2847%2990-51%2954%2879%2968-45-34%2812%2989-62%2887%2949%2830%287%298%2972%2816%2939%2876%2926-70%2814%2958%2883%2937-20-18-24-74%2837%2960%2885%2943%2828%283%294%2966-56%2845%2981%2Fh21-22%2C27-30%2C33-34%2C36-37%2C42-45%2C48-49H%2C17-20%2C23-26%2C63H2%2C1-16H3%2C%28H%2C65%2C80%29%28H%2C66%2C81%29%28H%2C67%2C78%29%28H%2C68%2C79%29,8.0,480.0,0.0833333333333333,96.0,5.0,1168.74997329712,373.94,77.353515625,313.7822,5.0,33.2376543209877,17.3600968847432,27.0,90.0,96.0,15.0,27.0,0.0,28.0,2.05439999999999
InChI%3D1S%2FC5H11NO2%2Fc1-3-5%284-2%296%287%298%2Fh5H%2C3-4H2%2C1-2H3,3.0,30.0,0.428571428571429,7.0,0.0,106.059997558594,45.82,8.0,33.532,0.0,3.9375,2.8125,3.0,8.0,7.0,0.0,2.0,0.0,0.0,1.9749
InChI%3D1S%2FC4H9NO2%2Fc1-4%282%293-7-5-6%2Fh4H%2C3H2%2C1-2H3,3.0,24.0,0.5,6.0,0.0,94.0489978790283,38.66,7.0,26.585,0.0,4.16666666666667,6.0,4.0,7.0,6.0,0.0,3.0,0.0,1.0,1.3404
InChI%3D1S%2FC15H18N4O%2Fc1-3-18%284-2%2915-7-5-13%286-8-15%2916-17-14-9-11-19%2820%2912-10-14%2Fh5-12H%2C3-4H2%2C1-2H3,5.0,96.0,0.238095238095238,21.0,1.0,252.191994667053,53.42,16.3718820861678,81.715,0.0,8.44444444444444,5.05785123966942,12.0,20.0,21.0,12.0,4.0,0.0,4.0,3.5816
InChI%3D1S%2FC9H6O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-6H,0.0,56.0,0.0,12.0,1.0,140.096996307373,30.21,7.63888888888889,42.484,0.0,3.1640625,1.6,5.0,11.0,12.0,11.0,1.0,0.0,2.0,1.793
InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H,0.0,60.0,0.0,12.0,0.0,265.329993247986,20.23,10.0833333333333,53.1568,1.0,3.39506172839506,1.5625,4.0,12.0,12.0,6.0,1.0,0.0,1.0,4.6592
InChI%3D1S%2FC20H12%2Fc1-2-7-17-15%284-1%2912-16-9-8-13-5-3-6-14-10-11-18%2817%2920%2816%2919%2813%2914%2Fh1-12H,0.0,120.0,0.0,24.0,0.0,240.219993591309,0.0,12.5347222222222,87.652,0.0,4.75,1.82082644628099,8.0,20.0,24.0,24.0,0.0,0.0,0.0,5.7372
InChI%3D1S%2FC6H12N2OS2%2Fc1-4-8%287-9%295%282%2911-6%283%2910-4%2Fh4-6H%2C1-3H3,1.0,52.0,0.0909090909090909,11.0,1.0,180.213000297546,83.27,9.09090909090909,48.9822,0.0,3.6,1.97530864197531,5.0,11.0,11.0,0.0,5.0,0.0,5.0,2.4257
InChI%3D1S%2FC10H16%2Fc1-8%282%2910-6-4-9%283%295-7-10%2Fh4%2C10H%2C1%2C5-7H2%2C2-3H3,1.0,46.0,0.1,10.0,0.0,120.109996795654,0.0,8.1,45.912,0.0,3.40828402366864,2.28571428571429,5.0,10.0,10.0,0.0,0.0,0.0,0.0,3.3089
InChI%3D1S%2FC12H26N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-14%282%2913-15%2Fh3-12H2%2C1-2H3,11.0,56.0,0.785714285714286,14.0,0.0,188.144995689392,32.67,15.0,65.652,0.0,12.0714285714286,11.9289940828402,12.0,15.0,14.0,0.0,3.0,0.0,3.0,4.1304
InChI%3D1S%2FC18H16N2O7S2%2Fc1-10-3-6-15%2811%282%297-10%2919-20-17-14-9-13%2828%2822%2C23%2924%295-4-12%2814%298-16%2818%2817%2921%2929%2825%2C26%2927%2Fh3-9%2C19H%2C1-2H3%2C%28H%2C22%2C23%2C24%29%28H%2C25%2C26%2C27%29,4.0,158.0,0.129032258064516,31.0,0.0,420.338994026184,172.62,23.6586888657648,103.2505,1.0,8.859375,5.43751795461074,11.0,29.0,31.0,12.0,7.0,2.0,9.0,3.6541
InChI%3D1S%2FC19H27NO7%2Fc1-11-9-19%2812%282%2927-19%2917%2823%2926-14-6-8-20%284%297-5-13%2815%2814%2921%2910-25-16%2822%2918%2811%2C3%2924%2Fh5%2C11-12%2C14%2C24H%2C6-10H2%2C1-4H3,0.0,148.0,0.0,29.0,3.0,354.20899105072,106.87,21.7027348394768,92.4687,2.0,8.02469135802469,4.02472453641494,9.0,27.0,29.0,0.0,7.0,0.0,7.0,0.372800000000001
InChI%3D1S%2FC6H11NO2%2Fc1-3-5-6%284-2%297%288%299%2Fh5H%2C3-4H2%2C1-2H3,3.0,34.0,0.375,8.0,0.0,118.070997238159,45.82,9.0,37.827,0.0,4.83950617283951,3.55555555555556,4.0,9.0,8.0,0.0,2.0,0.0,0.0,2.4902
InChI%3D1S%2FC7H3Cl5O%2Fc1-13-7-5%2811%293%289%292%288%294%2810%296%287%2912%2Fh1H3,1.0,64.0,0.0769230769230769,13.0,0.0,277.340992927551,9.23,11.0769230769231,58.044,0.0,4.02216066481994,1.77514792899408,5.0,13.0,13.0,6.0,1.0,0.0,1.0,4.9622
InChI%3D1S%2FC9H15Br6O4P%2Fc10-1-7%2813%294-17-20%2816%2C18-5-8%2814%292-11%2919-6-9%2815%293-12%2Fh7-9H%2C1-6H2,12.0,86.0,0.631578947368421,19.0,0.0,682.492992401123,54.57,20.0,104.9895,0.0,10.6875,9.5625,9.0,20.0,19.0,0.0,4.0,0.0,4.0,5.6195
InChI%3D1S%2FC5H7N3OS%2Fc1-4-2-10-5%287-4%298-6-3-9%2Fh2-3H%2C1H3%2C%28H%2C6%2C9%29%28H%2C7%2C8%29,2.0,44.0,0.2,10.0,1.0,150.14199924469,85.75,8.1,41.5945,2.0,4.0,2.6508875739645,6.0,10.0,10.0,5.0,4.0,0.0,5.0,1.3647
InChI%3D1S%2FC19H28O2%2Fc1-18-9-7-13%2820%2911-12%2818%293-4-14-15-5-6-17%2821%2919%2815%2C2%2910-8-16%2814%2918%2Fh3%2C13-16%2C20H%2C4-11H2%2C1-2H3,0.0,126.0,0.0,24.0,0.0,260.206993103027,37.3,14.5833333333333,82.7168,1.0,4.74687705456936,1.92627824019025,9.0,21.0,24.0,0.0,2.0,0.0,2.0,3.8792
InChI%3D1S%2FC7H10N2%2Fc1-5-2-3-6%288%294-7%285%299%2Fh2-4H%2C8-9H2%2C1H3,0.0,42.0,0.0,9.0,0.0,112.090997695923,52.04,7.11111111111111,40.0038,2.0,2.72222222222222,1.70414201183432,4.0,9.0,9.0,6.0,2.0,0.0,2.0,1.1594
InChI%3D1S%2FC4H8O2%2Fc1-2-6-4-3-5-1%2Fh1-4H2,0.0,24.0,0.0,6.0,1.0,80.0419979095459,18.46,4.16666666666667,21.638,0.0,2.22222222222222,1.33333333333333,2.0,6.0,6.0,0.0,2.0,0.0,2.0,0.0332
InChI%3D1S%2FC14H12FNO%2Fc1-10%2817%2916-14-8-4-12%285-9-14%2911-2-6-13%2815%297-3-11%2Fh2-9H%2C1H3%2C%28H%2C16%2C17%29,2.0,84.0,0.111111111111111,18.0,0.0,217.157994270325,32.59,13.4320987654321,67.2338,1.0,6.25,4.0,10.0,17.0,18.0,12.0,2.0,0.0,2.0,4.1006
InChI%3D1S%2FC7H8N2O%2Fc1-9%288-10%297-5-3-2-4-6-7%2Fh2-6H%2C1H3,2.0,44.0,0.2,10.0,0.0,128.089997291565,32.67,8.1,40.64,0.0,4.0,2.28571428571429,5.0,10.0,10.0,6.0,3.0,0.0,3.0,1.8042
InChI%3D1S%2FC8H6N4O5%2Fc13-6-4-11%288%2814%2910-6%299-3-5-1-2-7%2817-5%2912%2815%2916%2Fh1-3H%2C4H2%2C%28H%2C10%2C13%2C14%29,3.0,86.0,0.166666666666667,18.0,2.0,232.110995292664,124.22,13.4320987654321,52.2612,1.0,5.76,3.48444444444444,9.0,17.0,18.0,5.0,7.0,0.0,6.0,0.8105
InChI%3D1S%2FC6H12N3PS%2Fc11-10%287-1-2-7%2C8-3-4-8%299-5-6-9%2Fh1-6H2,3.0,68.0,0.230769230769231,13.0,3.0,177.128000259399,50.93,6.50887573964497,42.5706,0.0,1.83673469387755,0.587695133149679,3.0,11.0,13.0,0.0,4.0,0.0,4.0,0.622
InChI%3D1S%2FC8H6N4O4S%2Fc1-4%2813%299-8-11-10-7%2817-8%295-2-3-6%2816-5%2912%2814%2915%2Fh2-3H%2C1H3%2C%28H%2C9%2C11%2C13%29,3.0,86.0,0.166666666666667,18.0,2.0,248.178997039795,145.57,13.4320987654321,61.8308,1.0,5.76,3.48444444444444,9.0,17.0,18.0,10.0,6.0,0.0,6.0,2.8374
InChI%3D1S%2FC16H15NO2%2Fc17-15-11-5-4-10-14%2815%2916%2818%2919-12-6-9-13-7-2-1-3-8-13%2Fh1-11H%2C12%2C17H2,5.0,90.0,0.25,20.0,0.0,238.180994033813,52.32,15.39,76.6129,1.0,8.3232,5.12,11.0,19.0,20.0,12.0,3.0,0.0,3.0,3.139
InChI%3D1S%2FC7H7NO3%2Fc1-11-7-5-3-2-4-6%287%298%289%2910%2Fh2-5H%2C1H3,2.0,50.0,0.181818181818182,11.0,0.0,146.080996513367,55.05,9.09090909090909,41.816,0.0,4.13265306122449,2.21453287197232,4.0,11.0,11.0,6.0,3.0,0.0,1.0,2.1266
InChI%3D1S%2FC7H7FN2O%2Fc1-10%289-11%297-4-2-6%288%293-5-7%2Fh2-5H%2C1H3,2.0,50.0,0.181818181818182,11.0,0.0,147.087996482849,32.67,9.09090909090909,40.598,0.0,4.13265306122449,2.5,6.0,11.0,11.0,6.0,3.0,0.0,3.0,1.9433
InChI%3D1S%2FC32H24N6O14S4%2Fc33-23-13-21%2853%2841%2C42%2943%299-17-11-25%2855%2847%2C48%2949%2929%2831%2839%2927%2817%2923%2937-35-19-5-1-15%282-6-19%2916-3-7-20%288-4-16%2936-38-30-26%2856%2850%2C51%2952%2912-18-10-22%2854%2844%2C45%2946%2914-24%2834%2928%2818%2932%2830%2940%2Fh1-14%2C35-36H%2C33-34H2%2C%28H%2C41%2C42%2C43%29%28H%2C44%2C45%2C46%29%28H%2C47%2C48%2C49%29%28H%2C50%2C51%2C52%29,9.0,314.0,0.147540983606557,61.0,0.0,820.647989273071,397.28,45.5253963988175,195.8148,4.0,17.40234375,10.3834990593926,26.0,56.0,61.0,24.0,16.0,4.0,20.0,5.75040000000001
InChI%3D1S%2FCH4N2S%2Fc2-1%283%294%2Fh%28H4%2C2%2C3%2C4%29,0.0,12.0,0.0,3.0,0.0,72.0920009613037,88.67,4.0,20.9001,3.0,1.33333333333333,0.0,1.0,4.0,3.0,0.0,3.0,0.0,3.0,-0.1903
InChI%3D1S%2FC32H40BrN5O5%2Fc1-16%282%2912-24-29%2840%2937-11-7-10-25%2837%2932%2842%2938%2824%2930%2841%2931%2843-32%2C17%283%294%2935-28%2839%2918-13-20-19-8-6-9-22-26%2819%2921%2827%2833%2934-22%2914-23%2820%2936%285%2915-18%2Fh6%2C8-9%2C13%2C16-18%2C23-25%2C34%2C42H%2C7%2C10-12%2C14-15H2%2C1-5H3%2C%28H%2C35%2C39%29,5.0,256.0,0.102040816326531,49.0,5.0,614.28598690033,122.9,31.5918367346939,160.3826,4.0,11.3126101586284,4.74542758279783,15.0,43.0,49.0,10.0,8.0,0.0,8.0,4.06100000000001
InChI%3D1S%2FC7H4N2O3S%2Fc10-9%2811%297-2-1-6%2812-7%295-3-13-4-8-5%2Fh1-4H,2.0,66.0,0.142857142857143,14.0,2.0,192.154997825623,100.09,9.55102040816327,48.638,0.0,4.02216066481994,2.08333333333333,6.0,13.0,14.0,10.0,3.0,0.0,3.0,2.8345
InChI%3D1S%2FC3H3N3O3%2Fc7-2-1-6%285-9%293%288%294-2%2Fh1H2%2C%28H%2C4%2C7%2C8%29,1.0,42.0,0.111111111111111,9.0,1.0,126.05099773407,82.33,7.11111111111111,22.9322,1.0,2.72222222222222,1.46938775510204,4.0,9.0,9.0,0.0,6.0,0.0,6.0,-0.5666
InChI%3D1S%2FC7H14N2O%2Fc10-8-9-6-4-2-1-3-5-7-9%2Fh1-7H2,1.0,42.0,0.1,10.0,1.0,128.089997291565,32.67,8.1,38.2332,0.0,4.7603305785124,3.11111111111111,5.0,10.0,10.0,0.0,3.0,0.0,3.0,1.8718
InChI%3D1S%2FC2H2F4%2Fc3-1-2%284%2C5%296%2Fh1H2,1.0,24.0,0.2,5.0,0.0,100.013996124268,0.0,6.0,12.03,0.0,1.63265306122449,5.33333333333333,2.0,6.0,5.0,0.0,0.0,0.0,0.0,1.5182
InChI%3D1S%2FC16H17NO2%2Fc1-18-15-9-10-16%2819-2%2913%2811-15%296-3-12-4-7-14%2817%298-5-12%2Fh3-11H%2C17H2%2C1-2H3,4.0,92.0,0.2,20.0,0.0,238.180994033813,44.48,15.39,79.3284,1.0,7.69526627218935,4.5,10.0,19.0,20.0,12.0,3.0,0.0,3.0,3.4564
InChI%3D1S%2FC15H11NO2%2Fc1-8-6-7-11-12%2813%288%2916%2915%2818%2910-5-3-2-4-9%2810%2914%2811%2917%2Fh2-7H%2C16H2%2C1H3,0.0,100.0,0.0,20.0,0.0,226.169994354248,60.16,13.005,68.8984,1.0,4.83555555555556,1.98347107438017,7.0,18.0,20.0,12.0,3.0,0.0,3.0,2.3526
InChI%3D1S%2FC12H8Cl2%2Fc13-11-5-1-3-9%287-11%2910-4-2-6-12%2814%298-10%2Fh1-8H,1.0,70.0,0.0666666666666667,15.0,0.0,215.037994384766,0.0,10.5155555555556,61.898,0.0,4.68,2.75,6.0,14.0,15.0,12.0,0.0,0.0,0.0,4.6604
InChI%3D1S%2FC6H13NO%2Fc1-4-7%285-2%296%283%298%2Fh4-5H2%2C1-3H3,3.0,30.0,0.428571428571429,7.0,0.0,102.071997642517,20.31,8.0,33.602,0.0,3.9375,2.8125,3.0,8.0,7.0,0.0,2.0,0.0,2.0,0.8747
InChI%3D1S%2FC3H4O2%2Fc4-2-1-3-5%2Fh1-4H,1.0,14.0,0.25,4.0,0.0,68.0309982299805,37.3,5.0,17.8328,1.0,4.0,4.0,3.0,5.0,4.0,0.0,2.0,0.0,2.0,0.257
InChI%3D1S%2FC9H11N3O%2Fc13-11-12-6-2-4-9%2812%298-3-1-5-10-7-8%2Fh1%2C3%2C5%2C7%2C9H%2C2%2C4%2C6H2,2.0,64.0,0.142857142857143,14.0,2.0,166.118996620178,45.56,9.55102040816327,46.4932,0.0,4.48148148148148,2.08333333333333,6.0,13.0,14.0,6.0,4.0,0.0,4.0,1.8378
InChI%3D1S%2FC2H5N5O3%2Fc1-6%285-8%292%283%294-7%289%2910%2Fh1H3%2C%28H2%2C3%2C4%29,4.0,40.0,0.444444444444444,9.0,0.0,142.053997993469,114.37,10.0,33.5824,2.0,4.7603305785124,4.48,5.0,10.0,9.0,0.0,7.0,0.0,5.0,-0.1611
InChI%3D1S%2FC10H8N4%2Fc11-8-5-4-7-10%2813-8%2914-6-2-1-3-9%2814%2912-7%2Fh1-6H%2C%28H2%2C11%2C13%29,0.0,78.0,0.0,16.0,3.0,176.137996673584,56.94,9.2421875,52.9034,2.0,3.53875236294896,1.546875,6.0,14.0,16.0,15.0,2.0,0.0,3.0,1.2951
InChI%3D1S%2FC6H6ClN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,0.0,36.0,0.0,8.0,0.0,121.525997161865,26.02,6.125,35.8644,1.0,2.52,1.8,4.0,8.0,8.0,6.0,1.0,0.0,1.0,1.9222
InChI%3D1S%2FC26H29NO%2Fc1-4-25%2821-11-7-5-8-12-21%2926%2822-13-9-6-10-14-22%2923-15-17-24%2818-16-23%2928-20-19-27%282%293%2Fh5-18H%2C4%2C19-20H2%2C1-3H3,8.0,138.0,0.266666666666667,30.0,0.0,342.291991233826,13.67,22.68,120.8397,1.0,12.0,6.76,13.0,28.0,30.0,18.0,1.0,0.0,1.0,4.579
InChI%3D1S%2FC7H5NO4%2Fc9-7%2810%295-1-3-6%284-2-5%298%2811%2912%2Fh1-4H%2C%28H%2C9%2C10%29,2.0,56.0,0.166666666666667,12.0,0.0,162.079996109009,85.95,10.0833333333333,40.281,0.0,4.296875,2.77777777777778,6.0,12.0,12.0,6.0,3.0,1.0,2.0,0.4815
InChI%3D1S%2FC3H5NO%2Fc1-2-3%284%295%2Fh2H%2C1H2%2C%28H2%2C4%2C5%29,1.0,16.0,0.25,4.0,0.0,66.0389986038208,44.08,5.0,20.5525,2.0,2.25,4.0,2.0,5.0,4.0,0.0,2.0,0.0,2.0,0.7077
InChI%3D1S%2FC6H12N2O%2Fc1-6-4-2-3-5-8%286%297-9%2Fh6H%2C2-5H2%2C1H3,1.0,40.0,0.111111111111111,9.0,1.0,116.078997612,32.67,7.11111111111111,33.5942,0.0,3.2396694214876,1.70414201183432,4.0,9.0,9.0,0.0,3.0,0.0,3.0,1.4801
InChI%3D1S%2FC4H6O%2Fc1-2-3-4-5%2Fh2-4H%2C1H3,1.0,14.0,0.25,4.0,0.0,64.0429983139038,17.07,5.0,20.878,0.0,4.0,4.0,3.0,5.0,4.0,0.0,1.0,0.0,1.0,0.7614
InChI%3D1S%2FC15H17N5O%2Fc1-2-21-9-8-12-13%2811-6-4-3-5-7-11%2919-15%2816%2920-14%2812%2917-10-18-20%2Fh3-7%2C10H%2C2%2C8-9H2%2C1H3%2C%28H2%2C16%2C19%29,5.0,108.0,0.217391304347826,23.0,2.0,266.198994636536,79.06,15.8790170132325,78.8254,2.0,7.51300728407908,3.50459707950243,9.0,21.0,23.0,16.0,4.0,0.0,5.0,1.7829
InChI%3D1S%2FC14H19N3S%2Fc1-16%282%299-10-17%2812-13-6-5-11-18-13%2914-7-3-4-8-15-14%2Fh3-8%2C11H%2C9-10%2C12H2%2C1-2H3,6.0,86.0,0.315789473684211,19.0,2.0,242.241996765137,48.81,14.409972299169,79.4177,1.0,7.55555555555556,4.89795918367347,7.0,18.0,19.0,11.0,2.0,0.0,3.0,1.2942
InChI%3D1S%2FC3H6FN3O2%2Fc4-1-2-7%286-9%293%285%298%2Fh1-2H2%2C%28H2%2C5%2C8%29,4.0,34.0,0.5,8.0,0.0,129.049997329712,76.75,9.0,28.8315,2.0,4.83950617283951,3.55555555555556,4.0,9.0,8.0,0.0,5.0,0.0,5.0,0.4321
InChI%3D1S%2FC14H9Cl5%2Fc15-11-5-1-9%282-6-11%2913%2814%2817%2C18%2919%2910-3-7-12%2816%298-4-10%2Fh1-8%2C13H,3.0,98.0,0.15,20.0,0.0,345.418991088867,0.0,15.39,85.037,0.0,6.18549346016647,3.98615916955017,9.0,19.0,20.0,12.0,0.0,0.0,0.0,6.4955
InChI%3D1S%2FC11H16N4O4%2Fc16-8-4-14%285-9%2817%2912-8%292-1-3-15-6-10%2818%2913-11%2819%297-15%2Fh1-7H2%2C%28H%2C12%2C16%2C17%29%28H%2C13%2C18%2C19%29,4.0,94.0,0.2,20.0,2.0,252.144994735718,108.2,15.39,59.5068,4.0,7.1358024691358,5.12,9.0,19.0,20.0,0.0,6.0,0.0,6.0,-1.8507
InChI%3D1S%2FC10H14N2O4S%2Fc1-9-3-5-10%286-4-9%2917%2814%2C15%2916-8-7-12%282%2911-13%2Fh3-6H%2C7-8H2%2C1-2H3,6.0,80.0,0.352941176470588,17.0,0.0,244.186996459961,84.42,15.0588235294118,62.786,0.0,6.80529300567108,5.0176,10.0,17.0,17.0,6.0,6.0,0.0,6.0,2.3943
InChI%3D1S%2FC18H16N2O7S2%2Fc1-10-7-11%282%2916%2828%2822%2C23%2924%298-14%2810%2919-20-15-9-17%2829%2825%2C26%2927%2912-5-3-4-6-13%2812%2918%2815%2921%2Fh3-9%2C19H%2C1-2H3%2C%28H%2C22%2C23%2C24%29%28H%2C25%2C26%2C27%29,4.0,158.0,0.129032258064516,31.0,0.0,420.338994026184,172.62,23.6586888657648,103.472,1.0,8.859375,5.25777777777778,11.0,29.0,31.0,12.0,7.0,2.0,9.0,3.9196
InChI%3D1S%2FC33H40N2O9%2Fc1-38-19-7-8-20-21-9-10-35-16-18-13-27%2844-32%2836%2917-11-25%2839-2%2930%2841-4%2926%2812-17%2940-3%2931%2842-5%2928%2833%2837%2943-6%2922%2818%2915-24%2835%2929%2821%2934-23%2820%2914-19%2Fh7-8%2C11-12%2C14%2C18%2C22%2C24%2C27-28%2C31%2C34H%2C9-10%2C13%2C15-16H2%2C1-6H3,10.0,242.0,0.204081632653061,49.0,3.0,568.367985725403,118.98,33.884214910454,159.4301,2.0,14.6319444444444,6.43681025275899,19.0,44.0,49.0,16.0,9.0,0.0,9.0,4.3232
InChI%3D1S%2FC9H6N2O2%2Fc12-11%2813%298-5-1-3-7-4-2-6-10-9%287%298%2Fh1-6H,1.0,66.0,0.0714285714285714,14.0,1.0,168.110996246338,58.71,9.55102040816327,50.565,0.0,4.02216066481994,1.92,5.0,13.0,14.0,11.0,3.0,0.0,1.0,2.6662
InChI%3D1S%2FC7H10N6O3%2Fc1-11-4-8-6%2812%282%299-15%295%2811%297%2814%2913%283%2910-16%2Fh4H%2C1-3H3,5.0,76.0,0.3125,16.0,1.0,216.115996360779,100.23,14.0625,55.2945,0.0,6.07438016528926,3.02972651605232,7.0,16.0,16.0,5.0,8.0,0.0,9.0,0.2911
InChI%3D1S%2FC15H11NO2%2Fc1-9%2817%2916-10-6-7-12-11-4-2-3-5-13%2811%2915%2818%2914%2812%298-10%2Fh2-8H%2C1H3%2C%28H%2C16%2C17%29,1.0,98.0,0.05,20.0,0.0,226.169994354248,49.66,13.005,70.7083,1.0,5.17479191438763,2.4,8.0,18.0,20.0,12.0,3.0,0.0,3.0,3.5059
InChI%3D1S%2FC16H16N2O4S%2Fc1-11%2819%2917-13-3-7-15%288-4-13%2923%2821%2C22%2916-9-5-14%286-10-16%2918-12%282%2920%2Fh3-10H%2C1-2H3%2C%28H%2C17%2C19%29%28H%2C18%2C20%29,4.0,116.0,0.166666666666667,24.0,0.0,316.252994537354,107.7,19.3263888888889,89.1756,2.0,8.39273356401384,5.5,13.0,23.0,24.0,12.0,6.0,0.0,6.0,4.816
InChI%3D1S%2FC15H32N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-13-14-15-17%282%2916-18%2Fh3-15H2%2C1-2H3,14.0,68.0,0.823529411764706,17.0,0.0,224.177994728088,32.67,18.0,79.503,0.0,15.0588235294118,15.0,15.0,18.0,17.0,0.0,3.0,0.0,3.0,5.3007
InChI%3D1S%2FC3H7N3O3%2Fc4-3%288%296%285-9%291-2-7%2Fh7H%2C1-2H2%2C%28H2%2C4%2C8%29,4.0,34.0,0.5,8.0,0.0,126.05099773407,96.98,9.0,29.9423,3.0,4.83950617283951,3.55555555555556,4.0,9.0,8.0,0.0,6.0,0.0,6.0,-0.5451
InChI%3D1S%2FC7H8%2Fc1-7-5-3-2-4-6-7%2Fh2-6H%2C1H3,0.0,30.0,0.0,7.0,0.0,84.076997756958,0.0,5.14285714285714,31.179,0.0,2.34375,1.5,3.0,7.0,7.0,6.0,0.0,0.0,0.0,1.995
InChI%3D1S%2FC19H27NO6%2Fc1-5-13-10-12%282%2919%283%2C24%2918%2823%2925-11-14-6-8-20%284%299-7-15%2816%2814%2921%2926-17%2813%2922%2Fh5-6%2C12%2C15%2C24H%2C7-11H2%2C1-4H3,0.0,132.0,0.0,27.0,2.0,338.209991455078,94.34,22.2908093278464,92.9477,2.0,9.46745562130178,5.51770095793419,9.0,26.0,27.0,0.0,6.0,0.0,6.0,1.1616
InChI%3D1S%2FC2H6N2O%2Fc1-3-4%282%295%2Fh1-2H3,0.0,16.0,0.0,4.0,0.0,68.0349988937378,41.11,5.0,20.071,0.0,2.25,4.0,2.0,5.0,4.0,0.0,2.0,0.0,2.0,0.7317
InChI%3D1S%2FC14H19Cl2NO2%2Fc15-8-10-17%2811-9-16%2913-6-4-12%285-7-13%292-1-3-14%2818%2919%2Fh4-7H%2C1-3%2C8-11H2%2C%28H%2C18%2C19%29,9.0,84.0,0.473684210526316,19.0,0.0,285.064992904663,43.37,17.0526315789474,78.7265,0.0,9.8336483931947,6.81656804733728,11.0,19.0,19.0,6.0,2.0,1.0,3.0,2.0432
InChI%3D1S%2FC9H8N4O2S%2Fc1-13%2812-15%299%2814%2911-8-10-6-4-2-3-5-7%286%2916-8%2Fh2-5H%2C1H3%2C%28H%2C10%2C11%2C14%29,3.0,80.0,0.176470588235294,17.0,1.0,228.191997528076,106.39,12.4567474048443,62.9018,1.0,5.55765595463138,3.02972651605232,8.0,16.0,17.0,10.0,6.0,0.0,7.0,2.455
InChI%3D1S%2FC4H6N2S%2Fc1-6-3-2-5-4%286%297%2Fh2-3H%2C1H3%2C%28H%2C5%2C7%29,0.0,32.0,0.0,7.0,1.0,108.125,56.62,5.14285714285714,30.46,1.0,1.85185185185185,0.96,2.0,7.0,7.0,5.0,2.0,0.0,3.0,0.7088
InChI%3D1S%2FC12H11NO2%2Fc1-13-12%2814%2915-11-8-4-6-9-5-2-3-7-10%289%2911%2Fh2-8H%2C1H3%2C%28H%2C13%2C14%29,2.0,74.0,0.125,16.0,0.0,190.136995315552,41.82,11.484375,60.5638,1.0,5.36507936507936,2.76543209876543,7.0,15.0,16.0,11.0,3.0,0.0,3.0,2.7624
InChI%3D1S%2FC7H6O3%2Fc8-5-1-2-6-7%283-5%2910-4-9-6%2Fh1-3%2C8H%2C4H2,0.0,52.0,0.0,11.0,1.0,132.073996543884,38.69,6.69421487603306,34.2298,1.0,2.56,1.2409972299169,4.0,10.0,11.0,6.0,3.0,0.0,3.0,1.1209
InChI%3D1S%2FC6H5Cl%2Fc7-6-4-2-1-3-5-6%2Fh1-5H,0.0,30.0,0.0,7.0,0.0,107.518997192383,0.0,5.14285714285714,31.452,0.0,2.34375,1.5,3.0,7.0,7.0,6.0,0.0,0.0,0.0,2.34
InChI%3D1S%2FC9H14N8S3%2Fc10-6-7%2817-20-16-6%2913-1-2-18-3-5-4-19-9%2814-5%2915-8%2811%2912%2Fh4H%2C1-3H2%2C%28H2%2C10%2C16%29%28H%2C13%2C17%29%28H4%2C11%2C12%2C14%2C15%29,8.0,96.0,0.380952380952381,21.0,2.0,316.356000900269,220.4,16.3718820861678,86.6239,5.0,8.44444444444444,5.7315296566077,12.0,20.0,21.0,10.0,9.0,0.0,11.0,1.2275
InChI%3D1S%2FC6H13NO2S%2Fc1-2-10-4-3-5%287%296%288%299%2Fh5H%2C2-4%2C7H2%2C1H3%2C%28H%2C8%2C9%29,5.0,38.0,0.555555555555556,9.0,0.0,150.137998580933,93.07,10.0,42.1196,1.0,5.76,5.53086419753086,6.0,10.0,9.0,0.0,2.0,1.0,3.0,-1.51
InChI%3D1S%2FC34H27N9O7S2%2Fc35-22-10-15-27%2826%2836%2918-22%2941-38-24-11-6-19%287-12-24%2920-8-13-25%2814-9-20%2940-42-32-28%2851%2845%2C46%2947%2916-21-17-29%2852%2848%2C49%2950%2933%2834%2844%2930%2821%2931%2832%2937%2943-39-23-4-2-1-3-5-23%2Fh1-18%2C39H%2C35-37H2%2C%28H%2C45%2C46%2C47%29%28H%2C48%2C49%2C50%29,9.0,282.0,0.157894736842105,57.0,0.0,710.563988685608,300.12,41.6288088642659,193.9072,4.0,18.0697278911565,10.5024005486968,26.0,52.0,57.0,30.0,14.0,2.0,16.0,8.5472
InChI%3D1S%2FC19H29N5O2%2Fc1-23-19%2821-18%2815-25%2922-23%2920-9-6-12-26-17-8-5-7-16%2813-17%2914-24-10-3-2-4-11-24%2Fh5%2C7-8%2C13%2C25H%2C2-4%2C6%2C9-12%2C14-15H2%2C1H3%2C%28H%2C20%2C21%2C22%29,8.0,128.0,0.285714285714286,28.0,2.0,330.241992950439,79.87,20.7270408163265,98.3364,3.0,11.1111111111111,6.84297520661157,16.0,26.0,28.0,11.0,4.0,0.0,5.0,1.7483
InChI%3D1S%2FC9H16N2O2S2%2Fc14-9%2810-1-5-12-6-2-10%2915-11-3-7-13-8-4-11%2Fh1-8H2,3.0,72.0,0.1875,16.0,2.0,232.244998931885,82.33,11.484375,60.5334,0.0,5.915,3.5,8.0,15.0,16.0,0.0,6.0,0.0,6.0,0.4597
InChI%3D1S%2FC5H8%2Fc1-4-5%282%293%2Fh4H%2C1-2H2%2C3H3,1.0,16.0,0.25,4.0,0.0,60.0549983978271,0.0,5.0,25.011,0.0,2.25,4.0,2.0,5.0,4.0,0.0,0.0,0.0,0.0,1.7485
InChI%3D1S%2FC16H23NO6%2Fc1-9-13%2818%2923-11-5-7-17-6-4-10%2812%2811%2917%298-22-14%2819%2916%283%2C21%2915%289%2C2%2920%2Fh4%2C9%2C11-12%2C20-21H%2C5-8H2%2C1-3H3,0.0,130.0,0.0,25.0,3.0,302.176992416382,97.5,17.8112,78.0545,3.0,6.06375,2.80612244897959,7.0,23.0,25.0,0.0,6.0,0.0,6.0,-0.240499999999999
InChI%3D1S%2FC9H13N%2Fc1-6-4-8%283%299%2810%295-7%286%292%2Fh4-5H%2C10H2%2C1-3H3,0.0,48.0,0.0,10.0,0.0,122.105997085571,26.02,8.1,45.0654,1.0,2.93877551020408,1.75,4.0,10.0,10.0,6.0,1.0,0.0,1.0,2.194
InChI%3D1S%2FC4H6O2%2Fc1-3-6-4%282%295%2Fh3H%2C1H2%2C2H3,2.0,20.0,0.4,5.0,0.0,80.0419979095459,26.3,6.0,21.963,0.0,3.2,5.33333333333333,3.0,6.0,5.0,0.0,2.0,0.0,2.0,0.693
InChI%3D1S%2FC6H9NO6%2Fc8-4%289%291-7%282-5%2810%2911%293-6%2812%2913%2Fh1-3H2%2C%28H%2C8%2C9%29%28H%2C10%2C11%29%28H%2C12%2C13%29,6.0,54.0,0.5,12.0,0.0,182.066995620728,124.83,13.0,34.7782,1.0,6.45333333333333,8.33333333333333,5.0,13.0,12.0,0.0,3.0,3.0,6.0,-6.879
InChI%3D1S%2FC11H10N4%2Fc1-7-3-2-6-15-10%287%2913-8-4-5-9%2812%2914-11%288%2915%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29,0.0,84.0,0.0,17.0,3.0,188.148996353149,56.94,10.1730103806228,57.6404,2.0,3.7856,1.64571428571429,6.0,15.0,17.0,15.0,2.0,0.0,3.0,1.6035
InChI%3D1S%2FC4H7F3N2O%2Fc1-2-9%288-10%293-4%285%2C6%297%2Fh2-3H2%2C1H3,4.0,42.0,0.444444444444444,9.0,0.0,149.050995826721,32.67,10.0,29.097,0.0,4.0,5.53086419753086,4.0,10.0,9.0,0.0,3.0,0.0,3.0,1.552
InChI%3D1S%2FC6H12N2O3%2Fc1-8%282%297-5%289%293-4-6%2810%2911%2Fh3-4H2%2C1-2H3%2C%28H%2C7%2C9%29%28H%2C10%2C11%29,4.0,44.0,0.4,10.0,0.0,148.076996803284,75.96,11.0,38.6783,1.0,5.625,7.90123456790123,6.0,11.0,10.0,0.0,4.0,1.0,5.0,-1.0504
InChI%3D1S%2FC11H17F3N6O%2Fc12-11%2813%2C14%297-17-10%2816%2918-9-4-6-20%2819-9%295-2-1-3-8%2815%2921%2Fh4%2C6H%2C1-3%2C5%2C7H2%2C%28H2%2C15%2C21%29%28H3%2C16%2C17%2C18%2C19%29,9.0,98.0,0.428571428571429,21.0,1.0,289.155993461609,113.04,19.047619047619,70.3366,5.0,9.20918367346939,9.58579881656805,13.0,21.0,21.0,5.0,5.0,0.0,6.0,1.5092
InChI%3D1S%2FC6H3Cl3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,0.0,48.0,0.0,10.0,0.0,194.423995018005,20.23,8.1,43.1368,1.0,2.93877551020408,1.75,4.0,10.0,10.0,6.0,1.0,0.0,1.0,3.3524
InChI%3D1S%2FC3H4O2%2Fc4-3-1-2-5-3%2Fh1-2H2,0.0,22.0,0.0,5.0,1.0,68.0309982299805,26.3,3.2,15.576,0.0,1.0,0.444444444444444,2.0,5.0,5.0,0.0,2.0,0.0,2.0,-0.0667
InChI%3D1S%2FC12H11N3%2Fc1-7-6-9-8-4-2-3-5-10%288%2914-12%289%2915-11%287%2913%2Fh2-6H%2C1H3%2C%28H3%2C13%2C14%2C15%29,0.0,84.0,0.0,17.0,2.0,186.152996063232,55.43,10.1730103806228,60.7471,3.0,3.7856,1.64571428571429,6.0,15.0,17.0,15.0,1.0,0.0,1.0,2.4371
InChI%3D1S%2FC14H15N3O2%2Fc1-14%282%299-7-8%283-4-11%289%2915-13%2814%2919%2910-5-6-12%2818%2917-16-10%2Fh3-4%2C7H%2C5-6H2%2C1-2H3%2C%28H%2C15%2C19%29%28H%2C17%2C18%29,1.0,106.0,0.0476190476190476,21.0,2.0,242.172994613647,77.54,13.9591836734694,66.6002,2.0,5.080078125,2.49215792320173,9.0,19.0,21.0,6.0,5.0,0.0,5.0,1.327
InChI%3D1S%2FC21H28O5%2Fc1-19-7-5-13%2823%299-12%2819%293-4-14-15-6-8-21%2826%2C17%2825%2911-22%2920%2815%2C2%2910-16%2824%2918%2814%2919%2Fh5%2C7%2C9%2C14-16%2C18%2C22%2C24%2C26H%2C3-4%2C6%2C8%2C10-11H2%2C1-2H3,2.0,154.0,0.0689655172413793,29.0,0.0,332.225991249084,94.83,19.3222354340071,95.0484,3.0,6.25,2.48601989116157,11.0,26.0,29.0,0.0,5.0,0.0,5.0,1.5576
InChI%3D1S%2FC12H9N3O3S%2Fc16-12-7-3-1-2-4-8%287%2913-11%2814-12%299-5-6-10%2819-9%2915%2817%2918%2Fh1-6%2C11%2C13H%2C%28H%2C14%2C16%29,2.0,102.0,0.0952380952380952,21.0,2.0,266.216996192932,118.68,13.9591836734694,68.9229,2.0,5.78,2.88,9.0,19.0,21.0,11.0,5.0,0.0,4.0,3.182
InChI%3D1S%2FC16H14N4O3S%2Fc21-20%2822%2914-6-5-13%2824-14%2915-17-12-4-2-1-3-11%2812%2916%2818-15%2919-7-9-23-10-8-19%2Fh1-6H%2C7-10H2,3.0,130.0,0.111111111111111,27.0,3.0,328.267994880676,112.31,17.4156378600823,91.5052,0.0,7.70914127423823,3.75887573964497,10.0,24.0,27.0,16.0,6.0,0.0,5.0,3.6913
InChI%3D1S%2FC2H5NO2%2Fc3-1-2%284%295%2Fh1%2C3H2%2C%28H%2C4%2C5%29,1.0,16.0,0.25,4.0,0.0,70.0269985198975,67.77,5.0,15.5826,1.0,2.25,4.0,2.0,5.0,4.0,0.0,1.0,1.0,2.0,-3.0218
InChI%3D1S%2FC5H7N3O2%2Fc1-4-6-3-5%287%284%292%298%289%2910%2Fh3H%2C1-2H3,1.0,48.0,0.1,10.0,1.0,134.073997497559,63.64,8.1,36.767,0.0,2.93877551020408,1.55017301038062,4.0,10.0,10.0,5.0,3.0,0.0,2.0,1.1599
InChI%3D1S%2FC10HCl11%2Fc11-2-1-3%2812%295%2814%294%281%2C13%2910%2820%2C21%297%282%2C16%298%285%2C17%296%282%2C15%299%283%2C18%2919%2Fh1H,0.0,164.0,0.0,25.0,0.0,510.092987060547,0.0,13.44,92.452,0.0,2.22222222222222,0.473372781065089,5.0,21.0,25.0,0.0,0.0,0.0,0.0,5.8616
InChI%3D1S%2FC2H6N2O%2Fc1-4%282%293-5%2Fh1-2H3,1.0,16.0,0.25,4.0,0.0,68.0349988937378,32.67,5.0,19.482,0.0,2.25,4.0,2.0,5.0,4.0,0.0,3.0,0.0,3.0,0.2294
InChI%3D1S%2FC6H18N3OP%2Fc1-7%282%2911%2810%2C8%283%294%299%285%296%2Fh1-6H3,3.0,50.0,0.3,10.0,0.0,161.059998512268,36.6,11.0,48.6675,0.0,3.6,1.97530864197531,3.0,11.0,10.0,0.0,4.0,0.0,4.0,0.7793
InChI%3D1S%2FC6H10N6O%2Fc1-12%282%2911-10-6-4%285%287%2913%298-3-9-6%2Fh3H%2C1-2H3%2C%28H2%2C7%2C13%29%28H%2C8%2C9%29,3.0,60.0,0.230769230769231,13.0,1.0,172.106997489929,99.73,11.0769230769231,45.3086,2.0,5.0242214532872,3.32409972299169,6.0,13.0,13.0,5.0,6.0,0.0,6.0,0.0689000000000001
InChI%3D1S%2FC35H45Cl2NO6%2Fc1-33-14-12-26%2839%2920-24%2833%298-11-27-28-13-15-35%2843%2C34%2828%2C2%2921-29%2840%2932%2827%2933%2930%2841%2922-44-31%2842%295-3-4-23-6-9-25%2810-7-23%2938%2818-16-36%2919-17-37%2Fh6-7%2C9-10%2C12%2C14%2C20%2C27-29%2C32%2C40%2C43H%2C3-5%2C8%2C11%2C13%2C15-19%2C21-22H2%2C1-2H3,13.0,240.0,0.270833333333333,48.0,0.0,601.291984558105,104.14,35.3107638888889,171.9546,2.0,14.6319444444444,6.95155709342561,23.0,44.0,48.0,6.0,7.0,0.0,7.0,5.41540000000001
InChI%3D1S%2FC8Cl4N2%2Fc9-5-3%281-13%296%2810%298%2812%297%2811%294%285%292-14,0.0,68.0,0.0,14.0,0.0,265.913993835449,47.58,12.0714285714286,55.912,0.0,4.68,2.02040816326531,5.0,14.0,14.0,6.0,2.0,0.0,2.0,4.04356
InChI%3D1S%2FC6H14N2O3%2Fc1-5%289%293-8%287-11%294-6%282%2910%2Fh5-6%2C9-10H%2C3-4H2%2C1-2H3,5.0,44.0,0.5,10.0,0.0,148.076996803284,73.13,11.0,40.7296,2.0,5.625,6.4,5.0,11.0,10.0,0.0,5.0,0.0,5.0,-0.2686
InChI%3D1S%2FC12H9NO2%2Fc14-13%2815%2911-7-6-9-5-4-8-2-1-3-10%2811%2912%288%299%2Fh1-3%2C6-7H%2C4-5H2,1.0,84.0,0.0588235294117647,17.0,0.0,190.136995315552,45.82,10.1730103806228,60.178,0.0,3.7856,1.55555555555556,5.0,15.0,17.0,11.0,2.0,0.0,0.0,3.3698
InChI%3D1S%2FC5H10ClN3O3%2Fc6-1-2-7-5%2811%299%288-12%293-4-10%2Fh10H%2C1-4H2%2C%28H%2C7%2C11%29,6.0,46.0,0.545454545454545,11.0,0.0,185.525996208191,85.49,12.0,45.2376,2.0,7.63888888888889,5.32544378698225,7.0,12.0,11.0,0.0,6.0,0.0,6.0,0.1149
InChI%3D1S%2FC3H7NO2%2Fc1-2-6-3%284%295%2Fh2H2%2C1H3%2C%28H2%2C4%2C5%29,2.0,20.0,0.4,5.0,0.0,82.0379981994629,53.31,6.0,21.9815,2.0,3.2,5.33333333333333,3.0,6.0,5.0,0.0,3.0,0.0,3.0,0.5157
InChI%3D1S%2FC4H8O%2Fc1-2-4-3-5-4%2Fh4H%2C2-3H2%2C1H3,1.0,22.0,0.2,5.0,1.0,64.0429983139038,12.53,3.2,20.031,0.0,1.0,0.326530612244898,2.0,5.0,5.0,0.0,1.0,0.0,1.0,0.7952
InChI%3D1S%2FC18H18Cl2N2O3%2Fc1-24-15-7-6-11%288-16%2815%2925-12-4-2-3-5-12%2918%2823%2922-17-13%2819%299-21-10-14%2817%2920%2Fh6-10%2C12H%2C2-5H2%2C1H3%2C%28H%2C21%2C22%2C23%29,5.0,128.0,0.185185185185185,27.0,1.0,363.114991188049,63.68,19.7530864197531,96.5842,1.0,9.27392257121987,5.04166666666667,11.0,25.0,27.0,12.0,4.0,0.0,4.0,4.3926
InChI%3D1S%2FC6H6N2O2%2Fc9-7-5-1-2-6%288-10%294-3-5%2Fh1-4%2C7%2C9H,2.0,44.0,0.2,10.0,0.0,132.077997207642,61.69,8.1,37.3062,2.0,4.0,2.28571428571429,6.0,10.0,10.0,6.0,4.0,0.0,4.0,1.8856
InChI%3D1S%2FC4H6N2O2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-2H%2C3-4H2,1.0,34.0,0.125,8.0,1.0,108.055997848511,41.9,6.125,25.3732,0.0,3.11111111111111,1.8,4.0,8.0,8.0,0.0,4.0,0.0,4.0,0.4091
InChI%3D1S%2FC21H16%2Fc1-13-6-7-15-12-20-17-5-3-2-4-14%2817%298-9-18%2820%2919-11-10-16%2813%2921%2815%2919%2Fh2-9%2C12H%2C10-11H2%2C1H3,0.0,126.0,0.0,25.0,0.0,252.230993270874,0.0,13.44,91.105,0.0,5.0,1.92627824019025,9.0,21.0,25.0,21.0,0.0,0.0,0.0,5.5532
InChI%3D1S%2FC7H7N3O2%2Fc1-10%289-12%297-4-2-6%288-11%293-5-7%2Fh2-5H%2C1H3,3.0,54.0,0.25,12.0,0.0,158.095996856689,62.1,10.0833333333333,46.095,0.0,4.88888888888889,2.77777777777778,7.0,12.0,12.0,6.0,5.0,0.0,5.0,2.2021
InChI%3D1S%2FC12H13N3O2%2Fc16-9-7-8%2813-1-2-13%2912%2817%2911%2815-5-6-15%2910%289%2914-3-4-14%2Fh7H%2C1-6H2,3.0,102.0,0.15,20.0,3.0,218.150995254517,43.17,10.88,53.1826,0.0,3.74609781477627,1.41964689904934,6.0,17.0,20.0,0.0,5.0,0.0,5.0,-1.0058
InChI%3D1S%2FC8H14O2%2Fc1-4-5-10-8%289%296-7%282%293%2Fh4%2C7H%2C1%2C5-6H2%2C2-3H3,5.0,38.0,0.555555555555556,9.0,0.0,128.085996627808,26.3,10.0,40.611,0.0,5.76,7.0,6.0,10.0,9.0,0.0,2.0,0.0,2.0,1.7617
InChI%3D1S%2FC9H4F3N3O4S%2Fc10-9%2811%2C12%297%2816%2914-8-13-4%283-20-8%295-1-2-6%2819-5%2915%2817%2918%2Fh1-3H%2C%28H%2C13%2C14%2C16%29,4.0,104.0,0.19047619047619,21.0,2.0,303.17699432373,132.68,16.3718820861678,64.4168,1.0,6.40582726326743,4.25,10.0,20.0,21.0,10.0,5.0,0.0,5.0,3.9848
InChI%3D1S%2FC9H8Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-2%2C5-6H%2C3-4H2,2.0,86.0,0.117647058823529,17.0,1.0,292.5299949646,62.68,12.4567474048443,62.8682,0.0,4.3491124260355,2.48828125,6.0,16.0,17.0,0.0,4.0,0.0,4.0,2.8514
InChI%3D1S%2FC2H6O%2Fc1-2-3%2Fh3H%2C2H2%2C1H3,0.0,6.0,0.0,2.0,0.0,40.0209989547729,20.23,3.0,12.7598,1.0,2.0,0.0,1.0,3.0,2.0,0.0,1.0,0.0,1.0,-0.00140000000000001
InChI%3D1S%2FC18H23NO6%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2924-9-13-4-6-19-7-5-14%2815%2813%2919%2925-16%2812%2921%2Fh3-4%2C14-15%2C20%2C23H%2C2%2C5-10H2%2C1H3,1.0,134.0,0.037037037037037,27.0,3.0,326.198991775513,97.5,19.7530864197531,87.1925,3.0,7.935,3.70408163265306,8.0,25.0,27.0,0.0,6.0,0.0,6.0,0.2374
InChI%3D1S%2FC12H12N2%2Fc13-11-5-1-9%282-6-11%2910-3-7-12%2814%298-4-10%2Fh1-8H%2C13-14H2,1.0,70.0,0.0666666666666667,15.0,0.0,172.14599609375,52.04,10.5155555555556,60.7028,2.0,4.68,2.75,8.0,14.0,15.0,12.0,2.0,0.0,2.0,2.518
InChI%3D1S%2FC32H24N6O16S4%2Fc33-19-11-17%2855%2843%2C44%2945%295-15-9-25%2857%2849%2C50%2951%2929%2831%2841%2927%2815%2919%2937-35-21-3-1-13%287-23%2821%2939%2914-2-4-22%2824%2840%298-14%2936-38-30-26%2858%2852%2C53%2954%2910-16-6-18%2856%2846%2C47%2948%2912-20%2834%2928%2816%2932%2830%2942%2Fh1-12%2C35-36%2C39-40H%2C33-34H2%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29%28H%2C49%2C50%2C51%29%28H%2C52%2C53%2C54%29,9.0,326.0,0.142857142857143,63.0,0.0,852.645988464355,437.74,47.4784580498866,199.1444,6.0,17.8752,10.52734375,26.0,58.0,63.0,24.0,18.0,4.0,22.0,5.1616
InChI%3D1S%2FC19H17N3%2Fc20-16-7-1-13%282-8-16%2919%2814-3-9-17%2821%2910-4-14%2915-5-11-18%2822%2912-6-15%2Fh1-12%2C20H%2C21-22H2,2.0,114.0,0.0833333333333333,24.0,0.0,270.22999382019,75.89,16.84375,93.7375,3.0,7.71349862258953,4.30839002267574,9.0,22.0,24.0,12.0,3.0,0.0,3.0,3.7987
InChI%3D1S%2FC5H9NO%2Fc7-6-5-3-1-2-4-5%2Fh7H%2C1-4H2,0.0,30.0,0.0,7.0,0.0,90.0609979629517,32.59,5.14285714285714,27.6895,1.0,2.34375,1.18518518518519,3.0,7.0,7.0,0.0,2.0,0.0,2.0,1.3906
InChI%3D1S%2FC12H12N2O%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,2.0,74.0,0.125,16.0,0.0,188.144995689392,61.27,11.484375,61.7828,2.0,5.36507936507936,3.5,9.0,15.0,16.0,12.0,3.0,0.0,3.0,2.6433
InChI%3D1S%2FC13H11NO2%2Fc1-15-13-6-9-8-4-2-3-5-11%288%2916-12%289%297-10%2813%2914%2Fh2-7H%2C14H2%2C1H3,1.0,88.0,0.0555555555555556,18.0,1.0,202.147994995117,48.39,11.1111111111111,64.6844,1.0,4.3491124260355,1.86121256391527,7.0,16.0,18.0,15.0,2.0,0.0,3.0,3.1768
InChI%3D1S%2FC12H10N2O%2Fc15-13-14%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H,3.0,72.0,0.1875,16.0,0.0,188.144995689392,32.67,11.484375,60.818,0.0,5.915,2.98224852071006,7.0,15.0,16.0,12.0,3.0,0.0,2.0,3.5061
InChI%3D1S%2FC10H10N2%2Fc11-9-5-1-3-7-8%289%294-2-6-10%287%2912%2Fh1-6H%2C11-12H2,0.0,62.0,0.0,13.0,0.0,148.123996734619,52.04,8.59171597633136,52.7728,2.0,3.39506172839506,1.5625,4.0,12.0,13.0,11.0,2.0,0.0,2.0,2.0042
InChI%3D1S%2FC4H9NO%2Fc1-3-4%282%295-6%2Fh6H%2C3H2%2C1-2H3,1.0,20.0,0.2,5.0,0.0,78.0499982833862,32.59,6.0,25.1865,1.0,3.2,3.0,3.0,6.0,5.0,0.0,2.0,0.0,2.0,1.2465
InChI%3D1S%2FC17H20N2O%2Fc1-18%282%2915-9-5-13%286-10-15%2917%2820%2914-7-11-16%2812-8-14%2919%283%294%2Fh5-12H%2C1-4H3,4.0,100.0,0.19047619047619,21.0,0.0,248.199994087219,23.55,16.3718820861678,84.9705,0.0,7.31985731272295,4.25,11.0,20.0,21.0,12.0,3.0,0.0,3.0,3.0496
InChI%3D1S%2FC2H4O%2Fc1-2-3%2Fh2H%2C1H3,0.0,6.0,0.0,2.0,0.0,40.0209989547729,17.07,3.0,11.738,0.0,2.0,0.0,1.0,3.0,2.0,0.0,1.0,0.0,1.0,0.2052
InChI%3D1S%2FC2H3Cl2F%2Fc1-2%283%2C4%295%2Fh1H3,0.0,20.0,0.0,4.0,0.0,113.925996780396,0.0,5.0,21.219,0.0,1.0,0.0,1.0,5.0,4.0,0.0,0.0,0.0,0.0,2.1072
InChI%3D1S%2FC8H18N2O2%2Fc1-2-3-6-10%289-12%297-4-5-8-11%2Fh11H%2C2-8H2%2C1H3,8.0,44.0,0.727272727272727,11.0,0.0,156.099996566772,52.9,12.0,48.5958,1.0,9.09090909090909,7.43801652892562,8.0,12.0,11.0,0.0,4.0,0.0,4.0,1.5424
InChI%3D1S%2FC12H19N3O%2Fc1-9%282%2915-12%2816%2911-6-4-10%285-7-11%298-14-13-3%2Fh4-7%2C9%2C13-14H%2C8H2%2C1-3H3%2C%28H%2C15%2C16%29,6.0,72.0,0.375,16.0,0.0,202.151995658875,53.16,14.0625,64.9436,3.0,7.35,5.26446280991736,10.0,16.0,16.0,6.0,4.0,0.0,4.0,1.0488
InChI%3D1S%2FC8H11N%2Fc1-9%282%298-6-4-3-5-7-8%2Fh3-7H%2C1-2H3,1.0,40.0,0.111111111111111,9.0,0.0,110.094997406006,3.24,7.11111111111111,40.769,0.0,3.2396694214876,2.0,4.0,9.0,9.0,6.0,1.0,0.0,1.0,1.7526
InChI%3D1S%2FC12H8O4%2Fc1-14-12-10-8%284-5-15-10%296-7-2-3-9%2813%2916-11%287%2912%2Fh2-6H%2C1H3,1.0,88.0,0.0555555555555556,18.0,2.0,208.127994537354,52.58,11.1111111111111,58.808,0.0,4.3491124260355,1.86121256391527,6.0,16.0,18.0,15.0,2.0,0.0,4.0,2.5478
InChI%3D1S%2FC4H7N3O2%2Fc1-2-3-7%286-9%294%285%298%2Fh2H%2C1%2C3H2%2C%28H2%2C5%2C8%29,4.0,34.0,0.5,8.0,0.0,122.062997817993,76.75,9.0,33.0535,2.0,4.83950617283951,3.55555555555556,4.0,9.0,8.0,0.0,5.0,0.0,5.0,0.6486
InChI%3D1S%2FC5H10N2O3%2Fc1-3-7%286-9%295%288%2910-4-2%2Fh3-4H2%2C1-2H3,5.0,38.0,0.555555555555556,9.0,0.0,136.065997123718,58.97,10.0,35.197,0.0,5.76,3.70247933884298,5.0,10.0,9.0,0.0,5.0,0.0,5.0,1.1462
InChI%3D1S%2FC10H10N4O3S%2Fc1-6%282%2912-13-10-11-7%285-18-10%298-3-4-9%2817-8%2914%2815%2916%2Fh3-5H%2C1-2H3%2C%28H%2C11%2C13%29,4.0,90.0,0.210526315789474,19.0,2.0,256.201996803284,124.48,14.409972299169,71.0437,1.0,6.43786982248521,3.99583766909469,10.0,18.0,19.0,10.0,5.0,0.0,5.0,3.6422
InChI%3D1S%2FC20H18ClNO6%2Fc1-10-7-12-14%2821%299-13%2817%2823%2916%2812%2920%2827%2928-10%2918%2824%2922-15%2819%2825%2926%298-11-5-3-2-4-6-11%2Fh2-6%2C9-10%2C15%2C23H%2C7-8H2%2C1H3%2C%28H%2C22%2C24%29%28H%2C25%2C26%29,5.0,146.0,0.166666666666667,30.0,1.0,385.673990249634,119.25,22.68,100.4916,2.0,9.87128177393186,5.3890306122449,13.0,28.0,30.0,12.0,6.0,1.0,7.0,1.8128
InChI%3D1S%2FC4H10N2O3%2Fc1-6%285-9%292-4%288%293-7%2Fh4%2C7-8H%2C2-3H2%2C1H3,4.0,34.0,0.5,8.0,0.0,124.054997444153,73.13,9.0,31.5176,2.0,4.83950617283951,4.5,5.0,9.0,8.0,0.0,5.0,0.0,5.0,-1.0472
InChI%3D1S%2FC11H11N5%2Fc1-6-5-13-7-3-4-8-10%289%287%2914-6%2915-11%2812%2916%288%292%2Fh3-5H%2C1-2H3%2C%28H2%2C12%2C15%29,0.0,90.0,0.0,18.0,2.0,202.155996322632,70.35,11.1111111111111,60.9574,2.0,4.03292181069959,1.76454293628809,6.0,16.0,18.0,15.0,3.0,0.0,4.0,1.2375
InChI%3D1S%2FC5H10Br2O2%2Fc6-1-5%282-7%2C3-8%294-9%2Fh8-9H%2C1-4H2,4.0,36.0,0.5,8.0,0.0,251.860996246338,40.46,9.0,44.1926,2.0,3.92,2.0,3.0,9.0,8.0,0.0,2.0,0.0,2.0,0.7472
InChI%3D1S%2FC16H16N4O4S%2Fc21-9-7-19%288-10-22%2916-11-3-1-2-4-12%2811%2917-15%2818-16%2913-5-6-14%2825-13%2920%2823%2924%2Fh1-6%2C21-22H%2C7-10H2,7.0,128.0,0.259259259259259,27.0,2.0,344.266994476318,143.54,19.7530864197531,98.0576,2.0,9.27392257121987,4.6464,10.0,25.0,27.0,16.0,7.0,0.0,6.0,2.5807
InChI%3D1S%2FC6H4N4O4%2Fc7-6-9-8-5%2814-6%293-1-2-4%2813-3%2910%2811%2912%2Fh1-2H%2C%28H2%2C7%2C9%29,2.0,72.0,0.133333333333333,15.0,2.0,192.089996337891,124.63,10.5155555555556,43.2324,2.0,4.24489795918367,2.34319526627219,7.0,14.0,15.0,10.0,4.0,0.0,4.0,1.1736
InChI%3D1S%2FC8H8N4O4%2Fc13-8-9-3-4-11%288%2910-5-6-1-2-7%2816-6%2912%2814%2915%2Fh1-2%2C5H%2C3-4H2%2C%28H%2C9%2C13%29,3.0,80.0,0.176470588235294,17.0,2.0,216.111995697021,107.15,12.4567474048443,51.7322,1.0,5.55765595463138,3.25,8.0,16.0,17.0,5.0,6.0,0.0,5.0,0.648
InChI%3D1S%2FC21H27NO7%2Fc1-6-15-11-13%282%2921%284%2C29-14%283%2923%2920%2826%2927-12-16-7-9-22%285%2910-8-17%2818%2816%2924%2928-19%2815%2925%2Fh6-7%2C11%2C13%2C17H%2C1%2C8-10%2C12H2%2C2-5H3,3.0,146.0,0.1,30.0,2.0,378.230990409851,100.41,25.2622222222222,102.4009,1.0,11.0394808004327,6.49108367626886,10.0,29.0,30.0,0.0,7.0,0.0,7.0,1.5084
InChI%3D1S%2FC3H3N%2Fc1-2-3-4%2Fh2H%2C1H2,0.0,10.0,0.0,3.0,0.0,50.0399990081787,23.79,4.0,15.81,0.0,3.0,4.0,2.0,4.0,3.0,0.0,1.0,0.0,1.0,0.69598
InChI%3D1S%2FC4H5Cl%2Fc1-3-4%282%295%2Fh3H%2C1-2H2,1.0,16.0,0.25,4.0,0.0,83.496997833252,0.0,5.0,25.19,0.0,2.25,4.0,2.0,5.0,4.0,0.0,0.0,0.0,0.0,1.9249
InChI%3D1S%2FC7H5N3O3S%2Fc8-7-9-4%283-14-7%295-1-2-6%2813-5%2910%2811%2912%2Fh1-3H%2C%28H2%2C8%2C9%29,2.0,72.0,0.133333333333333,15.0,2.0,206.161997795105,126.84,10.5155555555556,51.0484,2.0,4.24489795918367,2.34319526627219,7.0,14.0,15.0,10.0,3.0,0.0,3.0,2.2471
InChI%3D1S%2FC7H9NO%2Fc1-9-7-5-3-2-4-6%287%298%2Fh2-5H%2C8H2%2C1H3,1.0,40.0,0.111111111111111,9.0,0.0,114.082997322083,35.25,7.11111111111111,37.4064,1.0,3.2396694214876,1.70414201183432,4.0,9.0,9.0,6.0,2.0,0.0,2.0,1.2774
InChI%3D1S%2FC9H18N6O6%2Fc16-1-13%282-17%297-10-8%2814%283-18%294-19%2912-9%2811-7%2915%285-20%296-21%2Fh16-21H%2C1-6H2,9.0,96.0,0.428571428571429,21.0,1.0,288.134994506836,169.77,19.047619047619,69.7788,6.0,9.9039780521262,5.0,7.0,21.0,21.0,6.0,12.0,0.0,12.0,-4.0104
InChI%3D1S%2FC15H15N3O2%2Fc1-10-3-8-15%2820%2914%289-10%2918-17-13-6-4-12%285-7-13%2916-11%282%2919%2Fh3-9%2C17H%2C1-2H3%2C%28H%2C16%2C19%29,3.0,98.0,0.142857142857143,21.0,0.0,254.183994293213,74.05,16.3718820861678,80.8015,2.0,7.85204081632653,5.37890625,11.0,20.0,21.0,6.0,5.0,0.0,5.0,3.1476
InChI%3D1S%2FC13H28N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-13-15%282%2914-16%2Fh3-13H2%2C1-2H3,12.0,60.0,0.8,15.0,0.0,200.155995368958,32.67,16.0,70.269,0.0,13.0666666666667,13.0,13.0,16.0,15.0,0.0,3.0,0.0,3.0,4.5205
InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2,1.0,10.0,0.333333333333333,3.0,0.0,94.9279975891113,0.0,4.0,21.44,0.0,3.0,4.0,2.0,4.0,3.0,0.0,0.0,0.0,0.0,1.464
InChI%3D1S%2FC13H14O5%2Fc1-5-7%283%2918-4-8-9%285%296%282%2911%2814%2910%2812%288%2915%2913%2816%2917%2Fh4-5%2C7%2C16-17H%2C1-3H3,0.0,96.0,0.0,19.0,1.0,236.137993812561,83.83,14.409972299169,62.7916,2.0,5.17479191438763,2.28435455086258,7.0,18.0,19.0,0.0,5.0,0.0,5.0,1.721
InChI%3D1S%2FC14H8O5%2Fc15-8-5-9%2816%2914%2819%2911-10%288%2912%2817%296-3-1-2-4-7%286%2913%2811%2918%2Fh1-5%2C15-16%2C19H,0.0,106.0,0.0,21.0,0.0,248.148993492126,94.83,13.9591836734694,64.7434,3.0,5.080078125,2.08601177003169,7.0,19.0,21.0,12.0,5.0,0.0,5.0,1.5788
InChI%3D1S%2FC11H10N4%2Fc1-15-9-5-4-8-7%283-2-6-13-8%2910%289%2914-11%2815%2912%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29,0.0,84.0,0.0,17.0,2.0,188.148996353149,57.46,10.1730103806228,58.4254,2.0,3.7856,1.55555555555556,6.0,15.0,17.0,15.0,2.0,0.0,3.0,1.5341
InChI%3D1S%2FC17H23N3O%2Fc1-19%282%2912-13-20%2817-6-4-5-11-18-17%2914-15-7-9-16%2821-3%2910-8-15%2Fh4-11H%2C12-14H2%2C1-3H3,7.0,100.0,0.318181818181818,22.0,1.0,262.206994056702,29.8,17.3553719008264,88.0927,1.0,9.20918367346939,5.9504132231405,10.0,21.0,22.0,12.0,3.0,0.0,3.0,1.2413
InChI%3D1S%2FC12H6Cl4%2Fc13-7-1-3-9%2811%2815%295-7%2910-4-2-8%2814%296-12%2810%2916%2Fh1-6H,1.0,82.0,0.0588235294117647,17.0,0.0,285.943992614746,0.0,12.4567474048443,71.918,0.0,5.10416666666667,2.83111111111111,8.0,16.0,17.0,12.0,0.0,0.0,0.0,5.9672
InChI%3D1S%2FC18H25NO6%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2924-9-13-4-6-19-7-5-14%2815%2813%2919%2925-16%2812%2921%2Fh3-4%2C11%2C14-15%2C20%2C23H%2C5-10H2%2C1-2H3,1.0,134.0,0.037037037037037,27.0,3.0,326.198991775513,97.5,19.7530864197531,87.2165,3.0,7.935,3.70408163265306,8.0,25.0,27.0,0.0,6.0,0.0,6.0,0.317300000000001
InChI%3D1S%2FC5H8N2O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-2H%2C3-5H2,1.0,34.0,0.125,8.0,1.0,104.067997932434,32.67,6.125,28.9052,0.0,3.11111111111111,1.8,4.0,8.0,8.0,0.0,3.0,0.0,3.0,0.8676
InChI%3D1S%2FC17H17ClO3%2Fc1-17%282%2C16%2819%2920-3%2921-15-10-6-13%287-11-15%2912-4-8-14%2818%299-5-12%2Fh4-11H%2C1-3H3,5.0,106.0,0.227272727272727,22.0,0.0,287.636992454529,35.53,17.3553719008264,83.611,0.0,7.51300728407908,4.73338203067933,12.0,21.0,22.0,12.0,3.0,0.0,3.0,4.3374
InChI%3D1S%2FC6H7N3O%2Fc7-9-6%2810%295-1-3-8-4-2-5%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29,2.0,44.0,0.2,10.0,1.0,130.085997581482,68.01,8.1,35.8906,2.0,4.0,2.28571428571429,5.0,10.0,10.0,6.0,4.0,0.0,4.0,-0.3149
InChI%3D1S%2FC39H41N3O6S2%2Fc1-5-41%2827-29-9-7-11-37%2825-29%2949%2843%2C44%2945%2935-21-15-32%2816-22-35%2939%2831-13-19-34%2820-14-31%2940%283%294%2933-17-23-36%2824-18-33%2942%286-2%2928-30-10-8-12-38%2826-30%2950%2846%2C47%2948%2Fh7-26H%2C5-6%2C27-28H2%2C1-4H3%2C%28H-%2C43%2C44%2C45%2C46%2C47%2C48%29%2Fp%2B1,12.0,264.0,0.222222222222222,54.0,0.0,670.577987670898,140.65,41.1694101508916,196.6482,0.0,18.5562130177515,11.2753019575177,21.0,50.0,54.0,24.0,6.0,2.0,8.0,8.3504
InChI%3D1S%2FC18H25NO7%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2925-9-13-4-6-19%2824%297-5-14%2815%2813%2919%2926-16%2812%2921%2Fh3-4%2C11%2C14-15%2C20%2C23H%2C5-10H2%2C1-2H3,1.0,142.0,0.0357142857142857,28.0,3.0,342.197991371155,122.49,20.7270408163265,89.6208,2.0,7.78799351000541,3.68,8.0,26.0,28.0,0.0,7.0,0.0,7.0,0.136600000000001
InChI%3D1S%2FC20H14N2O10S3%2Fc23-16-7-5-11-9-12%2833%2824%2C25%2926%2910-18%2835%2830%2C31%2932%2919%2811%2920%2816%2922-21-15-6-8-17%2834%2827%2C28%2929%2914-4-2-1-3-13%2814%2915%2Fh1-10%2C21H%2C%28H%2C24%2C25%2C26%29%28H%2C27%2C28%2C29%29%28H%2C30%2C31%2C32%29,5.0,196.0,0.131578947368421,38.0,0.0,524.424993515015,238.2,28.0193905817175,118.6129,1.0,10.285,6.02770083102493,13.0,35.0,38.0,17.0,9.0,3.0,12.0,4.2066
InChI%3D1S%2FC8H8O%2Fc1-2-4-7%285-3-1%298-6-9-8%2Fh1-5%2C8H%2C6H2,1.0,46.0,0.1,10.0,1.0,112.086997032166,12.53,5.76,35.135,0.0,2.31952662721893,0.996539792387543,4.0,9.0,10.0,6.0,1.0,0.0,1.0,1.7579
InChI%3D1S%2FC8H14ClN5%2Fc1-4-10-7-12-6%289%2913-8%2814-7%2911-5%282%293%2Fh5H%2C4H2%2C1-3H3%2C%28H2%2C10%2C11%2C12%2C13%2C14%29,2.0,64.0,0.142857142857143,14.0,1.0,201.575996398926,69.19,12.0714285714286,54.7514,2.0,5.77777777777778,4.38781163434903,7.0,14.0,14.0,6.0,3.0,0.0,3.0,0.6209
InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2,5.0,50.0,0.454545454545455,11.0,0.0,295.869995117188,80.92,12.0,51.6152,4.0,5.61224489795918,3.515625,6.0,12.0,11.0,0.0,4.0,0.0,4.0,-0.7802
InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C8H%2C1H3,1.0,40.0,0.111111111111111,9.0,0.0,116.074996948242,29.46,7.11111111111111,34.6588,1.0,3.2396694214876,2.0,5.0,9.0,9.0,6.0,2.0,0.0,2.0,1.4008
InChI%3D1S%2FC16H12ClNO2%2Fc1-2-16%2820-15%2818%2919%2C12-6-4-3-5-7-12%2913-8-10-14%2817%2911-9-13%2Fh1%2C3-11H%2C%28H2%2C18%2C19%29,4.0,100.0,0.19047619047619,21.0,0.0,273.633993148804,53.31,16.3718820861678,78.9475,2.0,7.31985731272295,3.81440443213296,8.0,20.0,21.0,12.0,3.0,0.0,3.0,3.7262
InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh3H%2C1-2H3,0.0,16.0,0.0,4.0,0.0,83.496997833252,0.0,5.0,25.284,0.0,2.25,4.0,2.0,5.0,4.0,0.0,0.0,0.0,0.0,2.1489
InChI%3D1S%2FC8H18N2O%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh3-8H2%2C1-2H3,7.0,40.0,0.7,10.0,0.0,140.10099697113,32.67,11.0,47.184,0.0,8.1,6.4,7.0,11.0,10.0,0.0,3.0,0.0,3.0,2.57
InChI%3D1S%2FC4H10O3%2Fc5-1-3-7-4-2-6%2Fh5-6H%2C1-4H2,4.0,22.0,0.666666666666667,6.0,0.0,96.040997505188,49.69,7.0,24.9906,2.0,6.0,6.0,5.0,7.0,6.0,0.0,3.0,0.0,3.0,-1.0124
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,1.0,50.0,0.0909090909090909,11.0,0.0,142.09299659729,52.82,9.09090909090909,43.5046,2.0,4.13265306122449,3.26530612244898,6.0,11.0,11.0,6.0,3.0,0.0,3.0,2.0001
InChI%3D1S%2FC6H12ClN3O3%2Fc1-4%2811%293-8-6%2812%2910%289-13%295%282%297%2Fh4-5%2C11H%2C3H2%2C1-2H3%2C%28H%2C8%2C12%29,5.0,54.0,0.416666666666667,12.0,0.0,197.536995887756,85.49,13.0,49.5606,2.0,6.45333333333333,5.33333333333333,6.0,13.0,12.0,0.0,6.0,0.0,6.0,0.8494
InChI%3D1S%2FC10H13NO2%2Fc1-3-13-10-6-4-9%285-7-10%2911-8%282%2912%2Fh4-7H%2C3H2%2C1-2H3%2C%28H%2C11%2C12%29,3.0,58.0,0.230769230769231,13.0,0.0,166.114995956421,41.82,11.0769230769231,53.0088,1.0,5.671875,4.1522491349481,8.0,13.0,13.0,6.0,3.0,0.0,3.0,2.6932
InChI%3D1S%2FC14H18ClNO4S%2Fc1-9-5-10%282%298-16%287-9%2921%2819%2C20%2911-3-4-13%2815%2912%286-11%2914%2817%2918%2Fh3-4%2C6%2C9-10H%2C5%2C7-8H2%2C1-2H3%2C%28H%2C17%2C18%29,3.0,110.0,0.136363636363636,22.0,1.0,313.67699432373,85.89,17.3553719008264,75.9972,0.0,6.62993572084481,3.85484830458061,8.0,21.0,22.0,6.0,4.0,1.0,5.0,2.3888
InChI%3D1S%2FC11H23NO2%2Fc12-10-8-6-4-2-1-3-5-7-9-11%2813%2914%2Fh1-10%2C12H2%2C%28H%2C13%2C14%29,10.0,52.0,0.769230769230769,13.0,0.0,178.125995635986,67.77,14.0,57.1356,1.0,11.0769230769231,13.0909090909091,11.0,14.0,13.0,0.0,1.0,1.0,2.0,0.489099999999999
InChI%3D1S%2FC14H15N3%2Fc1-17%282%2914-10-8-13%289-11-14%2916-15-12-6-4-3-5-7-12%2Fh3-11H%2C1-2H3,3.0,82.0,0.166666666666667,18.0,0.0,210.174995422363,27.96,13.4320987654321,71.387,0.0,6.80529300567108,4.30178326474623,10.0,17.0,18.0,12.0,3.0,0.0,3.0,4.168
InChI%3D1S%2FC6H3N3O5%2Fc10-6-8-7-5%2814-6%293-1-2-4%2813-3%299%2811%2912%2Fh1-2H%2C%28H%2C8%2C10%29,2.0,72.0,0.133333333333333,15.0,2.0,194.08199596405,118.11,10.5155555555556,42.4868,1.0,4.24489795918367,2.34319526627219,7.0,14.0,15.0,10.0,5.0,0.0,5.0,1.4666
InChI%3D1S%2FC6H8N2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H%2C7-8H2,0.0,36.0,0.0,8.0,0.0,100.079998016357,52.04,6.125,35.2668,2.0,2.52,1.48760330578512,3.0,8.0,8.0,6.0,2.0,0.0,2.0,0.851
InChI%3D1S%2FC23H31NO2%2Fc1-6-22%2826-19%283%2925%2923%2817-18%282%2924%284%295%2C20-13-9-7-10-14-20%2921-15-11-8-12-16-21%2Fh7-16%2C18%2C22H%2C6%2C17H2%2C1-5H3,9.0,128.0,0.333333333333333,27.0,0.0,322.257991790771,30.74,22.2908093278464,108.5327,1.0,10.518626734843,5.51770095793419,7.0,26.0,27.0,12.0,2.0,0.0,2.0,3.2375
InChI%3D1S%2FC5H11N3O2%2Fc1-4%282%293-8%287-10%295%286%299%2Fh4H%2C3H2%2C1-2H3%2C%28H2%2C6%2C9%29,4.0,40.0,0.444444444444444,9.0,0.0,134.073997497559,76.75,10.0,37.6945,2.0,4.7603305785124,4.48,4.0,10.0,9.0,0.0,5.0,0.0,5.0,1.1186
InChI%3D1S%2FC5H4O2%2Fc6-4-5-2-1-3-7-5%2Fh1-4H,1.0,30.0,0.142857142857143,7.0,1.0,92.0529975891113,30.21,5.14285714285714,24.0955,0.0,2.34375,1.18518518518519,3.0,7.0,7.0,5.0,1.0,0.0,2.0,1.0921
InChI%3D1S%2FC13H18Cl2N2O2%2Fc14-5-7-17%288-6-15%2911-3-1-10%282-4-11%299-12%2816%2913%2818%2919%2Fh1-4%2C12H%2C5-9%2C16H2%2C%28H%2C18%2C19%29,8.0,86.0,0.421052631578947,19.0,0.0,287.06099319458,71.01,17.0526315789474,78.3026,1.0,9.03125,5.87755102040816,10.0,19.0,19.0,6.0,2.0,1.0,3.0,-0.1265
InChI%3D1S%2FC9H14O%2Fc1-7-4-8%2810%296-9%282%2C3%295-7%2Fh4H%2C5-6H2%2C1-3H3,0.0,50.0,0.0,10.0,0.0,124.097996711731,17.07,8.1,41.779,0.0,2.56,2.28571428571429,3.0,10.0,10.0,0.0,1.0,0.0,1.0,2.3218
InChI%3D1S%2FC19H18N2O7S2%2Fc1-10-6-12%283%2916%287-11%2810%292%2920-21-18-15-5-4-14%2829%2823%2C24%2925%298-13%2815%299-17%2819%2818%2922%2930%2826%2C27%2928%2Fh4-9%2C22H%2C1-3H3%2C%28H%2C23%2C24%2C25%29%28H%2C26%2C27%2C28%29,4.0,164.0,0.125,32.0,0.0,432.34999370575,176.11,24.638671875,106.4566,1.0,9.0944,5.50676378772112,12.0,30.0,32.0,17.0,7.0,2.0,9.0,5.8558
InChI%3D1S%2FC9H4Cl6O4%2Fc10-3-4%2811%298%2813%292%286%2818%2919%291%285%2816%2917%297%283%2C12%299%288%2C14%2915%2Fh1-2H%2C%28H%2C16%2C17%29%28H%2C18%2C19%29,2.0,112.0,0.1,20.0,0.0,384.812990188599,80.26,15.39,68.704,0.0,4.01388888888889,1.36979785969084,5.0,19.0,20.0,0.0,2.0,2.0,4.0,0.5641
InChI%3D1S%2FC7H15N3O2%2Fc1-2-3-4-5-6-10%289-12%297%288%2911%2Fh2-6H2%2C1H3%2C%28H2%2C8%2C11%29,7.0,46.0,0.636363636363636,11.0,0.0,158.095996856689,76.75,12.0,46.9985,2.0,7.63888888888889,6.25,7.0,12.0,11.0,0.0,5.0,0.0,5.0,2.0429
InChI%3D1S%2FC7H14N4O4%2Fc1-11%2810-15%297%2814%299-4-2-3-5%288%296%2812%2913%2Fh5H%2C2-4%2C8H2%2C1H3%2C%28H%2C9%2C14%29%28H%2C12%2C13%29,7.0,62.0,0.5,14.0,0.0,204.100996017456,133.03,15.0,52.2264,2.0,8.18685121107266,6.9757785467128,9.0,15.0,14.0,0.0,6.0,1.0,7.0,-2.3458
InChI%3D1S%2FC12H14N2O%2Fc1-9-8-12%282%2C3%2914%2813-15%2911-7-5-4-6-10%289%2911%2Fh4-8H%2C1-3H3,1.0,80.0,0.0625,16.0,1.0,188.144995689392,32.67,11.484375,59.2462,0.0,4.10763888888889,1.96875,5.0,15.0,16.0,6.0,3.0,0.0,3.0,3.4349
InChI%3D1S%2FC10H9N%2Fc11-10-6-5-8-3-1-2-4-9%288%297-10%2Fh1-7H%2C11H2,0.0,56.0,0.0,12.0,0.0,134.116996765137,26.02,7.63888888888889,48.3604,1.0,3.1640625,1.6,5.0,11.0,12.0,11.0,1.0,0.0,1.0,2.422
InChI%3D1S%2FC11H7N3O3%2Fc15-14%2816%2911-5-4-9%2817-11%298-7-12-10-3-1-2-6-13%288%2910%2Fh1-7H,2.0,92.0,0.105263157894737,19.0,3.0,222.138995170593,76.26,12.0554016620499,61.716,0.0,4.93827160493827,2.29072315558802,8.0,17.0,19.0,15.0,3.0,0.0,3.0,3.0257
InChI%3D1S%2FC39H59Cl2NO2%2Fc1-27%282%297-6-8-28%283%2934-15-16-35-33-14-11-30-26-32%2817-19-38%2830%2C4%2936%2833%2918-20-39%2834%2C35%295%2944-37%2843%2925-29-9-12-31%2813-10-29%2942%2823-21-40%2924-22-41%2Fh9-13%2C27-28%2C32-36H%2C6-8%2C14-26H2%2C1-5H3,14.0,236.0,0.291666666666667,48.0,0.0,585.339984893799,29.54,35.3107638888889,186.725,0.0,15.48,7.84765625,24.0,44.0,48.0,6.0,3.0,0.0,3.0,10.4663
InChI%3D1S%2FC8H15N3O7%2Fc1-11%2810-18%298%2817%299-4%282-12%296%2815%297%2816%295%2814%293-13%2Fh2%2C4-7%2C13-16H%2C3H2%2C1H3%2C%28H%2C9%2C17%29,8.0,78.0,0.470588235294118,17.0,0.0,250.101994514465,163.25,18.0,58.58,5.0,8.99173553719008,5.68047337278106,9.0,18.0,17.0,0.0,10.0,0.0,10.0,-2.8439
InChI%3D1S%2FC19H30O5%2Fc1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18%2823-15-24-19%2912-16%2817%296-4-2%2Fh12-13H%2C3-11%2C14-15H2%2C1-2H3,13.0,110.0,0.52,25.0,1.0,308.203991889954,46.15,20.3136,92.762,0.0,12.3688888888889,7.42439737034332,15.0,24.0,25.0,6.0,5.0,0.0,5.0,3.7177
InChI%3D1S%2FC4H8N2O%2Fc7-5-6-3-1-2-4-6%2Fh1-4H2,1.0,30.0,0.142857142857143,7.0,1.0,92.0569982528687,32.67,5.14285714285714,24.3822,0.0,2.34375,1.18518518518519,3.0,7.0,7.0,0.0,3.0,0.0,3.0,0.7015
InChI%3D1S%2FC4H8N2O2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-4H2,1.0,34.0,0.125,8.0,1.0,108.055997848511,41.9,6.125,25.4672,0.0,3.11111111111111,1.8,4.0,8.0,8.0,0.0,4.0,0.0,4.0,0.6331
InChI%3D1S%2FC12H24N2O%2Fc15-13-14-11-9-7-5-3-1-2-4-6-8-10-12-14%2Fh1-12H2,1.0,62.0,0.0666666666666667,15.0,1.0,188.144995689392,32.67,13.0666666666667,61.3182,0.0,9.2421875,6.9757785467128,7.0,15.0,15.0,0.0,3.0,0.0,3.0,3.8223
InChI%3D1S%2FC13H12F2N6O%2Fc14-10-1-2-11%2812%2815%293-10%2913%2822%2C4-20-8-16-6-18-20%295-21-9-17-7-19-21%2Fh1-3%2C6-9%2C22H%2C4-5H2,5.0,116.0,0.208333333333333,24.0,2.0,294.179993629456,81.65,16.84375,70.2988,1.0,7.26643598615917,4.11032990805841,8.0,22.0,24.0,16.0,5.0,0.0,7.0,0.735799999999999
InChI%3D1S%2FC6H6N4O4%2Fc7-6%2811%299-8-3-4-1-2-5%2814-4%2910%2812%2913%2Fh1-3H%2C%28H3%2C7%2C9%2C11%29,4.0,64.0,0.285714285714286,14.0,1.0,192.089996337891,127.43,12.0714285714286,48.6152,3.0,5.77777777777778,4.38781163434903,8.0,14.0,14.0,5.0,6.0,0.0,5.0,1.1273
InChI%3D1S%2FC13H17N3O2%2Fc1-10-8-15%2814-18%299-11%282%2916%2810%2913%2817%2912-6-4-3-5-7-12%2Fh3-7%2C10-11H%2C8-9H2%2C1-2H3,3.0,90.0,0.157894736842105,19.0,1.0,230.161994934082,52.98,14.409972299169,64.4639,0.0,6.43786982248521,3.32179930795848,9.0,18.0,19.0,6.0,5.0,0.0,5.0,1.7786
InChI%3D1S%2FC11H10N6O5%2Fc1-5%2818%2912-10-14-9%2815-11%2816-10%2913-6%282%2919%297-3-4-8%2822-7%2917%2820%2921%2Fh3-4H%2C1-2H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%2C18%2C19%29,4.0,110.0,0.173913043478261,23.0,2.0,296.157994270325,162.81,18.3402646502836,77.1466,2.0,8.203125,5.55149744338934,9.0,22.0,23.0,11.0,9.0,0.0,8.0,2.7788
InChI%3D1S%2FC12H10Cl2N2%2Fc13-9-5-7%281-3-11%289%2915%298-2-4-12%2816%2910%2814%296-8%2Fh1-6H%2C15-16H2,1.0,82.0,0.0588235294117647,17.0,0.0,243.05199432373,52.04,12.4567474048443,70.7228,2.0,5.10416666666667,2.83111111111111,8.0,16.0,17.0,12.0,2.0,0.0,2.0,3.8248
InChI%3D1S%2FC7H7NO2%2Fc1-6-2-4-7%285-3-6%298%289%2910%2Fh2-5H%2C1H3,1.0,46.0,0.1,10.0,0.0,130.081996917725,45.82,8.1,40.001,0.0,3.40828402366864,2.28571428571429,5.0,10.0,10.0,6.0,2.0,0.0,0.0,2.4264
InChI%3D1S%2FC10Cl12%2Fc11-1-2%2812%297%2817%294%2814%293%2813%2C5%281%2C15%299%287%2C19%2920%296%281%2C16%2910%2821%2C22%298%282%2C4%2918,0.0,172.0,0.0,26.0,0.0,545.545986175537,0.0,14.3520710059172,97.546,0.0,2.33333333333333,0.478710002519526,5.0,22.0,26.0,0.0,0.0,0.0,0.0,6.223
InChI%3D1S%2FC12H12N2O3%2Fc1-3-14-6-9%2812%2816%2917%2910%2815%298-5-4-7%282%2913-11%288%2914%2Fh4-6H%2C3H2%2C1-2H3%2C%28H%2C16%2C17%29,2.0,88.0,0.111111111111111,18.0,2.0,220.142994880676,75.02,13.4320987654321,61.431,0.0,5.32544378698225,2.56,7.0,17.0,18.0,11.0,3.0,1.0,5.0,0.0883
InChI%3D1S%2FC7H6N4O3S%2Fc8-10-7-9-4%283-15-7%295-1-2-6%2814-5%2911%2812%2913%2Fh1-3H%2C8H2%2C%28H%2C9%2C10%29,3.0,76.0,0.1875,16.0,2.0,220.168997764587,138.14,11.484375,56.4481,2.0,4.88842975206612,2.57142857142857,8.0,15.0,16.0,10.0,5.0,0.0,5.0,2.1201
InChI%3D1S%2FC5H8O2%2Fc1-3-5%286%297-4-2%2Fh3H%2C1%2C4H2%2C2H3,3.0,24.0,0.5,6.0,0.0,92.0529975891113,26.3,7.0,26.83,0.0,4.16666666666667,3.84,4.0,7.0,6.0,0.0,2.0,0.0,2.0,0.7355
InChI%3D1S%2FC5H11Cl2N%2Fc1-8%284-2-6%295-3-7%2Fh2-5H2%2C1H3,4.0,28.0,0.571428571428571,7.0,0.0,144.96799659729,4.44,8.0,40.1947,1.0,5.14285714285714,5.0,5.0,8.0,7.0,0.0,0.0,0.0,0.0,-0.0213
InChI%3D1S%2FC4H10N2O3%2Fc7-3-1-6%285-9%292-4-8%2Fh7-8H%2C1-4H2,5.0,32.0,0.625,8.0,0.0,124.054997444153,73.13,9.0,31.5396,2.0,6.125,4.5,5.0,9.0,8.0,0.0,5.0,0.0,5.0,-1.0456
InChI%3D1S%2FC34H59NO15%2Fc1-5-6-9-20%283%2932%2850-31%2844%2917-23%2834%2847%2948%2915-29%2841%2942%2927%2849-30%2843%2916-22%2833%2845%2946%2914-28%2839%2940%2913-19%282%2912-24%2836%2910-7-8-11-25%2837%2918-26%2838%2921%284%2935%2Fh19-27%2C32%2C36-38H%2C5-18%2C35H2%2C1-4H3%2C%28H%2C39%2C40%29%28H%2C41%2C42%29%28H%2C45%2C46%29%28H%2C47%2C48%29,31.0,226.0,0.63265306122449,49.0,0.0,662.365983009338,301.45,50.0,170.6585,4.0,27.5625,24.1229672532858,20.0,50.0,49.0,0.0,11.0,4.0,15.0,-3.49139999999999
InChI%3D1S%2FC6H12N2O3%2Fc1-2-3-8%287-11%294-6%2810%295-9%2Fh2%2C6%2C9-10H%2C1%2C3-5H2,6.0,42.0,0.6,10.0,0.0,148.076996803284,73.13,11.0,40.6576,2.0,6.69421487603306,5.28925619834711,6.0,11.0,10.0,0.0,5.0,0.0,5.0,-0.491
InChI%3D1S%2FC21H30O3%2Fc1-13%2822%2924-15-8-10-20%282%2914%2812-15%294-5-16-17-6-7-19%2823%2921%2817%2C3%2911-9-18%2816%2920%2Fh4%2C15-18H%2C5-12H2%2C1-3H3,2.0,140.0,0.0740740740740741,27.0,0.0,300.2279920578,43.37,17.4156378600823,92.264,0.0,6.02055164954029,2.64412070759625,11.0,24.0,27.0,0.0,3.0,0.0,3.0,4.45
InChI%3D1S%2FC12H4Cl4O2%2Fc13-5-1-9-10%282-6%285%2914%2918-12-4-8%2816%297%2815%293-11%2812%2917-9%2Fh1-4H,0.0,100.0,0.0,20.0,1.0,317.94199180603,18.46,13.005,73.072,0.0,4.83555555555556,2.4,8.0,18.0,20.0,12.0,2.0,0.0,2.0,6.1982
InChI%3D1S%2FC14H7Br2NO2%2Fc15-8-5-9%2816%2912%2817%2911-10%288%2913%2818%296-3-1-2-4-7%286%2914%2811%2919%2Fh1-5H%2C17H2,0.0,106.0,0.0,21.0,0.0,373.966993331909,60.16,13.9591836734694,79.5614,1.0,5.080078125,2.08601177003169,7.0,19.0,21.0,12.0,3.0,0.0,3.0,3.5692
InChI%3D1S%2FC4H4N2OS%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29,0.0,36.0,0.0,8.0,1.0,124.123999595642,84.81,6.125,30.9488,2.0,2.52,1.8,3.0,8.0,8.0,6.0,4.0,0.0,4.0,0.4709
InChI%3D1S%2FC9H16ClN3O7%2Fc10-1-2-13%2812-19%299%2818%2911-5-7%2816%296%2815%294%283-14%2920-8%285%2917%2Fh4-8%2C14-17H%2C1-3H2%2C%28H%2C11%2C18%29,6.0,94.0,0.3,20.0,1.0,297.565993309021,155.41,18.05,67.052,5.0,8.44444444444444,4.49632653061224,10.0,20.0,20.0,0.0,10.0,0.0,10.0,-2.0775
InChI%3D1S%2FC6H8O%2Fc1-2-3-4-5-6-7%2Fh2-6H%2C1H3,2.0,22.0,0.333333333333333,6.0,0.0,88.0649976730347,17.07,7.0,30.018,0.0,6.0,6.0,5.0,7.0,6.0,0.0,1.0,0.0,1.0,1.3176
InChI%3D1S%2FC3H5N3O%2Fc1-2-6%283-4%295-7%2Fh2H2%2C1H3,2.0,24.0,0.333333333333333,6.0,0.0,94.0529985427856,56.46,7.0,23.788,0.0,4.16666666666667,2.66666666666667,3.0,7.0,6.0,0.0,4.0,0.0,4.0,0.47078
InChI%3D1S%2FC3H8N2O%2Fc1-3-5%282%294-6%2Fh3H2%2C1-2H3,2.0,20.0,0.4,5.0,0.0,80.0459985733032,32.67,6.0,24.099,0.0,3.2,3.0,3.0,6.0,5.0,0.0,3.0,0.0,3.0,0.6195
InChI%3D1S%2FC13H14Cl2O3%2Fc1-12%282%2C11%2816%2917%2918-9-5-3-8%284-6-9%2910-7-13%2810%2C14%2915%2Fh3-6%2C10H%2C7H2%2C1-2H3%2C%28H%2C16%2C17%29,4.0,98.0,0.210526315789474,19.0,0.0,275.045992851257,49.36,14.409972299169,68.6375,0.0,4.83555555555556,2.96296296296296,9.0,18.0,19.0,6.0,2.0,1.0,3.0,2.2551
InChI%3D1S%2FC12H9NO%2Fc13-8-5-6-10-9-3-1-2-4-11%289%2914-12%2810%297-8%2Fh1-7H%2C13H2,0.0,78.0,0.0,16.0,1.0,174.13799571991,39.16,9.2421875,58.1324,1.0,3.53875236294896,1.546875,6.0,14.0,16.0,15.0,1.0,0.0,2.0,3.1682
InChI%3D1S%2FC2H6N2O2%2Fc1-3%282%294%285%296%2Fh1-2H3,1.0,22.0,0.2,5.0,0.0,84.0339984893799,49.06,6.0,22.849,0.0,2.22222222222222,3.0,2.0,6.0,5.0,0.0,3.0,0.0,1.0,0.2629
InChI%3D1S%2FC15H23ClO4S%2Fc1-12%2820-21%2817%2919-10-9-16%2911-18-14-7-5-13%286-8-14%2915%282%2C3%294%2Fh5-8%2C12H%2C9-11H2%2C1-4H3,9.0,98.0,0.428571428571429,21.0,0.0,311.680994033813,63.97,19.047619047619,86.1335,0.0,9.20918367346939,7.705112960761,13.0,21.0,21.0,6.0,4.0,0.0,4.0,4.4678
InChI%3D1S%2FC17H22N2O%2Fc1-17%2820-14-13-19%282%293%2C15-9-5-4-6-10-15%2916-11-7-8-12-18-16%2Fh4-12H%2C13-14H2%2C1-3H3,6.0,98.0,0.285714285714286,21.0,1.0,248.199994087219,26.56,16.3718820861678,82.8967,1.0,7.85204081632653,4.49632653061224,8.0,20.0,21.0,12.0,2.0,0.0,2.0,1.5062
InChI%3D1S%2FC6H11N3O3%2Fc1-3-9%288-12%296%2811%297-4-5%282%2910%2Fh3-4H2%2C1-2H3%2C%28H%2C7%2C11%29,5.0,48.0,0.454545454545455,11.0,0.0,162.083996772766,82.33,12.0,43.7868,1.0,6.50887573964497,5.32544378698225,6.0,12.0,11.0,0.0,6.0,0.0,6.0,0.4927
InChI%3D1S%2FC11H11N3O3%2Fc12-10%2815%296-9-11%2816%2917-13-14%289%297-8-4-2-1-3-5-8%2Fh1-5H%2C6-7H2%2C%28H2-%2C12%2C13%2C15%2C16%29%2Fp%2B1,4.0,84.0,0.222222222222222,18.0,1.0,222.138995170593,95.27,13.4320987654321,60.1683,3.0,6.25,3.72889417360285,8.0,17.0,18.0,11.0,4.0,0.0,6.0,1.5889
InChI%3D1S%2FC2Cl2%2Fc3-1-2-4,0.0,10.0,0.0,3.0,0.0,94.9279975891113,0.0,4.0,19.482,0.0,3.0,4.0,2.0,4.0,3.0,0.0,0.0,0.0,0.0,1.3824
InChI%3D1S%2FC37H36N2O6S2%2Fc1-3-38%2826-28-10-8-14-35%2824-28%2946%2840%2C41%2942%2933-20-16-31%2817-21-33%2937%2830-12-6-5-7-13-30%2932-18-22-34%2823-19-32%2939%284-2%2927-29-11-9-15-36%2825-29%2947%2843%2C44%2945%2Fh5-25H%2C3-4%2C26-27H2%2C1-2H3%2C%28H-%2C40%2C41%2C42%2C43%2C44%2C45%29%2Fp%2B1,11.0,248.0,0.215686274509804,51.0,0.0,632.548988342285,137.41,38.2360630526721,182.3212,0.0,17.4798273597298,10.5217391304348,21.0,47.0,51.0,24.0,5.0,2.0,7.0,8.2844
InChI%3D1S%2FC20H14N2O10S3%2Fc23-20-18%2835%2830%2C31%2932%2910-11-9-12%2833%2824%2C25%2926%295-6-13%2811%2919%2820%2922-21-16-7-8-17%2834%2827%2C28%2929%2915-4-2-1-3-14%2815%2916%2Fh1-10%2C21H%2C%28H%2C24%2C25%2C26%29%28H%2C27%2C28%2C29%29%28H%2C30%2C31%2C32%29,5.0,196.0,0.131578947368421,38.0,0.0,524.424993515015,238.2,28.0193905817175,119.2899,1.0,10.285,6.02770083102493,13.0,35.0,38.0,17.0,9.0,3.0,12.0,4.1754
InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-4-10-14%2812%2911%286-3-9%295-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29,5.0,64.0,0.357142857142857,14.0,1.0,245.968996047974,51.38,12.0714285714286,56.9714,1.0,5.77777777777778,3.27272727272727,7.0,14.0,14.0,0.0,4.0,0.0,4.0,1.8219
InChI%3D1S%2FC10H10O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh2%2C4-6H%2C1%2C3%2C7H2,2.0,60.0,0.153846153846154,13.0,1.0,152.107995986938,18.46,8.59171597633136,46.466,0.0,3.80622837370242,1.8595041322314,6.0,12.0,13.0,6.0,2.0,0.0,2.0,2.1438
InChI%3D1S%2FC10H12N4O5%2Fc15-6-5-12-3-4-13%2810%2812%2916%2911-7-8-1-2-9%2819-8%2914%2817%2918%2Fh1-2%2C7%2C15H%2C3-6H2,5.0,94.0,0.25,20.0,2.0,256.132994651794,115.1,15.39,61.4452,1.0,7.1358024691358,3.98615916955017,11.0,19.0,20.0,5.0,7.0,0.0,6.0,0.6506
InChI%3D1S%2FC7H9N%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5H%2C8H2%2C1H3,0.0,36.0,0.0,8.0,0.0,98.0839977264404,26.02,6.125,35.5914,1.0,2.52,1.48760330578512,3.0,8.0,8.0,6.0,1.0,0.0,1.0,1.5772
InChI%3D1S%2FC4H8N2O2%2Fc7-4-1-2-6%283-4%295-8%2Fh4%2C7H%2C1-3H2,1.0,36.0,0.125,8.0,1.0,108.055997848511,52.9,6.125,25.772,1.0,2.52,1.48760330578512,4.0,8.0,8.0,0.0,4.0,0.0,4.0,-0.3277
InChI%3D1S%2FC6H14N2O4%2Fc1-5%2810%292-8%287-12%293-6%2811%294-9%2Fh5-6%2C9-11H%2C2-4H2%2C1H3,6.0,48.0,0.545454545454545,11.0,0.0,164.075996398926,93.36,12.0,42.1414,3.0,6.50887573964497,6.25,6.0,12.0,11.0,0.0,6.0,0.0,6.0,-1.2962
InChI%3D1S%2FC15H13NO%2Fc1-10%2817%2916-13-6-7-15-12%289-13%298-11-4-2-3-5-14%2811%2915%2Fh2-7%2C9H%2C8H2%2C1H3%2C%28H%2C16%2C17%29,1.0,92.0,0.0526315789473684,19.0,0.0,210.170994758606,32.59,12.0554016620499,70.0818,1.0,4.93827160493827,2.41975308641975,8.0,17.0,19.0,12.0,2.0,0.0,2.0,3.8657
InChI%3D1S%2FC19H20O4%2Fc1-2-3-13-22-18%2820%2916-11-7-8-12-17%2816%2919%2821%2923-14-15-9-5-4-6-10-15%2Fh4-12H%2C2-3%2C13-14H2%2C1H3,9.0,108.0,0.375,24.0,0.0,292.204992294312,52.6,19.3263888888889,87.194,0.0,10.78,6.42804967129291,13.0,23.0,24.0,12.0,4.0,0.0,4.0,4.0005
InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3,1.0,34.0,0.125,8.0,0.0,96.0879974365234,0.0,6.125,35.82,0.0,3.11111111111111,1.8,4.0,8.0,8.0,6.0,0.0,0.0,0.0,2.249
InChI%3D1S%2FC7H7NO%2Fc1-6-4-2-3-5-7%286%298-9%2Fh2-5H%2C1H3,1.0,40.0,0.111111111111111,9.0,0.0,114.082997322083,29.43,7.11111111111111,36.634,0.0,3.2396694214876,1.70414201183432,4.0,9.0,9.0,6.0,2.0,0.0,2.0,2.3929
InChI%3D1S%2FC4H6%2Fc1-3-4-2%2Fh3-4H%2C1-2H2,1.0,10.0,0.333333333333333,3.0,0.0,48.0439987182617,0.0,4.0,20.394,0.0,3.0,4.0,2.0,4.0,3.0,0.0,0.0,0.0,0.0,1.3584
InChI%3D1S%2FC22H28O3%2Fc1-4-22%2825-14%282%2923%2912-10-20-19-7-5-15-13-16%2824%296-8-17%2815%2918%2819%299-11-21%2820%2C22%293%2Fh1%2C13%2C17-20H%2C5-12H2%2C2-3H3,2.0,144.0,0.0714285714285714,28.0,0.0,312.238991737366,43.37,18.3673469387755,95.423,0.0,6.55785123966942,2.74934911242604,11.0,25.0,28.0,0.0,3.0,0.0,3.0,4.0633
InChI%3D1S%2FC12H10ClNO%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C14H2,2.0,74.0,0.125,16.0,0.0,209.5909948349,35.25,11.484375,62.3804,1.0,5.36507936507936,3.5,9.0,15.0,16.0,12.0,2.0,0.0,2.0,3.7145
InChI%3D1S%2FC2HCl2F3%2Fc3-1%284%292%285%2C6%297%2Fh1H,1.0,30.0,0.166666666666667,6.0,0.0,151.921995162964,0.0,7.0,21.549,0.0,1.85185185185185,2.66666666666667,2.0,7.0,6.0,0.0,0.0,0.0,0.0,2.3524
InChI%3D1S%2FC15H10F3NO%2Fc16-15%2817%2C18%2914%2820%2919-11-5-6-13-10%288-11%297-9-3-1-2-4-12%289%2913%2Fh1-6%2C8H%2C7H2%2C%28H%2C19%2C20%29,3.0,110.0,0.136363636363636,22.0,0.0,267.164992332458,29.1,14.9173553719008,69.3687,1.0,5.65289256198347,3.12244897959184,9.0,20.0,22.0,12.0,2.0,0.0,2.0,3.7586
InChI%3D1S%2FCH3NO2%2Fc1-2%283%294%2Fh1H3,0.0,12.0,0.0,3.0,0.0,58.015998840332,45.82,4.0,15.086,0.0,1.33333333333333,0.0,1.0,4.0,3.0,0.0,2.0,0.0,0.0,0.4161
InChI%3D1S%2FC20H16O8%2Fc1-23-10-7-11-13%288-4-5-26-20%288%2927-11%2918-15%2810%2916%2822%2914-9%2821%296-12%2824-2%2917%2825-3%2919%2814%2928-18%2Fh4-8%2C20-21H%2C1-3H3,3.0,162.0,0.09375,32.0,3.0,368.211990356445,96.59,19.93359375,98.6928,1.0,7.6018325697626,2.92590027700831,9.0,28.0,32.0,16.0,7.0,0.0,8.0,3.0236
InChI%3D1S%2FC10H13N3O%2Fc14-12-13-7-2-1-5-10%2813%299-4-3-6-11-8-9%2Fh3-4%2C6%2C8%2C10H%2C1-2%2C5%2C7H2,2.0,68.0,0.133333333333333,15.0,2.0,178.129996299744,45.56,10.5155555555556,51.1102,0.0,5.18559556786704,2.5344,6.0,14.0,15.0,6.0,4.0,0.0,4.0,2.2279
InChI%3D1S%2FC6H6N2O3%2Fc7-5-2-1-4%288%2810%2911%293-6%285%299%2Fh1-3%2C9H%2C7H2,1.0,52.0,0.0909090909090909,11.0,0.0,148.076996803284,92.07,9.09090909090909,41.3412,2.0,3.6,2.21453287197232,5.0,11.0,11.0,6.0,4.0,0.0,2.0,1.4058
InChI%3D1S%2FC18H14N4O5S%2Fc23-16-9-6-13%2811-15%2816%2918%2824%2925%2921-20-12-4-7-14%288-5-12%2928%2826%2C27%2922-17-3-1-2-10-19-17%2Fh1-11%2C20H%2C%28H%2C19%2C22%29%28H%2C24%2C25%29,6.0,144.0,0.2,30.0,1.0,384.287993431091,149.03,22.68,100.5129,2.0,10.3469387755102,6.49750096116878,15.0,28.0,30.0,12.0,8.0,1.0,9.0,1.5463
InChI%3D1S%2FC8H11N3%2Fc1-11%282%2910-9-8-6-4-3-5-7-8%2Fh3-7H%2C1-2H3,2.0,48.0,0.181818181818182,11.0,0.0,138.108997344971,27.96,9.09090909090909,44.645,0.0,4.79289940828402,3.78698224852071,6.0,11.0,11.0,6.0,3.0,0.0,3.0,2.2469
InChI%3D1S%2FC15H10O7%2Fc16-7-4-10%2819%2912-11%285-7%2922-15%2814%2821%2913%2812%2920%296-1-2-8%2817%299%2818%293-6%2Fh1-5%2C16-19%2C21H,1.0,120.0,0.0416666666666667,24.0,1.0,292.157992362976,131.36,16.84375,76.244,5.0,6.48148148148148,3.16534777176177,9.0,22.0,24.0,17.0,6.0,0.0,7.0,1.988
InChI%3D1S%2FC10Cl10O%2Fc11-2-1%2821%293%2812%296%2815%294%282%2C13%298%2817%295%282%2C14%297%283%2C16%299%286%2C18%2910%288%2C19%2920,0.0,164.0,0.0,25.0,0.0,490.638987541199,17.07,13.44,88.116,0.0,2.22222222222222,0.45,5.0,21.0,25.0,0.0,1.0,0.0,1.0,4.6182
InChI%3D1S%2FC17H13N3O3%2Fc1-11-6-8-14%2815%2810-11%2920%2822%2923%2918-19-17-13-5-3-2-4-12%2813%297-9-16%2817%2921%2Fh2-10%2C18H%2C1H3,3.0,120.0,0.12,25.0,0.0,294.204993247986,87.28,17.8112,90.6437,1.0,7.92,4.15879017013232,10.0,23.0,25.0,12.0,5.0,0.0,3.0,3.8385
InChI%3D1S%2FC15H22O3%2Fc1-11-6-7-12%282%2913%2810-11%2918-9-5-8-15%283%2C4%2914%2816%2917%2Fh6-7%2C10H%2C5%2C8-9H2%2C1-4H3%2C%28H%2C16%2C17%29,6.0,86.0,0.333333333333333,18.0,0.0,228.161993980408,49.36,16.0555555555556,70.1195,0.0,6.9632,5.26748971193416,9.0,18.0,18.0,6.0,2.0,1.0,3.0,2.2385
InChI%3D1S%2FC14H9NO2%2Fc15-8-5-6-11-12%287-8%2914%2817%2910-4-2-1-3-9%2810%2913%2811%2916%2Fh1-7H%2C15H2,0.0,94.0,0.0,19.0,0.0,214.158994674683,60.16,12.0554016620499,64.1614,1.0,4.59183673469388,1.96,7.0,17.0,19.0,12.0,3.0,0.0,3.0,2.0442
InChI%3D1S%2FC9H12%2Fc1-7-4-5-8%282%299%283%296-7%2Fh4-6H%2C1-3H3,0.0,42.0,0.0,9.0,0.0,108.098997116089,0.0,7.11111111111111,40.653,0.0,2.72222222222222,1.70414201183432,4.0,9.0,9.0,6.0,0.0,0.0,0.0,2.6118
InChI%3D1S%2FC6H12ClN3O3%2Fc1-5%2811%294-10%289-13%296%2812%298-3-2-7%2Fh5%2C11H%2C2-4H2%2C1H3%2C%28H%2C8%2C12%29,6.0,52.0,0.5,12.0,0.0,197.536995887756,85.49,13.0,49.8326,2.0,7.40816326530612,6.12244897959184,7.0,13.0,12.0,0.0,6.0,0.0,6.0,0.5034
InChI%3D1S%2FC16H14O6%2Fc17-10-2-1-8-13-9-4-12%2819%2911%2818%293-7%289%295-16%2813%2C21%296-22-15%288%2914%2810%2920%2Fh1-4%2C13%2C17-21H%2C5-6H2,0.0,130.0,0.0,25.0,1.0,288.169992446899,110.38,15.5232,75.535,5.0,5.25,2.25921521997622,9.0,22.0,25.0,12.0,6.0,0.0,6.0,1.3205
InChI%3D1S%2FC2H5Br%2Fc1-2-3%2Fh2H2%2C1H3,0.0,6.0,0.0,2.0,0.0,103.925998687744,0.0,3.0,19.468,0.0,2.0,0.0,1.0,3.0,2.0,0.0,0.0,0.0,0.0,1.4012
InChI%3D1S%2FC11H14N2O4%2Fc1-8%282%2916-9-6-4-5-7-10%289%2917-11%2814%2913%283%2912-15%2Fh4-8H%2C1-3H3,6.0,78.0,0.352941176470588,17.0,0.0,224.130994796753,68.2,15.0588235294118,61.788,0.0,7.43801652892562,5.0176,8.0,17.0,17.0,6.0,6.0,0.0,6.0,2.5858
InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H,0.0,20.0,0.0,5.0,1.0,64.0429983139038,13.14,3.2,18.708,0.0,1.44,0.64,1.0,5.0,5.0,5.0,0.0,0.0,1.0,1.2796
InChI%3D1S%2FC13H11NO5%2Fc1-2-14-5-8%2813%2816%2917%2912%2815%297-3-10-11%284-9%287%2914%2919-6-18-10%2Fh3-5H%2C2%2C6H2%2C1H3%2C%28H%2C16%2C17%29,2.0,104.0,0.0952380952380952,21.0,2.0,250.144993782043,80.59,13.9591836734694,65.022,0.0,5.41311134235172,2.3801652892562,7.0,19.0,21.0,11.0,4.0,1.0,6.0,0.113599999999999
InChI%3D1S%2FC11H11N5%2Fc12-10-7-6-9%2811%2813%2914-10%2916-15-8-4-2-1-3-5-8%2Fh1-7H%2C%28H4%2C12%2C13%2C14%29,2.0,78.0,0.117647058823529,17.0,1.0,202.155996322632,90.38,12.4567474048443,61.6778,3.0,6.07438016528926,3.76923076923077,9.0,16.0,17.0,12.0,4.0,0.0,4.0,2.4918
InChI%3D1S%2FC3H6N2S%2Fc6-3-4-1-2-5-3%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29,0.0,26.0,0.0,6.0,1.0,96.1140003204346,63.19,4.16666666666667,23.9281,2.0,1.63265306122449,0.979591836734694,2.0,6.0,6.0,0.0,3.0,0.0,3.0,-0.3602
InChI%3D1S%2FC4H9N3O3%2Fc5-4%289%297%286-10%292-1-3-8%2Fh8H%2C1-3H2%2C%28H2%2C5%2C9%29,5.0,38.0,0.555555555555556,9.0,0.0,138.061997413635,96.98,10.0,34.5593,3.0,5.76,4.48,5.0,10.0,9.0,0.0,6.0,0.0,6.0,-0.155
InChI%3D1S%2FC5H3Cl5%2Fc1-2%284%287%298%293%286%295%289%2910%2Fh1H3,1.0,42.0,0.111111111111111,9.0,0.0,237.319993972778,0.0,10.0,48.991,0.0,4.0,3.11111111111111,4.0,10.0,9.0,0.0,0.0,0.0,0.0,4.581
InChI%3D1S%2FC6H6N2O3%2Fc7-4-1-2-6%289%295%283-4%298%2810%2911%2Fh1-3%2C9H%2C7H2,1.0,52.0,0.0909090909090909,11.0,0.0,148.076996803284,92.07,9.09090909090909,41.3412,2.0,3.6,2.21453287197232,4.0,11.0,11.0,6.0,4.0,0.0,2.0,1.4058
InChI%3D1S%2FC2H3N3O%2Fc1-5%282-3%294-6%2Fh1H3,1.0,20.0,0.2,5.0,0.0,82.0419988632202,56.46,6.0,19.171,0.0,3.2,3.0,3.0,6.0,5.0,0.0,4.0,0.0,4.0,0.0806800000000001
InChI%3D1S%2FC4H10N2S%2Fc1-5-4%287%296%282%293%2Fh1-3H3%2C%28H%2C5%2C7%29,1.0,26.0,0.166666666666667,6.0,0.0,108.125,54.4,7.0,36.032,1.0,3.06122448979592,2.66666666666667,3.0,7.0,6.0,0.0,3.0,0.0,3.0,0.4636
InChI%3D1S%2FC14H12N4O3S%2Fc19-8-7-15-13-9-3-1-2-4-10%289%2916-14%2817-13%2911-5-6-12%2822-11%2918%2820%2921%2Fh1-6%2C19H%2C7-8H2%2C%28H%2C15%2C16%2C17%29,4.0,114.0,0.166666666666667,24.0,2.0,304.245995521545,135.33,16.84375,85.7445,2.0,7.71349862258953,3.92561983471074,10.0,22.0,24.0,16.0,5.0,0.0,4.0,2.6158
InChI%3D1S%2FC12H27O4P%2Fc1-4-7-10-14-17%2813%2C15-11-8-5-2%2916-12-9-6-3%2Fh4-12H2%2C1-3H3,12.0,68.0,0.75,16.0,0.0,239.10199546814,54.57,17.0,70.1865,0.0,11.1111111111111,9.679012345679,9.0,17.0,16.0,0.0,4.0,0.0,4.0,4.5446
InChI%3D1S%2FC18H15N3O%2Fc1-21%2820-22%2916-10-7-14%288-11-16%296-9-15-12-13-19-18-5-3-2-4-17%2815%2918%2Fh2-13H%2C1H3,4.0,112.0,0.166666666666667,24.0,1.0,274.217993736267,45.56,16.84375,91.311,0.0,8.203125,4.30839002267574,12.0,22.0,24.0,17.0,4.0,0.0,4.0,4.5228
InChI%3D1S%2FC2H2ClF3%2Fc3-1-2%284%2C5%296%2Fh1H2,1.0,24.0,0.2,5.0,0.0,116.468996047974,0.0,6.0,16.775,0.0,1.63265306122449,5.33333333333333,2.0,6.0,5.0,0.0,0.0,0.0,0.0,1.7875
InChI%3D1S%2FC6H5NO2%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H,1.0,40.0,0.111111111111111,9.0,0.0,118.070997238159,45.82,7.11111111111111,35.264,0.0,3.2396694214876,2.0,4.0,9.0,9.0,6.0,2.0,0.0,0.0,2.118
InChI%3D1S%2FC12H19NO3%2Fc1-12%282%2C3%2913-7-11%2816%298-4-9%2814%296-10%2815%295-8%2Fh4-6%2C11%2C13-16H%2C7H2%2C1-3H3,4.0,78.0,0.25,16.0,0.0,206.135994911194,77.3,14.0625,63.4108,4.0,5.55765595463138,5.26446280991736,7.0,16.0,16.0,6.0,3.0,0.0,3.0,0.4931
InChI%3D1S%2FC3H3N3O2S%2Fc4-3-5-1-2%289-3%296%287%298%2Fh1H%2C%28H2%2C4%2C5%29,1.0,42.0,0.111111111111111,9.0,1.0,142.118999481201,113.7,7.11111111111111,33.3464,2.0,2.72222222222222,1.70414201183432,4.0,9.0,9.0,5.0,3.0,0.0,2.0,0.9871
InChI%3D1S%2FC4H8N2O2%2Fc7-5-6-1-3-8-4-2-6%2Fh1-4H2,1.0,34.0,0.125,8.0,1.0,108.055997848511,41.9,6.125,25.9672,0.0,3.11111111111111,1.8,4.0,8.0,8.0,0.0,4.0,0.0,4.0,-0.0621
InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H,0.0,46.0,0.0,10.0,1.0,112.086997032166,13.14,5.76,36.214,0.0,2.31952662721893,0.996539792387543,3.0,9.0,10.0,10.0,0.0,0.0,1.0,2.4328
InChI%3D1S%2FC6H14N2O%2Fc1-3-5-8%287-9%296-4-2%2Fh3-6H2%2C1-2H3,5.0,32.0,0.625,8.0,0.0,116.078997612,32.67,9.0,37.95,0.0,6.125,4.5,5.0,9.0,8.0,0.0,3.0,0.0,3.0,1.7898
InChI%3D1S%2FC17H22N2%2Fc1-18%282%2916-9-5-14%286-10-16%2913-15-7-11-17%2812-8-15%2919%283%294%2Fh5-12H%2C13H2%2C1-4H3,4.0,94.0,0.2,20.0,0.0,232.200994491577,6.48,15.39,84.344,0.0,7.1358024691358,4.5,11.0,19.0,20.0,12.0,2.0,0.0,2.0,3.4094
InChI%3D1S%2FC9H11N3O2%2Fc13-10-12-6-2-4-9%2812%298-3-1-5-11%2814%297-8%2Fh1%2C3%2C5%2C7%2C9H%2C2%2C4%2C6H2,2.0,70.0,0.133333333333333,15.0,2.0,182.11799621582,58.13,10.5155555555556,49.7922,0.0,4.68,2.34319526627219,6.0,14.0,15.0,6.0,4.0,0.0,4.0,1.0762
InChI%3D1S%2FC8H5N3O4S%2Fc12-4-9-8-10-5%283-16-8%296-1-2-7%2815-6%2911%2813%2914%2Fh1-4H%2C%28H%2C9%2C10%2C12%29,3.0,80.0,0.176470588235294,17.0,2.0,234.171997070312,132.68,12.4567474048443,59.4188,1.0,5.55765595463138,3.02972651605232,9.0,16.0,17.0,10.0,5.0,0.0,5.0,3.0523
InChI%3D1S%2FC2H5ClO%2Fc1-4-2-3%2Fh2H2%2C1H3,1.0,10.0,0.333333333333333,3.0,0.0,75.4739980697632,9.23,4.0,17.729,0.0,3.0,4.0,2.0,4.0,3.0,0.0,1.0,0.0,1.0,0.8291
InChI%3D1S%2FC6H10N2O3%2Fc1-5%289%293-8%287-11%294-6%282%2910%2Fh3-4H2%2C1-2H3,5.0,44.0,0.5,10.0,0.0,148.076996803284,66.81,11.0,38.73,0.0,5.625,6.4,5.0,11.0,10.0,0.0,5.0,0.0,5.0,0.1478
InChI%3D1S%2FC2H2Cl2O2%2Fc3-1%284%292%285%296%2Fh1H%2C%28H%2C5%2C6%29,1.0,22.0,0.2,5.0,0.0,126.925996780396,40.13,6.0,21.1875,0.0,2.22222222222222,3.0,2.0,6.0,5.0,0.0,1.0,1.0,2.0,-0.46
InChI%3D1S%2FC10H12O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh4-6H%2C2-3%2C7H2%2C1H3,2.0,60.0,0.153846153846154,13.0,1.0,152.107995986938,18.46,8.59171597633136,46.56,0.0,3.80622837370242,1.8595041322314,6.0,12.0,13.0,6.0,2.0,0.0,2.0,2.3678
InChI%3D1S%2FC7H10N2O%2Fc1-10-7-3-2-5%288%294-6%287%299%2Fh2-4H%2C8-9H2%2C1H3,1.0,46.0,0.1,10.0,0.0,128.089997291565,61.27,8.1,41.8188,2.0,3.40828402366864,1.99111111111111,5.0,10.0,10.0,6.0,3.0,0.0,3.0,0.8596
InChI%3D1S%2FC13H12Cl2N2%2Fc14-10-6-8%281-3-12%2810%2916%295-9-2-4-13%2817%2911%2815%297-9%2Fh1-4%2C6-7H%2C5%2C16-17H2,2.0,86.0,0.111111111111111,18.0,0.0,255.062994003296,52.04,13.4320987654321,74.5348,2.0,5.76,3.48444444444444,9.0,17.0,18.0,12.0,2.0,0.0,2.0,3.7486
InChI%3D1S%2FC5H11N3O2%2Fc1-2-3-4-8%287-10%295%286%299%2Fh2-4H2%2C1H3%2C%28H2%2C6%2C9%29,5.0,38.0,0.555555555555556,9.0,0.0,134.073997497559,76.75,10.0,37.7645,2.0,5.76,4.48,5.0,10.0,9.0,0.0,5.0,0.0,5.0,1.2627
InChI%3D1S%2FC8H11NO%2Fc1-6-5-7%2810-2%293-4-8%286%299%2Fh3-5H%2C9H2%2C1-2H3,1.0,46.0,0.1,10.0,0.0,126.093997001648,35.25,8.1,42.1434,1.0,3.40828402366864,1.99111111111111,5.0,10.0,10.0,6.0,2.0,0.0,2.0,1.5858
InChI%3D1S%2FC12H15ClO3%2Fc1-4-15-11%2814%2912%282%2C3%2916-10-7-5-9%2813%296-8-10%2Fh5-8H%2C4H2%2C1-3H3,5.0,76.0,0.3125,16.0,0.0,227.581994056702,35.53,14.0625,62.792,0.0,6.07438016528926,4.42361111111111,9.0,16.0,16.0,6.0,3.0,0.0,3.0,3.0605
InChI%3D1S%2FC10H22N2O%2Fc1-3-5-7-9-12%2811-13%2910-8-6-4-2%2Fh3-10H2%2C1-2H3,9.0,48.0,0.75,12.0,0.0,164.122996330261,32.67,13.0,56.418,0.0,10.0833333333333,8.33333333333333,9.0,13.0,12.0,0.0,3.0,0.0,3.0,3.3502
InChI%3D1S%2FC6H7ClN2%2Fc7-5-2-1-4%288%293-6%285%299%2Fh1-3H%2C8-9H2,0.0,42.0,0.0,9.0,0.0,135.532997131348,52.04,7.11111111111111,40.2768,2.0,2.72222222222222,1.70414201183432,4.0,9.0,9.0,6.0,2.0,0.0,2.0,1.5044
InChI%3D1S%2FC7H8O2%2Fc1-5-2-3-6%288%297%289%294-5%2Fh2-4%2C8-9H%2C1H3,0.0,42.0,0.0,9.0,0.0,116.074996948242,40.46,7.11111111111111,34.5086,2.0,2.72222222222222,1.70414201183432,4.0,9.0,9.0,6.0,2.0,0.0,2.0,1.4062
InChI%3D1S%2FC2H6O3P%2Fc1-4-6%283%295-2%2Fh1-2H3%2Fq%2B1,2.0,20.0,0.4,5.0,0.0,102.992999076843,69.67,6.0,21.6245,0.0,3.2,3.0,3.0,6.0,5.0,0.0,3.0,0.0,3.0,0.9366
InChI%3D1S%2FC13H12N4%2Fc1-17-11-7-10%289-5-3-2-4-6-9%298-15-12%2811%2916-13%2817%2914%2Fh2-8H%2C1H3%2C%28H2%2C14%2C15%2C16%29,1.0,92.0,0.0526315789473684,19.0,2.0,212.17099571228,57.46,12.0554016620499,66.3554,2.0,4.93827160493827,2.29072315558802,8.0,17.0,19.0,16.0,2.0,0.0,3.0,2.0479
InChI%3D1S%2FC5H10N2O2%2Fc1-2-3-7%286-9%294-5-8%2Fh2%2C8H%2C1%2C3-5H2,5.0,32.0,0.625,8.0,0.0,120.066997528076,52.9,9.0,34.6508,1.0,6.125,4.5,5.0,9.0,8.0,0.0,4.0,0.0,4.0,0.1481
InChI%3D1S%2FC3H6O%2Fc1-3-2-4-3%2Fh3H%2C2H2%2C1H3,0.0,18.0,0.0,4.0,1.0,52.0319986343384,12.53,2.25,15.414,0.0,0.48,0.16,1.0,4.0,4.0,0.0,1.0,0.0,1.0,0.4051
InChI%3D1S%2FC6H12N2O4%2Fc1-4%289%292-7-3-5%2810%296%2811%298-12%2Fh5-7%2C10-11H%2C2-3H2%2C1H3,6.0,48.0,0.545454545454545,11.0,0.0,164.075996398926,103.57,12.0,42.283,3.0,6.50887573964497,6.25,7.0,12.0,11.0,0.0,5.0,0.0,5.0,-2.4155
InChI%3D1S%2FC10H15N3O2%2Fc1-13%2812-15%297-3-5-10%2814%299-4-2-6-11-8-9%2Fh2%2C4%2C6%2C8%2C10%2C14H%2C3%2C5%2C7H2%2C1H3,6.0,66.0,0.4,15.0,1.0,194.128995895386,65.79,13.0666666666667,56.8558,1.0,7.30246913580247,5.04,9.0,15.0,15.0,6.0,5.0,0.0,5.0,1.5084
InChI%3D1S%2FC4H4N2O2%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29,0.0,36.0,0.0,8.0,1.0,108.055997848511,66.24,6.125,25.3616,2.0,2.52,1.8,3.0,8.0,8.0,6.0,4.0,0.0,4.0,-0.1122
InChI%3D1S%2FC9H10N4O4%2Fc1-6-5-12%289%2814%2911-6%2910-4-7-2-3-8%2817-7%2913%2815%2916%2Fh2-4%2C6H%2C5H2%2C1H3%2C%28H%2C11%2C14%29,3.0,86.0,0.166666666666667,18.0,2.0,228.122995376587,107.15,13.4320987654321,56.3272,1.0,5.76,3.48444444444444,9.0,17.0,18.0,5.0,6.0,0.0,5.0,1.0365
InChI%3D1S%2FC18H22ClNO%2Fc1-16%2815-21-18-10-6-3-7-11-18%2920%2813-12-19%2914-17-8-4-2-5-9-17%2Fh2-11%2C16H%2C12-15H2%2C1H3,8.0,98.0,0.363636363636364,22.0,0.0,281.656992912292,13.67,17.3553719008264,90.2287,1.0,9.9039780521262,6.328125,11.0,21.0,22.0,12.0,1.0,0.0,1.0,2.7778
InChI%3D1S%2FC12H10N2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10H,2.0,66.0,0.133333333333333,15.0,0.0,172.14599609375,24.72,10.5155555555556,57.06,0.0,5.77777777777778,3.59183673469388,8.0,14.0,15.0,12.0,2.0,0.0,2.0,4.102
InChI%3D1S%2FC12H4Cl6%2Fc13-7-3-1-5%289%2815%2911%287%2917%296-2-4-8%2814%2912%2818%2910%286%2916%2Fh1-4H,1.0,94.0,0.0526315789473684,19.0,0.0,356.849990844727,0.0,14.409972299169,81.938,0.0,5.55102040816327,2.65927977839335,8.0,18.0,19.0,12.0,0.0,0.0,0.0,7.274
InChI%3D1S%2FC4H6Cl2%2Fc5-3-1-2-4-6%2Fh1-2H%2C3-4H2,2.0,18.0,0.4,5.0,0.0,118.949996948242,0.0,6.0,30.58,0.0,5.0,5.33333333333333,4.0,6.0,5.0,0.0,0.0,0.0,0.0,2.0202
InChI%3D1S%2FC13H13N3%2Fc1-7-12-11%288%282%2915-13%287%2914%299-5-3-4-6-10%289%2916-12%2Fh3-6%2C16H%2C1-2H3%2C%28H2%2C14%2C15%29,0.0,90.0,0.0,18.0,2.0,198.163995742798,55.43,11.1111111111111,65.4841,3.0,4.03292181069959,1.67521367521368,6.0,16.0,18.0,15.0,1.0,0.0,1.0,2.7455
InChI%3D1S%2FC3H6N6%2Fc4-1-7-2%285%299-3%286%298-1%2Fh%28H6%2C4%2C5%2C6%2C7%2C8%2C9%29,0.0,42.0,0.0,9.0,1.0,120.074998855591,118.92,7.11111111111111,27.0582,6.0,2.72222222222222,2.0,3.0,9.0,9.0,6.0,3.0,0.0,3.0,-1.8906
InChI%3D1S%2FC2H3Br%2Fc1-2-3%2Fh2H%2C1H2,0.0,6.0,0.0,2.0,0.0,103.925998687744,0.0,3.0,19.124,0.0,2.0,0.0,1.0,3.0,2.0,0.0,0.0,0.0,0.0,1.5248
InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2,0.0,6.0,0.0,2.0,0.0,59.4749984741211,0.0,3.0,16.05,0.0,2.0,0.0,1.0,3.0,2.0,0.0,0.0,0.0,0.0,1.3687
InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H,0.0,24.0,0.0,6.0,0.0,72.0659980773926,0.0,4.16666666666667,26.442,0.0,2.22222222222222,1.33333333333333,2.0,6.0,6.0,6.0,0.0,0.0,0.0,1.6866
InChI%3D1S%2FC5H8O2%2Fc1-5%282%293-7-4%285%296%2Fh3H2%2C1-2H3,0.0,36.0,0.0,7.0,1.0,92.0529975891113,26.3,5.14285714285714,24.74,0.0,1.2396694214876,0.666666666666667,2.0,7.0,7.0,0.0,2.0,0.0,2.0,0.5694
InChI%3D1S%2FC5H12N2O3%2Fc1-5%289%294-7%286-10%292-3-8%2Fh5%2C8-9H%2C2-4H2%2C1H3,5.0,38.0,0.555555555555556,9.0,0.0,136.065997123718,73.13,10.0,36.1346,2.0,5.76,5.53086419753086,5.0,10.0,9.0,0.0,5.0,0.0,5.0,-0.6571
InChI%3D1S%2FC20H19NO3%2Fc1-20%282%2910-9-13-15%2824-20%2911-16%2823-4%2917-18%2813%2921%283%2914-8-6-5-7-12%2814%2919%2817%2922%2Fh5-11H%2C1-4H3,1.0,138.0,0.037037037037037,27.0,2.0,302.223992347717,40.46,17.4156378600823,96.988,0.0,6.31065759637188,2.82333333333333,9.0,24.0,27.0,16.0,3.0,0.0,4.0,3.8845
InChI%3D1S%2FC2H5NO%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29,0.0,12.0,0.0,3.0,0.0,54.0279989242554,44.08,4.0,16.0295,2.0,1.33333333333333,0.0,1.0,4.0,3.0,0.0,2.0,0.0,2.0,0.5416
InChI%3D1S%2FC6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299,0.0,60.0,0.0,12.0,0.0,284.783992767334,0.0,10.0833333333333,56.502,0.0,3.39506172839506,1.5625,4.0,12.0,12.0,6.0,0.0,0.0,0.0,5.607
InChI%3D1S%2FC6H4Cl2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H,0.0,36.0,0.0,8.0,0.0,142.971996307373,0.0,6.125,36.462,0.0,2.52,1.8,4.0,8.0,8.0,6.0,0.0,0.0,0.0,2.9934
InChI%3D1S%2FC2F4%2Fc3-1%284%292%285%296,0.0,22.0,0.0,5.0,0.0,100.013996124268,0.0,6.0,11.458,0.0,2.22222222222222,3.0,2.0,6.0,5.0,0.0,0.0,0.0,0.0,1.991
InChI%3D1S%2FC22H32O2%2Fc1-17%289-7-10-18%282%2914-16-24-20%284%2923%2912-13-21-19%283%2911-8-15-22%2821%2C5%296%2Fh7%2C9-10%2C12-14H%2C8%2C11%2C15-16H2%2C1-6H3,7.0,112.0,0.291666666666667,24.0,0.0,296.239992141724,26.3,22.0416666666667,102.759,0.0,10.87109375,8.79238754325259,14.0,24.0,24.0,0.0,2.0,0.0,2.0,6.0811
InChI%3D1S%2FC18H20O2%2Fc1-3-17%2813-5-9-15%2819%2910-6-13%2918%284-2%2914-7-11-16%2820%2912-8-14%2Fh5-12%2C19-20H%2C3-4H2%2C1-2H3,4.0,98.0,0.19047619047619,21.0,0.0,248.195993423462,40.46,16.3718820861678,83.6096,2.0,7.85204081632653,4.25,10.0,20.0,21.0,12.0,2.0,0.0,2.0,4.8286
InChI%3D1S%2FC5H3Cl3O3%2Fc6-2-1%283%287%298%294%289%2911-5%282%2910%2Fh3-4%2C9H,1.0,54.0,0.0909090909090909,11.0,1.0,214.410994529724,46.53,9.09090909090909,40.4718,1.0,3.1640625,1.6,4.0,11.0,11.0,0.0,3.0,0.0,3.0,1.1582
InChI%3D1S%2FC8H8N2O2%2Fc1-10%289-12%298%2811%297-5-3-2-4-6-7%2Fh2-6H%2C1H3,3.0,54.0,0.25,12.0,0.0,156.099996566772,49.74,10.0833333333333,44.3305,0.0,4.88888888888889,2.77777777777778,6.0,12.0,12.0,6.0,4.0,0.0,4.0,1.44
InChI%3D1S%2FC14H16N2%2Fc1-9-7-11%283-5-13%289%2915%2912-4-6-14%2816%2910%282%298-12%2Fh3-8H%2C15-16H2%2C1-2H3,1.0,82.0,0.0588235294117647,17.0,0.0,196.167995452881,52.04,12.4567474048443,70.1768,2.0,5.10416666666667,2.83111111111111,8.0,16.0,17.0,12.0,2.0,0.0,2.0,3.1348
InChI%3D1S%2FC10H9N3O3%2Fc1-6-5-7%282%2912-10%2811-6%298-3-4-9%2816-8%2913%2814%2915%2Fh3-5H%2C1-2H3,2.0,82.0,0.117647058823529,17.0,2.0,210.127995491028,84.74,12.4567474048443,58.03,0.0,5.10416666666667,3.02972651605232,7.0,16.0,17.0,11.0,4.0,0.0,3.0,2.7848
InChI%3D1S%2FC21H33NO7%2Fc1-7-13%282%2918%2823%2929-16-9-11-22-10-8-15%2817%2816%2922%2912-28-19%2824%2921%2826%2C14%283%2927-6%2920%284%2C5%2925%2Fh7-8%2C14%2C16-17%2C25-26H%2C9-12H2%2C1-6H3,10.0,150.0,0.333333333333333,30.0,2.0,378.230990409851,106.73,25.2622222222222,104.7925,3.0,10.08,5.25777777777778,13.0,29.0,30.0,0.0,7.0,0.0,7.0,1.1109
InChI%3D1S%2FC8H14ClNS2%2Fc1-4-10%285-2%298%2811%2912-6-7%283%299%2Fh3-6H2%2C1-2H3,6.0,48.0,0.545454545454545,11.0,0.0,209.681999206543,60.63,12.0,62.97,0.0,6.50887573964497,5.32544378698225,6.0,12.0,11.0,0.0,3.0,0.0,3.0,3.0988
InChI%3D1S%2FC10H13N3O2%2Fc1-13%2812-15%297-3-5-10%2814%299-4-2-6-11-8-9%2Fh2%2C4%2C6%2C8H%2C3%2C5%2C7H2%2C1H3,6.0,66.0,0.4,15.0,1.0,194.128995895386,62.63,13.0666666666667,56.2265,0.0,7.30246913580247,5.04,9.0,15.0,15.0,6.0,5.0,0.0,5.0,1.6577
InChI%3D1S%2FC13H16N4O6%2Fc18-13-16%2814-7-10-1-2-12%2822-10%2917%2819%2920%299-11%2823-13%298-15-3-5-21-6-4-15%2Fh1-2%2C7%2C11H%2C3-6%2C8-9H2,5.0,118.0,0.2,25.0,3.0,308.164993286133,114.53,17.8112,75.8811,1.0,8.39273356401384,4.98866213151927,13.0,23.0,25.0,5.0,7.0,0.0,6.0,1.2879
InChI%3D1S%2FC8H8%2Fc1-2-8-6-4-3-5-7-8%2Fh2-7H%2C1H2,1.0,34.0,0.125,8.0,0.0,96.0879974365234,0.0,6.125,36.533,0.0,3.11111111111111,1.8,4.0,8.0,8.0,6.0,0.0,0.0,0.0,2.3296
InChI%3D1S%2FC5H12N2S%2Fc1-3-6-5%288%297-4-2%2Fh3-4H2%2C1-2H3%2C%28H2%2C6%2C7%2C8%29,3.0,28.0,0.428571428571429,7.0,0.0,120.135999679565,63.19,8.0,40.6387,2.0,5.14285714285714,5.0,5.0,8.0,7.0,0.0,3.0,0.0,3.0,0.9016
InChI%3D1S%2FC3H7N3O2%2Fc1-2-6%285-8%293%284%297%2Fh2H2%2C1H3%2C%28H2%2C4%2C7%29,3.0,30.0,0.428571428571429,7.0,0.0,110.051998138428,76.75,8.0,28.5305,2.0,3.9375,2.8125,3.0,8.0,7.0,0.0,5.0,0.0,5.0,0.4825
InChI%3D1S%2FC14H13N3O2S%2Fc1-19-13-7-9%2820%282%2918%293-4-10%2813%2914-16-11-5-6-15-8-12%2811%2917-14%2Fh3-8H%2C1-2H3%2C%28H%2C16%2C17%29,3.0,106.0,0.136363636363636,22.0,2.0,274.239995956421,87.08,14.9173553719008,78.3442,1.0,6.40582726326743,3.12244897959184,9.0,20.0,22.0,16.0,4.0,0.0,4.0,3.2366
InChI%3D1S%2FC4H10N2O2%2Fc1-6%285-8%293-2-4-7%2Fh7H%2C2-4H2%2C1H3,4.0,28.0,0.571428571428571,7.0,0.0,108.055997848511,52.9,8.0,30.1278,1.0,5.14285714285714,5.0,5.0,8.0,7.0,0.0,4.0,0.0,4.0,-0.018
InChI%3D1S%2FC6H14NO4P%2Fc1-9-12%288%2C10-2%297-3-5-11-6-4-7%2Fh3-6H2%2C1-2H3,3.0,56.0,0.25,12.0,1.0,181.042997360229,57.81,10.0833333333333,41.7967,0.0,4.296875,2.25,5.0,12.0,12.0,0.0,5.0,0.0,5.0,0.6574
InChI%3D1S%2FC8H6N4O4S%2Fc13-4-9-11-8-10-5%283-17-8%296-1-2-7%2816-6%2912%2814%2915%2Fh1-4H%2C%28H%2C9%2C13%29%28H%2C10%2C11%29,4.0,84.0,0.222222222222222,18.0,2.0,248.178997039795,144.71,13.4320987654321,63.3815,2.0,6.25,3.48444444444444,10.0,17.0,18.0,10.0,6.0,0.0,6.0,2.7477
InChI%3D1S%2FC9H12N2O2%2Fc1-2-13-8-5-3-7%284-6-8%2911-9%2810%2912%2Fh3-6H%2C2H2%2C1H3%2C%28H3%2C10%2C11%2C12%29,4.0,58.0,0.307692307692308,13.0,0.0,168.110996246338,65.34,11.0769230769231,51.5892,3.0,5.671875,4.1522491349481,8.0,13.0,13.0,6.0,4.0,0.0,4.0,1.99
InChI%3D1S%2FC26H36O6%2Fc1-4-5-6-22-31-21-12-18-17-8-7-15-11-16%2828%299-10-24%2815%2C2%2923%2817%2919%2829%2913-25%2818%2C3%2926%2821%2C32-22%2920%2830%2914-27%2Fh9-11%2C17-19%2C21-23%2C27%2C29H%2C4-8%2C12-14H2%2C1-3H3,5.0,188.0,0.138888888888889,36.0,1.0,408.279989242554,93.06,23.7283950617284,117.4836,2.0,8.29369797859691,3.22222222222222,14.0,32.0,36.0,0.0,6.0,0.0,6.0,3.1069
InChI%3D1S%2FC20H22O3%2Fc1-20%282%2C19%2821%2922%2923-16-12-10-15%2811-13-16%2918-9-5-7-14-6-3-4-8-17%2814%2918%2Fh3-4%2C6%2C8%2C10-13%2C18H%2C5%2C7%2C9H2%2C1-2H3%2C%28H%2C21%2C22%29,4.0,122.0,0.16,25.0,0.0,288.216992378235,49.36,17.8112,88.0655,0.0,7.48611111111111,4.15879017013232,11.0,23.0,25.0,12.0,2.0,1.0,3.0,3.0621
InChI%3D1S%2FC12H12N2S%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,2.0,74.0,0.125,16.0,0.0,204.212997436523,77.34,11.484375,65.8318,2.0,5.36507936507936,3.5,9.0,15.0,16.0,12.0,3.0,0.0,3.0,3.0022
InChI%3D1S%2FC10H10O3%2Fc1-2-8%2811%297-3-4-9-10%285-7%2913-6-12-9%2Fh2-5%2C8%2C11H%2C1%2C6H2,2.0,66.0,0.142857142857143,14.0,1.0,168.106995582581,38.69,9.55102040816327,47.7218,1.0,4.02216066481994,1.92,6.0,13.0,14.0,6.0,3.0,0.0,3.0,1.6347
InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H,0.0,24.0,0.0,6.0,1.0,74.0619983673096,12.89,4.16666666666667,24.237,0.0,2.22222222222222,1.33333333333333,2.0,6.0,6.0,6.0,1.0,0.0,1.0,1.0816
InChI%3D1S%2FC7H7NO2%2Fc1-6-4-2-3-5-7%286%298%289%2910%2Fh2-5H%2C1H3,1.0,46.0,0.1,10.0,0.0,130.081996917725,45.82,8.1,40.001,0.0,3.40828402366864,1.99111111111111,4.0,10.0,10.0,6.0,2.0,0.0,0.0,2.4264
InChI%3D1S%2FCHBr3%2Fc2-1%283%294%2Fh1H,0.0,12.0,0.0,3.0,0.0,251.722997665405,0.0,4.0,30.569,0.0,1.33333333333333,0.0,1.0,4.0,3.0,0.0,0.0,0.0,0.0,2.4547
InChI%3D1S%2FC3H6O3S%2Fc4-7%285%293-1-2-6-7%2Fh1-3H2,0.0,34.0,0.0,7.0,1.0,116.096999168396,51.75,5.14285714285714,24.4,0.0,1.5,1.18518518518519,2.0,7.0,7.0,0.0,3.0,0.0,3.0,0.8173
InChI%3D1S%2FC9H8O4%2Fc10-7-3-1-6%285-8%287%2911%292-4-9%2812%2913%2Fh1-5%2C10-11H%2C%28H%2C12%2C13%29,2.0,60.0,0.153846153846154,13.0,0.0,172.094995498657,80.59,11.0769230769231,44.4991,2.0,5.0242214532872,3.7037037037037,7.0,13.0,13.0,6.0,3.0,1.0,4.0,-0.1391
InChI%3D1S%2FC7H9NO2S%2Fc1-6-4-2-3-5-7%286%2911%288%2C9%2910%2Fh2-5H%2C1H3%2C%28H2%2C8%2C9%2C10%29,1.0,54.0,0.0909090909090909,11.0,0.0,162.148998260498,68.54,9.09090909090909,42.5964,1.0,3.1640625,2.21453287197232,4.0,11.0,11.0,6.0,3.0,0.0,3.0,1.7232
InChI%3D1S%2FC12H10N2O%2Fc15-14-12-8-6-11%287-9-12%2913-10-4-2-1-3-5-10%2Fh1-9%2C13H,3.0,72.0,0.1875,16.0,0.0,188.144995689392,41.46,11.484375,61.6217,1.0,5.915,3.5,9.0,15.0,16.0,12.0,3.0,0.0,2.0,3.8281
InChI%3D1S%2FC7H11N5O2%2Fc1-8-7%2813%295-6%2812%283%2910-14%299-4-11%285%292%2Fh4H%2C1-3H3%2C%28H%2C8%2C13%29,3.0,66.0,0.214285714285714,14.0,1.0,186.109996795654,83.08,12.0714285714286,52.4958,1.0,5.18559556786704,2.5344,6.0,14.0,14.0,5.0,6.0,0.0,7.0,0.4721
InChI%3D1S%2FC2H4Br2%2Fc3-1-2-4%2Fh1-2H2,1.0,10.0,0.333333333333333,3.0,0.0,183.829998016357,0.0,4.0,27.588,0.0,3.0,4.0,2.0,4.0,3.0,0.0,0.0,0.0,0.0,1.7762
InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2,2.0,20.0,0.4,5.0,0.0,142.391996383667,0.0,6.0,31.081,0.0,3.2,3.0,3.0,6.0,5.0,0.0,0.0,0.0,0.0,2.0714
InChI%3D1S%2FC9H10O2%2Fc1-2-4-8%285-3-1%2910-6-9-7-11-9%2Fh1-5%2C9H%2C6-7H2,3.0,54.0,0.25,12.0,1.0,140.096996307373,21.76,7.63888888888889,41.677,0.0,3.6,1.97530864197531,6.0,11.0,12.0,6.0,2.0,0.0,2.0,1.4642
InChI%3D1S%2FC7H10N2OS%2Fc1-2-3-5-4-6%2810%299-7%2811%298-5%2Fh4H%2C2-3H2%2C1H3%2C%28H2%2C8%2C9%2C10%2C11%29,2.0,50.0,0.181818181818182,11.0,1.0,160.156998634338,84.81,9.09090909090909,44.9438,2.0,4.13265306122449,2.84444444444444,5.0,11.0,11.0,6.0,4.0,0.0,4.0,1.4234
InChI%3D1S%2FC8H11NO%2Fc1-6-3-4-8%2810-2%297%289%295-6%2Fh3-5H%2C9H2%2C1-2H3,1.0,46.0,0.1,10.0,0.0,126.093997001648,35.25,8.1,42.1434,1.0,3.40828402366864,1.99111111111111,5.0,10.0,10.0,6.0,2.0,0.0,2.0,1.5858
InChI%3D1S%2FC4H9N5O3%2Fc1-2-3-8%287-10%294%285%296-9%2811%2912%2Fh2-3H2%2C1H3%2C%28H2%2C5%2C6%29,6.0,48.0,0.545454545454545,11.0,0.0,166.0759973526,114.37,12.0,42.8164,2.0,6.50887573964497,5.32544378698225,6.0,12.0,11.0,0.0,7.0,0.0,5.0,0.6191
InChI%3D1S%2FC4H9N3O2%2Fc1-2-3-7%286-9%294%285%298%2Fh2-3H2%2C1H3%2C%28H2%2C5%2C8%29,4.0,34.0,0.5,8.0,0.0,122.062997817993,76.75,9.0,33.1475,2.0,4.83950617283951,3.55555555555556,4.0,9.0,8.0,0.0,5.0,0.0,5.0,0.8726
InChI%3D1S%2FC11H12N2O%2Fc1-9-8-11%2814%2913%2812%289%292%2910-6-4-3-5-7-10%2Fh3-8H%2C1-2H3,1.0,72.0,0.0666666666666667,15.0,1.0,176.133996009827,26.93,10.5155555555556,55.747,0.0,4.24489795918367,2.02040816326531,6.0,14.0,15.0,11.0,1.0,0.0,3.0,1.4844
InChI%3D1S%2FC16H19ClN4O2S%2Fc1-10-4-3-5-12%2811%2810%292%2919-14-8-13%2817%2920-16%2821-14%2924-9-15%2823%2918-6-7-22%2Fh3-5%2C8%2C22H%2C6-7%2C9H2%2C1-2H3%2C%28H%2C18%2C23%29%28H%2C19%2C20%2C21%29,6.0,116.0,0.24,25.0,1.0,347.721994400024,119.16,20.3136,97.4773,3.0,10.2222222222222,6.68244575936884,13.0,24.0,25.0,12.0,6.0,0.0,6.0,2.9532
InChI%3D1S%2FC16H12N2O%2Fc19-15-11-10-12-6-4-5-9-14%2812%2916%2815%2918-17-13-7-2-1-3-8-13%2Fh1-11%2C17H,2.0,98.0,0.0952380952380952,21.0,0.0,236.188994407654,41.46,13.9591836734694,77.0847,1.0,6.63520408163265,3.36596055514974,9.0,19.0,21.0,12.0,3.0,0.0,3.0,3.0987
InChI%3D1S%2FC8H10O%2Fc1-7%289%298-5-3-2-4-6-8%2Fh2-7%2C9H%2C1H3,1.0,40.0,0.111111111111111,9.0,0.0,112.086997032166,20.23,7.11111111111111,37.0758,1.0,3.2396694214876,2.0,4.0,9.0,9.0,6.0,1.0,0.0,1.0,1.7399
InChI%3D1S%2FC17H12O6%2Fc1-20-10-6-11-14%288-4-5-21-17%288%2922-11%2915-13%2810%297-2-3-9%2818%2912%287%2916%2819%2923-15%2Fh4-6%2C8%2C17H%2C2-3H2%2C1H3,1.0,138.0,0.037037037037037,27.0,3.0,300.180992126465,74.97,15.2702331961591,79.0695,0.0,5.5,2.08284023668639,8.0,23.0,27.0,11.0,5.0,0.0,6.0,2.2765
InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H,0.0,12.0,0.0,3.0,0.0,162.820997238159,0.0,4.0,24.421,0.0,1.33333333333333,0.0,1.0,4.0,3.0,0.0,0.0,0.0,0.0,2.1425
InChI%3D1S%2FC7H6N6O3%2Fc8-6-10-5%2811-7%289%2912-6%293-1-2-4%2816-3%2913%2814%2915%2Fh1-2H%2C%28H4%2C8%2C9%2C10%2C11%2C12%29,2.0,82.0,0.117647058823529,17.0,2.0,216.115996360779,151.13,12.4567474048443,51.1718,4.0,5.10416666666667,3.02972651605232,7.0,16.0,17.0,11.0,5.0,0.0,4.0,0.3882
InChI%3D1S%2FC3H9O3P%2Fc1-5-7%283%2C4%296-2%2Fh1-3H3,2.0,28.0,0.333333333333333,6.0,0.0,115.003998756409,45.34,7.0,27.5485,0.0,2.34375,2.66666666666667,3.0,7.0,6.0,0.0,3.0,0.0,3.0,1.1021
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H,0.0,12.0,0.0,3.0,0.0,118.369997024536,0.0,4.0,21.347,0.0,1.33333333333333,0.0,1.0,4.0,3.0,0.0,0.0,0.0,0.0,1.9864
InChI%3D1S%2FC11H24N2O%2Fc1-3-4-5-6-7-8-9-10-11-13%282%2912-14%2Fh3-11H2%2C1-2H3,10.0,52.0,0.769230769230769,13.0,0.0,176.133996009827,32.67,14.0,61.035,0.0,11.0769230769231,11.0,11.0,14.0,13.0,0.0,3.0,0.0,3.0,3.7403
InChI%3D1S%2FC15H18N4O5%2Fc1-5-9%2816%2912%2821%298-6%284-24-14%2817%2922%2915%2823-2%2913-7%2818-13%293-19%2815%2910%288%2911%285%2920%2Fh6-7%2C13%2C18H%2C3-4%2C16H2%2C1-2H3%2C%28H2%2C17%2C22%29,4.0,142.0,0.148148148148148,27.0,3.0,316.187993049622,142.55,17.4156378600823,77.0717,4.0,5.75,2.07428571428571,8.0,24.0,27.0,0.0,8.0,0.0,8.0,-0.7562
InChI%3D1S%2FC4H8N2OS%2Fc7-5-6-1-3-8-4-2-6%2Fh1-4H2,1.0,34.0,0.125,8.0,1.0,124.123999595642,57.97,6.125,32.4732,0.0,3.11111111111111,1.8,4.0,8.0,8.0,0.0,4.0,0.0,4.0,0.6545
InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H,0.0,60.0,0.0,12.0,0.0,284.783992767334,0.0,10.0833333333333,57.846,0.0,3.39506172839506,1.5625,4.0,12.0,12.0,0.0,0.0,0.0,0.0,3.6444
InChI%3D1S%2FC34H28N6O16S4%2Fc1-55-25-9-15%283-5-23%2825%2937-39-31-27%2859%2849%2C50%2951%2911-17-7-19%2857%2843%2C44%2945%2913-21%2835%2929%2817%2933%2831%2941%2916-4-6-24%2826%2810-16%2956-2%2938-40-32-28%2860%2852%2C53%2954%2912-18-8-20%2858%2846%2C47%2948%2914-22%2836%2930%2818%2934%2832%2942%2Fh3-14%2C37-38H%2C35-36H2%2C1-2H3%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29%28H%2C49%2C50%2C51%29%28H%2C52%2C53%2C54%29,11.0,334.0,0.169230769230769,65.0,0.0,876.667987823486,415.74,49.4343195266272,208.9188,4.0,19.076893502499,11.0048209366391,26.0,60.0,65.0,24.0,18.0,4.0,22.0,5.7676
InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29,0.0,26.0,0.0,6.0,1.0,76.0579986572266,28.68,4.16666666666667,23.3247,1.0,1.63265306122449,0.979591836734694,2.0,6.0,6.0,5.0,1.0,0.0,1.0,0.7181
InChI%3D1S%2FC4H10N2O%2Fc1-3-6%284-2%295-7%2Fh3-4H2%2C1-2H3,3.0,24.0,0.5,6.0,0.0,92.0569982528687,32.67,7.0,28.716,0.0,4.16666666666667,2.66666666666667,3.0,7.0,6.0,0.0,3.0,0.0,3.0,1.0096
InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296,0.0,22.0,0.0,5.0,0.0,165.833995819092,0.0,6.0,30.438,0.0,2.22222222222222,3.0,2.0,6.0,5.0,0.0,0.0,0.0,0.0,3.0682
InChI%3D1S%2FC37H30N4O10S3%2Fc1-22-4-13-30%2814-5-22%2954%2849%2C50%2951-29-11-9-28%2810-12-29%2938-39-32-15-6-25%2818-23%2832%292%2926-7-16-33%2824%283%2919-26%2940-41-37-34%2842%2917-8-27-20-31%2852%2843%2C44%2945%2921-35%2836%2827%2937%2953%2846%2C47%2948%2Fh4-21%2C40H%2C1-3H3%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29,10.0,296.0,0.169491525423729,59.0,0.0,756.625988006592,249.09,43.575409365125,197.6645,1.0,18.092665067542,10.9936224489796,28.0,54.0,59.0,30.0,12.0,2.0,14.0,9.9246
InChI%3D1S%2FC8H14O4%2Fc1-5-4-8%2811-6%282%299%2912-7%283%2910-5%2Fh5%2C7-8H%2C4H2%2C1-3H3,2.0,56.0,0.166666666666667,12.0,1.0,160.083995819092,44.76,10.0833333333333,41.265,0.0,4.296875,3.515625,5.0,12.0,12.0,0.0,4.0,0.0,4.0,1.047
InChI%3D1S%2FC8H11N%2Fc1-6-3-4-7%282%298%289%295-6%2Fh3-5H%2C9H2%2C1-2H3,0.0,42.0,0.0,9.0,0.0,110.094997406006,26.02,7.11111111111111,40.3284,1.0,2.72222222222222,1.70414201183432,4.0,9.0,9.0,6.0,1.0,0.0,1.0,1.8856
InChI%3D1S%2FC5H12N2O4%2Fc8-2-1-7%286-11%293-5%2810%294-9%2Fh5%2C8-10H%2C1-4H2,6.0,42.0,0.6,10.0,0.0,152.06499671936,93.36,11.0,37.5464,3.0,6.69421487603306,5.28925619834711,6.0,11.0,10.0,0.0,6.0,0.0,6.0,-1.6847
InChI%3D1S%2FC2H4Cl2O%2Fc3-1-5-2-4%2Fh1-2H2,2.0,14.0,0.5,4.0,0.0,110.926997184753,9.23,5.0,22.525,0.0,4.0,4.0,3.0,5.0,4.0,0.0,1.0,0.0,1.0,1.3956
InChI%3D1S%2FC5H11N3O3%2Fc1-2-6-5%2810%298%287-11%293-4-9%2Fh9H%2C2-4H2%2C1H3%2C%28H%2C6%2C10%29,5.0,42.0,0.5,10.0,0.0,150.072997093201,85.49,11.0,40.1916,2.0,6.69421487603306,4.44444444444444,6.0,11.0,10.0,0.0,6.0,0.0,6.0,-0.104
InChI%3D1S%2FC12Br10O%2Fc13-1-3%2815%297%2819%2911%288%2820%294%281%2916%2923-12-9%2821%295%2817%292%2814%296%2818%2910%2812%2922,2.0,122.0,0.0833333333333333,24.0,0.0,959.17098903656,9.23,19.3263888888889,129.958,0.0,7.08692476260044,3.25443786982249,9.0,23.0,24.0,12.0,1.0,0.0,1.0,11.1039
InChI%3D1S%2FC5H10N2O3%2Fc8-4-3-6-2-1-5%289%297-10%2Fh6%2C8H%2C1-4H2,6.0,36.0,0.666666666666667,9.0,0.0,136.065997123718,83.34,10.0,36.2982,2.0,7.11111111111111,7.0,7.0,10.0,9.0,0.0,4.0,0.0,4.0,-1.7748
InChI%3D1S%2FC4H7Cl2O4P%2Fc1-8-11%287%2C9-2%2910-3-4%285%296%2Fh3H%2C1-2H3,4.0,46.0,0.4,10.0,0.0,213.919996261597,54.57,11.0,42.4985,0.0,4.79289940828402,4.44444444444444,5.0,11.0,10.0,0.0,4.0,0.0,4.0,2.6804
InChI%3D1S%2FC3H8N2O2%2Fc1-5%284-7%292-3-6%2Fh6H%2C2-3H2%2C1H3,3.0,24.0,0.5,6.0,0.0,96.0449981689453,52.9,7.0,25.5108,1.0,4.16666666666667,3.84,4.0,7.0,6.0,0.0,4.0,0.0,4.0,-0.4081
InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2,1.0,14.0,0.25,4.0,0.0,106.938997268677,0.0,5.0,25.713,0.0,4.0,4.0,3.0,5.0,4.0,0.0,0.0,0.0,0.0,1.9777
InChI%3D1S%2FC11H9BrO4%2Fc1-16-8-4-2-7%283-5-8%2911%2815%299%2812%296-10%2813%2914%2Fh2-6H%2C1H3%2C%28H%2C13%2C14%29,4.0,74.0,0.25,16.0,0.0,276.020994186401,66.43,14.0625,60.028,0.0,6.66666666666667,4.42361111111111,9.0,16.0,16.0,6.0,3.0,1.0,4.0,0.906599999999999
InChI%3D1S%2FC6H10N2O%2Fc1-3-5-8%287-9%296-4-2%2Fh3-4H%2C1-2%2C5-6H2,5.0,32.0,0.625,8.0,0.0,116.078997612,32.67,9.0,37.762,0.0,6.125,4.5,5.0,9.0,8.0,0.0,3.0,0.0,3.0,1.3418
InChI%3D1S%2FC4H10N2O2%2Fc1-4%287%293-6%282%295-8%2Fh4%2C7H%2C3H2%2C1-2H3,3.0,30.0,0.428571428571429,7.0,0.0,108.055997848511,52.9,8.0,30.1058,1.0,3.9375,5.0,4.0,8.0,7.0,0.0,4.0,0.0,4.0,-0.0196
InChI%3D1S%2FC4H5N3O3%2Fc8-3-1-2-7%286-10%294%289%295-3%2Fh1-2H2%2C%28H%2C5%2C8%2C9%29,1.0,46.0,0.1,10.0,1.0,138.061997413635,82.33,8.1,27.5492,1.0,3.40828402366864,1.99111111111111,5.0,10.0,10.0,0.0,6.0,0.0,6.0,-0.1765
InChI%3D1S%2FC9H11ClN2O%2Fc1-12%282%299%2813%2911-8-5-3-7%2810%294-6-8%2Fh3-6H%2C1-2H3%2C%28H%2C11%2C13%29,3.0,60.0,0.230769230769231,13.0,0.0,187.564995765686,32.34,11.0769230769231,54.1577,1.0,5.0242214532872,3.7037037037037,7.0,13.0,13.0,6.0,3.0,0.0,3.0,2.4335
InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2,0.0,6.0,0.0,2.0,0.0,82.9169979095459,0.0,3.0,16.573,0.0,2.0,0.0,1.0,3.0,2.0,0.0,0.0,0.0,0.0,1.4215
InChI%3D1S%2FC8H12F6N2O%2Fc9-7%2810%2C11%293-1-5-16%2815-17%296-2-4-8%2812%2C13%2914%2Fh1-6H2,9.0,76.0,0.5625,16.0,0.0,254.088992118835,32.67,17.0,47.946,0.0,7.43801652892562,12.25,9.0,17.0,16.0,0.0,3.0,0.0,3.0,3.6548
InChI%3D1S%2FC16H12N2O4%2Fc1-21-15-7-11%283-5-13%2815%2917-9-19%2912-4-6-14%2818-10-20%2916%288-12%2922-2%2Fh3-8H%2C1-2H3,5.0,106.0,0.217391304347826,23.0,0.0,284.18599319458,77.32,18.3402646502836,80.545,0.0,9.33333333333333,4.75,12.0,22.0,23.0,12.0,6.0,0.0,6.0,3.3054
InChI%3D1S%2FC8H12N4O5%2Fc9-7-10-2-12%288%2816%2911-7%296-5%2815%294%2814%293%281-13%2917-6%2Fh2-6%2C13-15H%2C1H2%2C%28H2%2C9%2C11%2C16%29,2.0,88.0,0.111111111111111,18.0,2.0,232.110995292664,144.71,13.4320987654321,50.5509,5.0,5.32544378698225,2.56,8.0,17.0,18.0,6.0,8.0,0.0,9.0,-2.9253
InChI%3D1S%2FC7H15N3O%2Fc1-6-4-10%288-11%295-7%282%299%286%293%2Fh6-7H%2C4-5H2%2C1-3H3,1.0,52.0,0.0909090909090909,11.0,1.0,142.096997261047,37.11,9.09090909090909,40.5781,1.0,3.6,1.97530864197531,5.0,11.0,11.0,0.0,3.0,0.0,3.0,0.7822
InChI%3D1S%2FC4H9NO2%2Fc1-3-4%282%295%286%297%2Fh4H%2C3H2%2C1-2H3,2.0,26.0,0.333333333333333,6.0,0.0,94.0489978790283,45.82,7.0,28.915,0.0,3.06122448979592,2.66666666666667,3.0,7.0,6.0,0.0,2.0,0.0,0.0,1.5848
InChI%3D1S%2FC19H20N2O2%2Fc1-2-3-14-17-18%2822%2920%2815-10-6-4-7-11-15%2921%2819%2817%2923%2916-12-8-5-9-13-16%2Fh4-13%2C17H%2C2-3%2C14H2%2C1H3,5.0,118.0,0.2,25.0,1.0,288.220993041992,40.62,17.8112,84.4714,0.0,8.39273356401384,3.81944444444444,9.0,23.0,25.0,12.0,4.0,0.0,4.0,3.9178
InChI%3D1S%2FC20H14O4%2Fc21-15-9-5-13%286-10-15%2920%2814-7-11-16%2822%2912-8-14%2918-4-2-1-3-17%2818%2919%2823%2924-20%2Fh1-12%2C21-22H,2.0,134.0,0.0740740740740741,27.0,1.0,304.215991973877,66.76,17.4156378600823,87.9531,2.0,6.9575,3.02140309155767,9.0,24.0,27.0,18.0,4.0,0.0,4.0,3.5601
InChI%3D1S%2FC9H10N4O3S%2Fc1-12%282%2911-9-10-6%285-17-9%297-3-4-8%2816-7%2913%2814%2915%2Fh3-5H%2C1-2H3%2C%28H%2C10%2C11%29,4.0,86.0,0.222222222222222,18.0,2.0,244.190997123718,115.36,13.4320987654321,65.9477,1.0,5.76,3.48444444444444,9.0,17.0,18.0,10.0,5.0,0.0,5.0,2.723
InChI%3D1S%2FC4H6O2%2Fc1-3-2-4%285%296-3%2Fh3H%2C2H2%2C1H3,0.0,28.0,0.0,6.0,1.0,80.0419979095459,26.3,4.16666666666667,20.171,0.0,1.25,0.75,3.0,6.0,6.0,0.0,2.0,0.0,2.0,0.3218
InChI%3D1S%2FC6H10N2O2%2Fc1-3-4-8%287-10%295-6%282%299%2Fh3H%2C1%2C4-5H2%2C2H3,5.0,38.0,0.555555555555556,9.0,0.0,132.077997207642,49.74,10.0,38.246,0.0,5.76,5.53086419753086,5.0,10.0,9.0,0.0,4.0,0.0,4.0,0.7448
InChI%3D1S%2FC11H8N2O5%2Fc12-11%2814%298%289-2-1-5-17-9%296-7-3-4-10%2818-7%2913%2815%2916%2Fh1-6H%2C%28H2%2C12%2C14%29,4.0,90.0,0.210526315789474,19.0,2.0,240.129994392395,116.18,14.409972299169,64.4645,2.0,6.43786982248521,3.75,8.0,18.0,19.0,10.0,4.0,0.0,4.0,3.3799
InChI%3D1S%2FC10H14N2O2%2Fc1-8%2812%282%2911-14%2910%2813%299-6-4-3-5-7-9%2Fh3-8%2C10%2C13H%2C1-2H3,4.0,64.0,0.285714285714286,14.0,0.0,180.121995925903,52.9,12.0714285714286,54.4218,1.0,5.77777777777778,3.27272727272727,7.0,14.0,14.0,6.0,4.0,0.0,4.0,1.7217
InChI%3D1S%2FC7H6N2O4%2Fc1-5-6%288%2810%2911%293-2-4-7%285%299%2812%2913%2Fh2-4H%2C1H3,2.0,62.0,0.153846153846154,13.0,0.0,176.086996078491,91.64,11.0769230769231,48.823,0.0,4.48148148148148,2.47933884297521,5.0,13.0,13.0,6.0,4.0,0.0,0.0,2.8578
InChI%3D1S%2FC6H7N%2Fc7-6-4-2-1-3-5-6%2Fh1-5H%2C7H2,0.0,30.0,0.0,7.0,0.0,86.072998046875,26.02,5.14285714285714,30.8544,1.0,2.34375,1.5,3.0,7.0,7.0,6.0,1.0,0.0,1.0,1.2688
InChI%3D1S%2FC7H8N2O3%2Fc1-12-7-3-2-5%289%2810%2911%294-6%287%298%2Fh2-4H%2C8H2%2C1H3,2.0,56.0,0.166666666666667,12.0,0.0,160.087996482849,81.07,10.0833333333333,46.2284,1.0,4.296875,2.49307479224377,6.0,12.0,12.0,6.0,4.0,0.0,2.0,1.7088
InChI%3D1S%2FC12H14O4%2Fc1-2-9%2813-5-11-7-15-11%294-10%283-1%2914-6-12-8-16-12%2Fh1-4%2C11-12H%2C5-8H2,6.0,84.0,0.333333333333333,18.0,2.0,208.127994537354,43.52,11.1111111111111,56.912,0.0,5.10416666666667,2.83111111111111,9.0,16.0,18.0,6.0,4.0,0.0,4.0,1.2418
InChI%3D1S%2FC6H8N4O3S%2Fc1-2-7-5%2811%299-6-8-3-4%2814-6%2910%2812%2913%2Fh3H%2C2H2%2C1H3%2C%28H2%2C7%2C8%2C9%2C11%29,4.0,64.0,0.285714285714286,14.0,1.0,208.157998085022,131.57,12.0714285714286,55.1635,2.0,5.77777777777778,3.96,8.0,14.0,14.0,5.0,6.0,0.0,5.0,1.9203
InChI%3D1S%2FC6H12Cl3O4P%2Fc7-1-4-11-14%2810%2C12-5-2-8%2913-6-3-9%2Fh1-6H2,9.0,56.0,0.692307692307692,13.0,0.0,273.394994735718,54.57,14.0,57.6225,0.0,8.32,7.04,7.0,14.0,13.0,0.0,4.0,0.0,4.0,2.8607
InChI%3D1S%2FC2H4O%2Fc1-2-3-1%2Fh1-2H2,0.0,12.0,0.0,3.0,1.0,40.0209989547729,12.53,1.33333333333333,10.819,0.0,0.222222222222222,0.0,0.0,3.0,3.0,0.0,1.0,0.0,1.0,0.0166
InChI%3D1S%2FC4H5NS%2Fc1-2-3-5-4-6%2Fh2H%2C1%2C3H2,2.0,18.0,0.4,5.0,0.0,94.1180000305176,44.45,6.0,30.09,0.0,5.0,5.33333333333333,4.0,6.0,5.0,0.0,2.0,0.0,2.0,1.2752
InChI%3D1S%2FC18H14N4O7S%2Fc23-21%2824%2914-7-9-15%2817%2811-14%2922%2825%2926%2920-13-6-8-16%2818%2810-13%2930%2827%2C28%2929%2919-12-4-2-1-3-5-12%2Fh1-11%2C19-20H%2C%28H%2C27%2C28%2C29%29,7.0,156.0,0.21875,32.0,0.0,416.285992622375,181.28,24.638671875,111.5428,2.0,10.7448015122873,6.75,14.0,30.0,32.0,18.0,8.0,1.0,3.0,6.0215