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

SMILES,nB,AMR,nAtom,nAtomLC,nAtomLAC,nAromBond,nHBDon,ALogP,ALogp2,nAtomP,naAromAtom,nRotB,MLogP,XLogP
InChI%3D1S%2FC6H10N6%2Fc7-4-10-5%288%2912-6%2811-4%299-3-1-2-3%2Fh3H%2C1-2H2%2C%28H5%2C7%2C8%2C9%2C10%2C11%2C12%29,13,35.2267990112305,22,0,0,0,5,-0.613099992275238,0.375891596078873,9,0,1,1.46000003814697,2.08200001716614
InChI%3D1S%2FC14H21N3O4%2Fc1-6-9%282%2915-13-11%2816%2818%2919%297-10%2814%283%2C4%295%298-12%2813%2917%2820%2921%2Fh7-9%2C15H%2C6H2%2C1-5H3,21,46.3053016662598,42,5,4,6,1,0.80680000782013,0.650926232337952,13,6,6,2.23000001907349,6.89300012588501
InChI%3D1S%2FC8H8Cl3O3PS%2Fc1-12-15%2816%2C13-2%2914-8-4-6%2810%295%289%293-7%288%2911%2Fh3-4H%2C1-2H3,16,47.2397994995117,24,7,0,6,0,3.23790001869202,10.4839963912964,11,6,4,1.46000003814697,3.88100004196167
InChI%3D1S%2FC12H27OPS3%2Fc1-4-7-10-15-14%2813%2C16-11-8-5-2%2917-12-9-6-3%2Fh4-12H2%2C1-3H3,16,79.6408996582031,44,17,4,0,0,0.0366000011563301,0.00133956002537161,1,0,12,2.23000001907349,5.35799980163574
InChI%3D1S%2FC13H12BrCl2N3O%2Fc14-9-4-13%2820-5-9%2C6-19-8-17-7-18-19%2911-2-1-10%2815%293-12%2811%2916%2Fh1-3%2C7-9H%2C4-6H2,22,43.9244995117188,32,0,0,11,2,2.1800000667572,4.75239992141724,6,6,3,2.11999988555908,3.16400003433228
InChI%3D1S%2FC15H15F3N2O2%2Fc1-10%282%2914%2821%2C12-7-19-9-20-8-12%2911-3-5-13%286-4-11%2922-15%2816%2C17%2918%2Fh3-10%2C21H%2C1-2H3,23,27.5622005462646,37,5,3,12,1,1.91219997406006,3.6565089225769,7,12,5,2.33999991416931,3.64100003242493
InChI%3D1S%2FC8H8Cl2O2%2Fc1-11-7-3-6%2810%298%2812-2%294-5%287%299%2Fh3-4H%2C1-2H3,12,25.8628005981445,20,2,0,6,0,1.38499999046326,1.91822504997253,8,6,2,1.89999997615814,2.09999990463257
InChI%3D1S%2FC10H22O3%2Fc1-4-5-6-12-8-10%283%2913-7-9%282%2911%2Fh9-11H%2C4-8H2%2C1-3H3,12,50.2545013427734,35,13,4,0,1,-1.25660002231598,1.57904350757599,0,0,8,2.23000001907349,1.39100003242493
InChI%3D1S%2FC10H19O6PS2%2Fc1-5-15-9%2811%297-8%2810%2812%2916-6-2%2919-17%2818%2C13-3%2914-4%2Fh8H%2C5-7H2%2C1-4H3,18,77.2726974487305,38,19,4,0,0,1.96410000324249,3.85768890380859,4,0,11,1.57000005245209,2.00699996948242
InChI%3D1S%2FC17H18N4O6S%2Fc1-10-7-11%282%2919-16%2818-10%2920-17%2823%2921-28%2824%2C25%2914-6-4-3-5-13%2814%2915%2822%2927-12-8-26-9-12%2Fh3-7%2C12H%2C8-9H2%2C1-2H3%2C%28H2%2C18%2C19%2C20%2C21%2C23%29,30,51.8171997070312,46,7,0,12,2,0.106899999082088,0.011427610181272,22,12,7,2.11999988555908,2.54200005531311
InChI%3D1S%2FC14H12Cl2N2O%2Fc1-19-18-14%287-10-3-2-6-17-9-10%2912-5-4-11%2815%298-13%2812%2916%2Fh2-6%2C8-9H%2C7H2%2C1H3,20,29.6993007659912,31,5,2,12,0,1.36600005626678,1.86595594882965,9,12,4,2.45000004768372,4.03700017929077
InChI%3D1S%2FC13H6Cl6O2%2Fc14-6-2-8%2816%2912%2820%294%2810%286%2918%291-5-11%2819%297%2815%293-9%2817%2913%285%2921%2Fh2-3%2C20-21H%2C1H2,22,43.4238014221191,27,0,0,12,2,4.00139999389648,16.0112018585205,7,12,2,2.00999999046326,3.76799988746643
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%2C3-4H2,19,77.7978973388672,27,7,2,0,0,2.72370004653931,7.41854190826416,5,0,3,1.67999994754791,2.76999998092651
InChI%3D1S%2FC19H22FN3O3%2Fc1-2-21-5-7-22%288-6-21%2917-10-16-13%289-15%2817%2920%2918%2824%2914%2819%2825%2926%2911-23%2816%2912-3-4-12%2Fh9-12H%2C2-8H2%2C1H3%2C%28H%2C25%2C26%29,29,68.5260009765625,50,2,2,6,1,-0.344700008630753,0.118818089365959,10,6,4,2.77999997138977,1.27499997615814
InChI%3D1S%2FC9H13BrN2O2%2Fc1-4-5%282%2912-8%2813%297%2810%296%283%2911-9%2812%2914%2Fh5H%2C4H2%2C1-3H3%2C%28H%2C11%2C14%29,14,56.019401550293,31,4,4,0,2,-0.300300002098083,0.0901800915598869,3,0,2,1.89999997615814,1.00399994850159
InChI%3D1S%2FC14H18N2O4%2Fc1-10-5-4-6-11%282%2913%2810%2916%2812%2817%299-19-3%2915-7-8-20-14%2815%2918%2Fh4-6H%2C7-9H2%2C1-3H3,21,48.540699005127,38,6,2,6,0,0.334800004959106,0.112091042101383,13,6,5,2.33999991416931,1.58599996566772
InChI%3D1S%2FC16H12ClF4N3O4%2Fc1-2-22%288-10-11%2817%294-3-5-12%2810%2918%2915-13%2823%2825%2926%296-9%2816%2819%2C20%2921%297-14%2815%2924%2827%2928%2Fh3-7H%2C2%2C8H2%2C1H3,29,36.2949981689453,40,4,2,12,0,2.60640001296997,6.79332113265991,13,12,7,1.89999997615814,6.03599977493286
InChI%3D1S%2FC14H19NO%2Fc1-5-16-11-6-7-13-12%288-11%2910%282%299-14%283%2C4%2915-13%2Fh6-9%2C15H%2C5H2%2C1-4H3,17,43.2781982421875,35,3,2,6,0,1.28649997711182,1.65508222579956,10,6,2,2.77999997138977,3.07800006866455
InChI%3D1S%2FC2H2Cl4%2Fc3-1%284%292%285%296%2Fh1-2H,5,30.7637996673584,8,6,2,0,0,2.39919996261597,5.75616073608398,0,0,1,1.24000000953674,2.57599997520447
InChI%3D1S%2FC14H12FNO3%2Fc1-7-2-3-8-4-9%2815%295-10-12%288%2916%287%296-11%2813%2810%2917%2914%2818%2919%2Fh4-7H%2C2-3H2%2C1H3%2C%28H%2C18%2C19%29,21,41.7431983947754,33,2,0,6,1,-0.368499994277954,0.135792255401611,9,6,1,2.45000004768372,1.72200000286102
InChI%3D1S%2FC14H18ClN3O2%2Fc1-14%282%2C3%2912%2819%2913%2818-9-16-8-17-18%2920-11-6-4-10%2815%295-7-11%2Fh4-9%2C12-13%2C19H%2C1-3H3,21,38.3995018005371,38,8,4,11,3,1.78110003471375,3.17231726646423,7,6,5,2.33999991416931,2.94400000572205
InChI%3D1S%2FC17H27NO3S%2Fc1-3-6-14%2818-21-4-2%2917-15%2819%299-13%2810-16%2817%2920%2912-7-5-8-22-11-12%2Fh12-13%2C18H%2C3-11H2%2C1-2H3,23,86.5752029418945,49,8,4,0,1,-0.866299986839294,0.750475704669952,8,0,6,2.77999997138977,3.97699999809265
InChI%3D1S%2FC26H23F2NO4%2Fc1-17%282%2924%2818-11-13-21%2814-12-18%2932-26%2827%2928%2925%2830%2933-23%2816-29%2919-7-6-10-22%2815-19%2931-20-8-4-3-5-9-20%2Fh3-15%2C17%2C23-24%2C26H%2C1-2H3,35,42.6431999206543,56,10,4,18,0,0.830699980258942,0.690062463283539,13,18,10,3.54999995231628,7.9559998512268
InChI%3D1S%2FC6H10O4S2%2Fc1-5-6%282%2912%289%2C10%294-3-11%285%2C7%298%2Fh3-4H2%2C1-2H3,12,47.146598815918,22,0,0,0,0,-0.374000012874603,0.139875993132591,8,0,0,1.46000003814697,-0.582000017166138
InChI%3D1S%2FC14H9ClF2N2O2%2Fc15-8-4-6-9%287-5-8%2918-14%2821%2919-13%2820%2912-10%2816%292-1-3-11%2812%2917%2Fh1-7H%2C%28H2%2C18%2C19%2C20%2C21%29,22,23.0795993804932,30,6,0,12,2,0.859499990940094,0.738740265369415,18,12,4,2.23000001907349,4.44299983978271
InChI%3D1S%2FC11H15N3O2%2Fc1-12-11%2815%2916-10-6-4-5-9%287-10%2913-8-14%282%293%2Fh4-8H%2C1-3H3%2C%28H%2C12%2C15%29,16,36.6885986328125,31,5,0,6,1,-0.105700001120567,0.0111724901944399,13,6,4,2.11999988555908,3.0090000629425
InChI%3D1S%2FC16H22O4%2Fc1-3-5-11-19-15%2817%2913-9-7-8-10-14%2813%2916%2818%2920-12-6-4-2%2Fh7-10H%2C3-6%2C11-12H2%2C1-2H3,20,45.4515991210938,42,7,4,6,0,-1.20840001106262,1.46023058891296,12,6,10,2.77999997138977,5.03399991989136
InChI%3D1S%2FC2H6O2%2Fc3-1-2-4%2Fh3-4H%2C1-2H2,3,14.5536003112793,10,4,2,0,2,-0.89740002155304,0.805326759815216,0,0,1,1.46000003814697,-1.20799994468689
InChI%3D1S%2FC15H17ClN4%2Fc1-2-3-8-15%289-17%2C10-20-12-18-11-19-20%2913-4-6-14%2816%297-5-13%2Fh4-7%2C11-12H%2C2-3%2C8%2C10H2%2C1H3,21,38.6321983337402,37,8,6,11,2,-0.0283000003546476,0.000800889974925667,6,6,6,2.55999994277954,3.53099989891052
InChI%3D1S%2FC12H18N4O6S%2Fc1-7%282%2914%288%283%294%2912-10%2815%2817%2918%295-9%2823%2813%2C21%2922%296-11%2812%2916%2819%2920%2Fh5-8H%2C1-4H3%2C%28H2%2C13%2C21%2C22%29,23,50.2018013000488,41,7,3,6,1,-0.91210001707077,0.83192640542984,17,6,6,1.57000005245209,2.01900005340576
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%29,14,54.185001373291,30,4,2,0,3,0.658900022506714,0.434149205684662,7,0,2,1.67999994754791,2.18400001525879
InChI%3D1S%2FC31H52O3%2Fc1-21%282%2913-10-14-22%283%2915-11-16-23%284%2917-12-19-31%289%2920-18-28-26%287%2929%2833-27%288%2932%2924%285%2925%286%2930%2828%2934-31%2Fh21-23H%2C10-20H2%2C1-9H3,35,113.978202819824,86,16,13,6,0,3.67260003089905,13.4879903793335,10,6,14,4.53999996185303,11.6780004501343
InChI%3D1S%2FC8H10NO5PS%2Fc1-12-15%2816%2C13-2%2914-8-5-3-7%284-6-8%299%2810%2911%2Fh3-6H%2C1-2H3,16,33.2788009643555,26,7,0,6,0,0.958400011062622,0.918530583381653,14,6,5,1.46000003814697,3.48000001907349
InChI%3D1S%2FC6H9N3O3%2Fc1-5-7-4-6%289%2811%2912%298%285%292-3-10%2Fh4%2C10H%2C2-3H2%2C1H3,12,23.6714992523193,21,3,2,5,2,-0.419200003147125,0.175728633999825,2,0,3,1.46000003814697,0.017000000923872
InChI%3D1S%2FC17H12Cl2N2O%2Fc18-14-7-5-12%286-8-14%2917%2822%2C13-9-20-11-21-10-13%2915-3-1-2-4-16%2815%2919%2Fh1-11%2C22H,24,16.0988006591797,34,1,0,18,1,0.743399977684021,0.552643537521362,6,18,3,2.77999997138977,4.43300008773804
InChI%3D1S%2FC11H9Cl2NO2%2Fc12-6-1-2-7-16-11%2815%2914-10-5-3-4-9%2813%298-10%2Fh3-5%2C8H%2C6-7H2%2C%28H%2C14%2C15%29,16,39.0466995239258,25,9,4,6,1,2.57139992713928,6.61209774017334,10,6,3,2.11999988555908,3.78900003433228
InChI%3D1S%2FC5H5N3O%2Fc6-5%289%294-3-7-1-2-8-4%2Fh1-3H%2C%28H2%2C6%2C9%29,9,8.47640037536621,14,3,0,6,2,-0.0816000029444695,0.00665856013074517,9,6,1,1.57000005245209,0.0350000001490116
InChI%3D1S%2FC22H19Br2NO3%2Fc1-22%282%2917%2812-19%2823%2924%2920%2822%2921%2826%2928-18%2813-25%2914-7-6-10-16%2811-14%2927-15-8-4-3-5-9-15%2Fh3-12%2C17-18%2C20H%2C1-2H3,30,64.2880020141602,47,6,2,12,0,1.93729996681213,3.75313138961792,13,12,7,3.22000002861023,7.26100015640259
InChI%3D1S%2FC19H24O3%2Fc1-7-8-13-12%284%2916%2810-15%2813%2920%2922-18%2821%2917-14%289-11%282%293%2919%2817%2C5%296%2Fh1%2C9%2C14%2C16-17H%2C8%2C10H2%2C2-6H3,23,86.4591979980469,46,4,3,0,0,3.76399993896484,14.1676959991455,4,0,5,3.22000002861023,2.9449999332428
InChI%3D1S%2FC7H5Cl2FN2O3%2Fc8-3-5%2811%294%289%297%2812-6%283%2910%2915-1-2%2813%2914%2Fh1H2%2C%28H2%2C11%2C12%29%28H%2C13%2C14%29,15,30.0373992919922,20,5,2,6,2,0.378800004720688,0.143489435315132,8,6,3,1.35000002384186,0.34400001168251
InChI%3D1S%2FC5H12NO4P%2Fc1-11%289%2C10%293-2-4%286%295%287%298%2Fh4H%2C2-3%2C6H2%2C1H3%2C%28H%2C7%2C8%29%28H%2C9%2C10%29,10,30.2665996551514,23,11,4,0,3,-2.27539992332458,5.17744493484497,3,0,4,1.35000002384186,-3.4210000038147
InChI%3D1S%2FC10H16Cl3NOS%2Fc1-6%282%2914%287%283%294%2910%2815%2916-5-8%2811%299%2812%2913%2Fh6-7H%2C5H2%2C1-4H3,15,75.6871032714844,32,16,3,0,0,2.40720009803772,5.79461193084717,3,0,6,1.89999997615814,3.82399988174438
InChI%3D1S%2FC22H28N2O2%2Fc1-7-17-8-10-18%2811-9-17%2920%2825%2923-24%2822%284%2C5%296%2921%2826%2919-13-15%282%2912-16%283%2914-19%2Fh8-14H%2C7H2%2C1-6H3%2C%28H%2C23%2C25%29,27,55.7382011413574,54,10,2,12,1,1.35490000247955,1.83575403690338,18,12,7,3.44000005722046,7.81199979782104
InChI%3D1S%2FC19H26O4S%2Fc1-5-14-21-24%2820%2923-18-9-7-6-8-17%2818%2922-16-12-10-15%2811-13-16%2919%282%2C3%294%2Fh1%2C10-13%2C17-18H%2C6-9%2C14H2%2C2-4H3,25,63.530101776123,50,7,3,6,0,0.469399988651276,0.220336362719536,7,6,7,3,4.25299978256226
InChI%3D1S%2FC2H6ClO3P%2Fc3-1-2-7%284%2C5%296%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29,6,24.5312995910645,13,7,2,0,2,-0.504700005054474,0.254722088575363,4,0,2,1.12999999523163,-0.551999986171722
InChI%3D1S%2FC18H24N2O4%2Fc1-6-18%283%2C7-2%2914-11-15%2824-20-14%2919-17%2821%2916-12%2822-4%299-8-10-13%2816%2923-5%2Fh8-11H%2C6-7H2%2C1-5H3%2C%28H%2C19%2C21%29,25,52.5158004760742,48,6,5,11,2,-0.00650000013411045,4.22500015702099e-05,11,6,8,2.77999997138977,4.22900009155273
InChI%3D1S%2FC6H7N3O2%2Fc7-4-1-2-5%288%296%283-4%299%2810%2911%2Fh1-3H%2C7-8H2,11,11.3299999237061,18,2,0,6,2,-1.54639995098114,2.391352891922,11,6,1,1.57000005245209,1.48099994659424
InChI%3D1S%2FC2I4%2Fc3-1%284%292%285%296,5,59.7634010314941,6,6,2,0,0,3.35560011863708,11.2600517272949,2,0,0,1.24000000953674,4.80999994277954
InChI%3D1S%2FC10H14O2%2Fc1-10%282%2C3%298-6-7%2811%294-5-9%288%2912%2Fh4-6%2C11-12H%2C1-3H3,12,24.2560005187988,26,3,0,6,2,0.635599970817566,0.403987348079681,8,6,1,2.33999991416931,2.66499996185303
InChI%3D1S%2FC9H4Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-4H,17,40.8891983032227,20,5,0,6,0,2.93129992485046,8.59251976013184,11,6,2,1.67999994754791,3.80200004577637
InChI%3D1S%2FC17H16F3NO2%2Fc1-11%282%2923-13-7-5-6-12%2810-13%2921-16%2822%2914-8-3-4-9-15%2814%2917%2818%2C19%2920%2Fh3-11H%2C1-2H3%2C%28H%2C21%2C22%29,24,31.7254009246826,39,4,3,12,1,0.914600014686584,0.836493134498596,16,12,5,2.67000007629395,6.71700000762939
InChI%3D1S%2FC12H12N2%2Fc1-3-7-13-9-10-14-8-4-2-6-12%2814%2911%2813%295-1%2Fh1-8H%2C9-10H2,16,54.1688003540039,34,0,0,0,0,-0.993799984455109,0.987638413906097,4,0,0,2.55999994277954,2.5699999332428
InChI%3D1S%2FC12H20N4O2%2Fc1-14%282%2910-13-11%2817%2916%2812%2818%2915%2810%293%299-7-5-4-6-8-9%2Fh9H%2C4-8H2%2C1-3H3,19,58.717098236084,40,2,0,0,1,-1.19599997997284,1.43041598796844,7,0,2,2.11999988555908,0.925999999046326
InChI%3D1S%2FC9H17NOS%2Fc1-2-12-9%2811%2910-7-5-3-4-6-8-10%2Fh2-8H2%2C1H3,12,46.2974014282227,29,5,2,0,0,-0.301899999380112,0.0911436080932617,3,0,3,2.11999988555908,1.94799995422363
InChI%3D1S%2FC16H13ClF3NO4%2Fc1-9%2815%2822%2923-2%2924-11-3-5-12%286-4-11%2925-14-13%2817%297-10%288-21-14%2916%2818%2C19%2920%2Fh3-9H%2C1-2H3,26,36.4982986450195,38,7,3,12,0,1.43959999084473,2.07244825363159,14,12,7,2.23000001907349,4.78299999237061
InChI%3D1S%2FC10H14NO5PS%2Fc1-3-14-17%2818%2C15-4-2%2916-10-7-5-9%286-8-10%2911%2812%2913%2Fh5-8H%2C3-4H2%2C1-2H3,18,41.8664016723633,32,9,2,6,0,1.4592000246048,2.12926459312439,14,6,7,1.67999994754791,4.32600021362305
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%29,16,60.3378982543945,33,6,3,0,4,1.18340003490448,1.40043556690216,4,0,3,1.67999994754791,0.544000029563904
InChI%3D1S%2FC15H31N3O2%2Fc1-14%2819%2920-13-11-9-7-5-3-2-4-6-8-10-12-18-15%2816%2917%2Fh2-13H2%2C1H3%2C%28H4%2C16%2C17%2C18%29,19,61.4561996459961,51,20,12,0,3,-3.40750002861023,11.6110563278198,4,0,15,2.55999994277954,4.69399976730347
InChI%3D1S%2FC15H12F4N4O7S%2Fc1-28-11%2824%297-4-2-3-5-8%287%2931%2826%2C27%2923-15%2825%2922-14-20-9%2829-12%2816%2917%296-10%2821-14%2930-13%2818%2919%2Fh2-6%2C12-13H%2C1H3%2C%28H2%2C20%2C21%2C22%2C23%2C25%29,32,46.2507019042969,43,7,0,12,2,1.05169999599457,1.10607290267944,24,12,10,1.35000002384186,3.45099997520447
InChI%3D1S%2FC20H19F3N2O4%2Fc1-13%2814-8-6-9-16%2811-14%2920%2821%2C22%2923%2924-29-12-15-7-4-5-10-17%2815%2918%2825-28-3%2919%2826%2927-2%2Fh4-11H%2C12H2%2C1-3H3,30,50.7006988525391,48,8,2,12,0,0.713699996471405,0.509367704391479,12,12,9,2.67000007629395,7.20800018310547
InChI%3D1S%2FC2H6N4S2%2Fc3-1%287%295-6-2%284%298%2Fh%28H3%2C3%2C5%2C7%29%28H3%2C4%2C6%2C8%29,7,34.782600402832,14,8,0,0,4,1.1055999994278,1.22235131263733,6,0,3,1.01999998092651,1.44000005722046
InChI%3D1S%2FC14H16ClN3O2%2Fc1-14%282%2C3%2912%2819%2913%2818-9-16-8-17-18%2920-11-6-4-10%2815%295-7-11%2Fh4-9%2C13H%2C1-3H3,21,37.8013000488281,36,8,4,11,2,2.03340005874634,4.13471555709839,7,6,5,2.33999991416931,2.6029999256134
InChI%3D1S%2FC18H19NO4%2Fc1-13-8-4-7-11-16%2813%2923-12-14-9-5-6-10-15%2814%2917%2819-22-3%2918%2820%2921-2%2Fh4-11H%2C12H2%2C1-3H3,24,37.7406997680664,42,8,2,12,0,0.353300005197525,0.12482088804245,12,12,7,2.89000010490417,5.42199993133545
InChI%3D1S%2FC10H10O4%2Fc1-13-9%2811%297-3-5-8%286-4-7%2910%2812%2914-2%2Fh3-6H%2C1-2H3,14,23.9768009185791,24,4,0,6,0,0.0223999992012978,0.000501759990584105,12,6,4,2.11999988555908,1.91199994087219
InChI%3D1S%2FC14H17Cl2N3O%2Fc1-2-3-6-14%2820%2C8-19-10-17-9-18-19%2912-5-4-11%2815%297-13%2812%2916%2Fh4-5%2C7%2C9-10%2C20H%2C2-3%2C6%2C8H2%2C1H3,21,39.8827018737793,37,7,6,11,3,0.499099999666214,0.249100804328918,6,6,6,2.33999991416931,3.43899989128113
InChI%3D1S%2FC24H40O3%2Fc1-15%284-9-22%2826%2927%2919-7-8-20-18-6-5-16-14-17%2825%2910-12-23%2816%2C2%2921%2818%2911-13-24%2819%2C20%293%2Fh15-21%2C25H%2C4-14H2%2C1-3H3%2C%28H%2C26%2C27%29,30,102.640800476074,67,7,5,0,2,0.873000025749207,0.762129008769989,3,0,4,3.76999998092651,8.26299953460693
InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2,2,16.4382991790771,5,3,0,0,0,1.07290005683899,1.15111446380615,0,0,0,1.35000002384186,1.51900005340576
InChI%3D1S%2FC22H18N2O4%2Fc1-22%2816-12-14-19%2815-13-16%2927-18-10-6-3-7-11-18%2920%2825%2924%2821%2826%2928-22%2923-17-8-4-2-5-9-17%2Fh2-15%2C23H%2C1H3,31,26.6888999938965,46,0,0,18,1,-0.627399981021881,0.393630772829056,13,18,5,3.22000002861023,7.47100019454956
InChI%3D1S%2FC8H6Cl2O3%2Fc1-13-7-5%2810%293-2-4%289%296%287%298%2811%2912%2Fh2-3H%2C1H3%2C%28H%2C11%2C12%29,13,25.766300201416,19,2,0,6,1,1.19700002670288,1.43280899524689,10,6,2,1.78999996185303,1.78100001811981
InChI%3D1S%2FC6H12N2S4%2Fc1-7%282%295%289%2911-12-6%2810%298%283%294%2Fh1-4H3,11,69.2407989501953,24,12,0,0,0,3.15580010414124,9.95907402038574,3,0,5,1.46000003814697,1.54799997806549
InChI%3D1S%2FC13H16F3N3O4%2Fc1-7%282%2917%288%283%294%2912-10%2818%2820%2921%295-9%2813%2814%2C15%2916%296-11%2812%2919%2822%2923%2Fh5-8H%2C1-4H3,23,45.494800567627,39,7,3,6,0,1.12249994277954,1.2600063085556,13,6,6,1.78999996185303,5.04899978637695
InChI%3D1S%2FC9H5Cl3N4%2Fc10-5-3-1-2-4-6%285%2913-9-15-7%2811%2914-8%2812%2916-9%2Fh1-4H%2C%28H%2C13%2C14%2C15%2C16%29,17,38.875301361084,25,0,0,6,3,1.89040005207062,3.57361221313477,10,6,1,1.67999994754791,3.24499988555908
InChI%3D1S%2FC9H8N4OS%2Fc14-9%2812-8-6-10-13-15-8%2911-7-4-2-1-3-5-7%2Fh1-6H%2C%28H2%2C11%2C12%2C14%29,16,18.7709999084473,23,4,0,11,2,0.516099989414215,0.266359210014343,15,11,3,1.78999996185303,3
InChI%3D1S%2FC7H10N2O4S%2Fc1-5-4-6%288%292-3-7%285%299-13-14%2810%2C11%2912%2Fh2-4%2C9H%2C8H2%2C1H3%2C%28H%2C10%2C11%2C12%29,14,25.2938003540039,24,6,0,6,3,-1.03740000724792,1.07619881629944,13,6,3,1.46000003814697,-0.0579999983310699
InChI%3D1S%2FC25H24F6N4%2Fc1-23%282%2915-32-22%2833-16-23%2935-34-21%2813-7-17-3-9-19%2810-4-17%2924%2826%2C27%2928%2914-8-18-5-11-20%2812-6-18%2925%2829%2C30%2931%2Fh3-14H%2C15-16H2%2C1-2H3%2C%28H2%2C32%2C33%2C35%29,37,74.0213012695312,59,7,5,12,1,3.05649995803833,9.34219264984131,22,12,8,3.10999989509583,10.9490003585815
InChI%3D1S%2FC13H13Cl2N3O3%2Fc1-7%282%2916-12%2820%2917-6-11%2819%2918%2813%2817%2921%2910-4-8%2814%293-9%2815%295-10%2Fh3-5%2C7H%2C6H2%2C1-2H3%2C%28H%2C16%2C20%29,22,54.2566986083984,34,6,3,6,1,0.912500023841858,0.832656264305115,15,6,3,2.00999999046326,2.7960000038147
InChI%3D1S%2FC22H42O4%2Fc1-5-9-13-19%287-3%2917-25-21%2823%2915-11-12-16-22%2824%2926-18-20%288-4%2914-10-6-2%2Fh19-20H%2C5-18H2%2C1-4H3,25,92.5029983520508,68,26,7,0,0,-2.28920006752014,5.24043655395508,3,0,19,3.44000005722046,7.35599994659424
InChI%3D1S%2FC14H20ClNO2%2Fc1-4-11-7-6-8-12%285-2%2914%2811%2916%2810-18-3%2913%2817%299-15%2Fh6-8H%2C4-5%2C9-10H2%2C1-3H3,18,49.869800567627,38,8,2,6,0,0.475199997425079,0.225815042853355,9,6,7,2.55999994277954,3.94099998474121
InChI%3D1S%2FC16H23N3OS%2Fc1-12%282%2919-14%2817-16%283%2C4%295%2921-11-18%2815%2819%2920%2913-9-7-6-8-10-13%2Fh6-10%2C12H%2C11H2%2C1-5H3,22,62.8655014038086,44,5,3,6,0,1.60730004310608,2.58341336250305,12,6,3,2.67000007629395,4.07999992370605
InChI%3D1S%2FC12H9Cl2NO3%2Fc1-3-12%282%2910%2816%2915%2811%2817%2918-12%299-5-7%2813%294-8%2814%296-9%2Fh3-6H%2C1H2%2C2H3,19,43.1482009887695,27,2,2,6,0,2.1431999206543,4.59330606460571,12,6,2,2.11999988555908,2.87299990653992
InChI%3D1S%2FC12H14N2%2Fc1-13-7-3-11%284-8-13%2912-5-9-14%282%2910-6-12%2Fh3-10H%2C1-2H3,15,61.7238006591797,36,0,0,0,0,1.37639999389648,1.89447700977325,2,0,0,2.55999994277954,-0.225999996066093
InChI%3D1S%2FC6H6ClN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,8,9.83769989013672,14,0,0,6,1,-0.00559999980032444,3.13599994115066e-05,7,6,0,1.89999997615814,1.86199998855591
InChI%3D1S%2FC16H16N2O4%2Fc1-11-5-3-6-12%289-11%2918-16%2820%2922-14-8-4-7-13%2810-14%2917-15%2819%2921-2%2Fh3-10H%2C1-2H3%2C%28H%2C17%2C19%29%28H%2C18%2C20%29,23,30.8542003631592,38,5,0,12,2,1.68270003795624,2.83147931098938,20,12,5,2.55999994277954,5.67000007629395
InChI%3D1S%2FC7H17O2PS3%2Fc1-4-8-10%2811%2C9-5-2%2913-7-12-6-3%2Fh4-7H2%2C1-3H3,12,67.4418029785156,30,13,2,0,0,3.01279997825623,9.07696342468262,4,0,8,1.57000005245209,3.80900001525879
InChI%3D1S%2FC10H6Cl4O4%2Fc1-17-9%2815%293-5%2811%297%2813%294%2810%2816%2918-2%298%2814%296%283%2912%2Fh1-2H3,18,46.4392013549805,24,4,0,6,0,2.99959993362427,8.99760055541992,12,6,4,1.67999994754791,2.2960000038147
InChI%3D1S%2FC7H7NO2%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4H%2C8H2%2C%28H%2C9%2C10%29,10,11.4413995742798,17,3,0,6,2,-0.989700019359589,0.979506075382233,10,6,1,1.89999997615814,1.64300000667572
InChI%3D1S%2FCCl2F2%2Fc2-1%283%2C4%295,4,17.5790004730225,5,5,0,0,0,3.01099991798401,9.06612110137939,0,0,0,1.12999999523163,2.58999991416931
InChI%3D1S%2FC12H8Cl6%2Fc13-8-9%2814%2911%2816%297-5-2-1-4%283-5%296%287%2910%288%2C15%2912%2811%2C17%2918%2Fh1-2%2C4-7H%2C3H2,21,78.0286026000977,26,0,0,0,0,3.06080007553101,9.36849689483643,2,0,0,2.11999988555908,4.1560001373291
InChI%3D1S%2FC6H4Cl2N2O2%2Fc7-4-1-3%2810%2811%2912%292-5%288%296%284%299%2Fh1-2H%2C9H2,12,18.3390998840332,16,2,0,6,1,0.692099988460541,0.479002416133881,10,6,1,1.46000003814697,1.84500002861023
InChI%3D1S%2FC10H23O2PS2%2Fc1-6-9%284%2914-13%2811%2C12-8-3%2915-10%285%297-2%2Fh9-10H%2C6-8H2%2C1-5H3,14,70.0996017456055,38,15,4,0,0,0.898800015449524,0.807841420173645,3,0,8,2.00999999046326,3.22099995613098
InChI%3D1S%2FCHBr2Cl%2Fc2-1%283%294%2Fh1H,3,26.9811992645264,5,4,0,0,0,2.02480006217957,4.09981489181519,0,0,0,1.24000000953674,2.75
InChI%3D1S%2FC12H21N2O3PS%2Fc1-6-15-18%2819%2C16-7-2%2917-11-8-10%285%2913-12%2814-11%299%283%294%2Fh8-9H%2C6-7H2%2C1-5H3,19,58.980899810791,40,9,2,6,0,2.5181999206543,6.34133100509644,11,6,7,2.00999999046326,4.2960000038147
InChI%3D1S%2FC7H16N%2Fc1-8%282%296-4-3-5-7-8%2Fh3-7H2%2C1-2H3,8,,11,0,0,0,0,,,0,0,0,2.11999988555908,
InChI%3D1S%2FC6H10O%2Fc7-6-4-2-1-3-5-6%2Fh1-5H2,7,23.17919921875,17,0,0,0,0,-1.05820000171661,1.11978721618652,2,0,0,2.00999999046326,0.9200000166893
InChI%3D1S%2FC14H17Cl2NO2%2Fc1-14%287-3-2-4-8-14%2913%2819%2917-9-5-6-10%2818%2912%2816%2911%289%2915%2Fh5-6%2C18H%2C2-4%2C7-8H2%2C1H3%2C%28H%2C17%2C19%29,20,48.8604011535645,36,3,0,6,2,0.479699999094009,0.230112090706825,10,6,2,2.45000004768372,3.97199988365173
InChI%3D1S%2FC11H14ClNO%2Fc1-9%282%2913%2811%2814%298-12%2910-6-4-3-5-7-10%2Fh3-7%2C9H%2C8H2%2C1-2H3,14,32.8143997192383,28,8,2,6,0,-0.0401000007987022,0.00160801003221422,9,6,4,2.33999991416931,3.51500010490417
InChI%3D1S%2FC18H16ClNO5%2Fc1-3-22-17%2821%2911%282%2923-13-5-7-14%288-6-13%2924-18-20-15-9-4-12%2819%2910-16%2815%2925-18%2Fh4-11H%2C3H2%2C1-2H3,27,35.9766006469727,41,8,3,16,1,0.437799990177155,0.191668838262558,17,15,7,2.67000007629395,4.57600021362305
InChI%3D1S%2FC10H12O%2Fc1-3-4-9-5-7-10%2811-2%298-6-9%2Fh3-8H%2C1-2H3,11,23.3668994903564,23,3,3,6,0,0.855499982833862,0.731880247592926,9,6,2,2.45000004768372,3.97900009155273
InChI%3D1S%2FC25H28O3%2Fc1-4-27-22-15-13-21%2814-16-22%2925%282%2C3%2919-26-18-20-9-8-12-24%2817-20%2928-23-10-6-5-7-11-23%2Fh5-17H%2C4%2C18-19H2%2C1-3H3,30,37.896900177002,56,6,3,18,0,0.82779997587204,0.685252845287323,13,18,9,3.88000011444092,7.69799995422363
InChI%3D1S%2FC5H8O2%2Fc1-3-5%286%297-4-2%2Fh3H%2C1%2C4H2%2C2H3,6,26.3542995452881,15,7,3,0,0,0.862399995326996,0.743733763694763,5,0,3,1.78999996185303,0.955999970436096
InChI%3D1S%2FC22H28N2O3%2Fc1-14-11-15%282%2913-17%2812-14%2921%2826%2924%2822%284%2C5%296%2923-20%2825%2918-9-8-10-19%2827-7%2916%2818%293%2Fh8-13H%2C1-7H3%2C%28H%2C23%2C25%29,28,59.2405014038086,55,10,0,12,1,2.19140005111694,4.80223417282104,19,12,6,3.32999992370605,6.84600019454956
InChI%3D1S%2FC8H11NO2%2Fc9-5-8%2811%296-1-3-7%2810%294-2-6%2Fh1-4%2C8%2C10-11H%2C5%2C9H2,11,17.4613990783691,22,4,2,6,3,-1.70930004119873,2.92170643806458,7,6,2,2.00999999046326,0.0740000009536743
InChI%3D1S%2FC6H3N3O6%2Fc10-7%2811%294-1-5%288%2812%2913%293-6%282-4%299%2814%2915%2Fh1-3H,15,8.65740013122559,18,3,0,6,0,-0.139799997210503,0.0195440407842398,15,6,3,1.12999999523163,2.45700001716614
InChI%3D1S%2FC19H25NO4%2Fc1-11%282%299-14-15%2819%2814%2C3%294%2918%2823%2924-10-20-16%2821%2912-7-5-6-8-13%2812%2917%2820%2922%2Fh9%2C14-15H%2C5-8%2C10H2%2C1-4H3,26,87.4697036743164,49,4,3,0,0,0.97630000114441,0.953161716461182,7,0,5,3,3.19700002670288
InChI%3D1S%2FC12H13NO2S%2Fc1-9-11%2816-8-7-15-9%2912%2814%2913-10-5-3-2-4-6-10%2Fh2-6H%2C7-8H2%2C1H3%2C%28H%2C13%2C14%29,17,42.0199012756348,29,3,0,6,1,0.391799986362457,0.153507232666016,12,6,2,2.33999991416931,3.7739999294281
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H,3,21.364200592041,5,4,0,0,0,1.6172000169754,2.6153359413147,0,0,0,1.24000000953674,2.07399988174438
InChI%3D1S%2FC7H14NO5P%2Fc1-6%285-7%289%298-2%2913-14%2810%2C11-3%2912-4%2Fh5H%2C1-4H3%2C%28H%2C8%2C9%29,13,51.5987014770508,28,14,4,0,1,0.144099995493889,0.02076480910182,10,0,5,1.46000003814697,0.096000000834465
InChI%3D1S%2FC10H5Cl7O%2Fc11-3-1-2%284-5%283%2918-4%299%2815%297%2813%296%2812%298%281%2C14%2910%289%2C16%2917%2Fh1-5H,21,73.127197265625,23,0,0,0,0,3.03819990158081,9.23065948486328,2,0,0,1.67999994754791,3.03200006484985
InChI%3D1S%2FC10H16N4O2S%2Fc1-10%282%2C3%297-11-12-8%2817-7%2914-6%2815%295-13%284%299%2814%2916%2Fh6%2C15H%2C5H2%2C1-4H3,18,53.0139007568359,33,3,0,5,2,1.30490005016327,1.70276403427124,9,5,2,1.78999996185303,0.728999972343445
InChI%3D1S%2FC6H3Cl3N2O2%2Fc7-1-3%2810%292%288%295%289%2911-4%281%296%2812%2913%2Fh%28H2%2C10%2C11%29%28H%2C12%2C13%29,13,28.7747993469238,16,3,0,6,2,1.03260004520416,1.06626272201538,10,6,1,1.35000002384186,-1.49800002574921
InChI%3D1S%2FC28H31N2O3%2Fc1-6-29-23-15-25-21%2813-17%2823%294%2927%2819-11-9-10-12-20%2819%2928%2831%2932-8-3%2922-14-18%285%2924%2830-7-2%2916-26%2822%2933-25%2Fh9-16%2C29-30H%2C6-8H2%2C1-5H3,36,59.1339988708496,65,5,2,18,2,1.32210004329681,1.74794840812683,15,18,8,3.99000000953674,6.76300001144409
InChI%3D1S%2FC12H12ClN5O4S%2Fc1-7-14-10%2817-12%2815-7%2922-2%2916-11%2819%2918-23%2820%2C21%299-6-4-3-5-8%289%2913%2Fh3-6H%2C1-2H3%2C%28H2%2C14%2C15%2C16%2C17%2C18%2C19%29,24,55.9939002990723,39,7,0,6,4,-0.286500006914139,0.082082249224186,16,6,4,1.57000005245209,2.26200008392334
InChI%3D1S%2FC12H10%2Fc1-3-7-11%288-4-1%2912-9-5-2-6-10-12%2Fh1-10H,13,0,22,0,0,12,0,0,0,12,12,1,2.77999997138977,7.29199981689453
InChI%3D1S%2FC15H11ClF3NO4%2Fc1-8%2814%2821%2922%2923-10-2-4-11%285-3-10%2924-13-12%2816%296-9%287-20-13%2915%2817%2C18%2919%2Fh2-8H%2C1H3%2C%28H%2C21%2C22%29,25,31.7292003631592,35,6,3,12,1,1.18859994411469,1.4127699136734,14,12,6,2.11999988555908,4.46199989318848
InChI%3D1S%2FC9H8Cl2O3%2Fc1-5%289%2812%2913%2914-8-3-2-6%2810%294-7%288%2911%2Fh2-5H%2C1H3%2C%28H%2C12%2C13%29,14,29.2910995483398,22,6,3,6,1,0.988900005817413,0.977923214435577,7,6,3,1.89999997615814,2.45199990272522
InChI%3D1S%2FC12H15N3O2S%2Fc1-3-6-18-8-4-5-9-10%287-8%2914-11%2813-9%2915-12%2816%2917-2%2Fh4-5%2C7H%2C3%2C6H2%2C1-2H3%2C%28H2%2C13%2C14%2C15%2C16%29,19,36.8404006958008,32,5,3,10,3,0.936999976634979,0.877969026565552,8,6,5,2.11999988555908,3.3840000629425
InChI%3D1S%2FC4H8Cl3O4P%2Fc1-10-12%289%2C11-2%293%288%294%285%2C6%297%2Fh3%2C8H%2C1-2H3,11,47.5918006896973,20,12,2,0,1,1.23819994926453,1.5331392288208,4,0,4,1.01999998092651,0.52700001001358
InChI%3D1S%2FC15H15ClN4O6S%2Fc1-3-26-13%2821%299-6-4-5-7-10%289%2927%2823%2C24%2920-15%2822%2919-14-17-11%2816%298-12%2818-14%2925-2%2Fh4-8H%2C3H2%2C1-2H3%2C%28H2%2C17%2C18%2C19%2C20%2C22%29,28,49.3193016052246,42,7,2,12,2,0.24379999935627,0.0594384409487247,23,12,8,1.78999996185303,2.87100005149841
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%2C1H3,24,33.7296981811523,43,7,4,12,0,-0.683700025081635,0.467445701360703,12,12,9,3.10999989509583,6.59200000762939
InChI%3D1S%2FC18H22N2O2%2Fc1-12%282%2919-10-13%2821%2911-22-17-9-5-8-16-18%2817%2914-6-3-4-7-15%2814%2920-16%2Fh3-9%2C12-13%2C19-21H%2C10-11H2%2C1-2H3,24,35.5013008117676,43,9,3,15,3,-1.00979995727539,1.01969599723816,14,12,6,3,3.35999989509583
InChI%3D1S%2FC10H15N5%2Fc11-9%2812%2915-10%2813%2914-7-6-8-4-2-1-3-5-8%2Fh1-5H%2C6-7H2%2C%28H6%2C11%2C12%2C13%2C14%2C15%29,15,29.0634002685547,30,9,2,6,5,-0.160500004887581,0.0257602501660585,7,6,6,2.00999999046326,3.68300008773804
InChI%3D1S%2FC6H11NO%2Fc8-6-4-2-1-3-5-7-6%2Fh1-5H2%2C%28H%2C7%2C8%29,8,26.2858009338379,19,0,0,0,1,-1.12339997291565,1.26202750205994,3,0,0,1.89999997615814,0.822000026702881
InChI%3D1S%2FC8H10O5%2Fc9-7%2810%295-3-1-2-4%2813-3%296%285%298%2811%2912%2Fh3-6H%2C1-2H2%2C%28H%2C9%2C10%29%28H%2C11%2C12%29,14,35.9198989868164,23,3,0,0,2,-1.59990000724792,2.55967998504639,3,0,2,1.78999996185303,-0.790000021457672
InChI%3D1S%2FC11H15NO2S%2Fc1-7-5-9%2814-11%2813%2912-3%296-8%282%2910%287%2915-4%2Fh5-6H%2C1-4H3%2C%28H%2C12%2C13%29,15,39.7386016845703,30,5,0,6,1,2.2121000289917,4.89338636398315,10,6,3,2.23000001907349,3.38800001144409
InChI%3D1S%2FC15H16F3N5O4S%2Fc1-9-19-12%2822-14%2820-9%2927-2%2921-13%2824%2923-28%2825%2C26%2911-6-4-3-5-10%2811%297-8-15%2816%2C17%2918%2Fh3-6H%2C7-8H2%2C1-2H3%2C%28H2%2C19%2C20%2C21%2C22%2C23%2C24%29,29,64.5898971557617,48,7,3,6,4,-0.158299997448921,0.0250588897615671,16,6,7,1.67999994754791,4.20699977874756
InChI%3D1S%2FC15H14O2%2Fc1-2-6-12%287-3-1%2914-8-4-5-9-15%2814%2917-11-13-10-16-13%2Fh1-9%2C13H%2C10-11H2,19,16.0604991912842,31,2,0,12,0,-0.335399985313416,0.11249315738678,13,12,4,2.89000010490417,5.2189998626709
InChI%3D1S%2FC5H13ClN%2Fc1-7%282%2C3%295-4-6%2Fh4-5H2%2C1-3H3,6,,11,7,2,0,0,,,0,0,2,1.78999996185303,
InChI%3D1S%2FAsH3O4%2Fc2-1%283%2C4%295%2Fh%28H3%2C2%2C3%2C4%2C5%29%2Fp-3,4,1.44289994239807,5,5,0,0,0,-2.40560007095337,5.78691148757935,5,0,0,0.910000026226044,-0.152999997138977
InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2,2,14.7774000167847,6,3,0,0,0,1.00199997425079,1.00400400161743,2,0,0,1.57000005245209,1.54900002479553
InChI%3D1S%2FC19H14F3NO%2Fc1-23-11-16%2813-6-3-2-4-7-13%2918%2824%2917%2812-23%2914-8-5-9-15%2810-14%2919%2820%2C21%2922%2Fh2-12H%2C1H3,26,37.0429000854492,42,3,0,12,0,0.683600008487701,0.467308968305588,6,12,3,3,6.36899995803833
InChI%3D1S%2FC14H18N2O5%2Fc1-21-14%2820%2911%287-9-5-3-2-4-6-9%2916-13%2819%2910%2815%298-12%2817%2918%2Fh2-6%2C10-11H%2C7-8%2C15H2%2C1H3%2C%28H%2C16%2C19%29%28H%2C17%2C18%29,21,47.9664001464844,39,15,4,6,3,-1.27709996700287,1.63098442554474,6,6,8,2.23000001907349,1.92299997806549
InChI%3D1S%2FC19H21ClN2O%2Fc20-16-12-10-15%2811-13-16%2914-22%2818-8-4-5-9-18%2919%2823%2921-17-6-2-1-3-7-17%2Fh1-3%2C6-7%2C10-13%2C18H%2C4-5%2C8-9%2C14H2%2C%28H%2C21%2C23%29,25,36.3496017456055,44,5,0,12,1,-0.521000027656555,0.271441012620926,10,12,5,3.10999989509583,6.93499994277954
InChI%3D1S%2FCH2O%2Fc1-2%2Fh1H2,1,6.30700016021729,4,1,0,0,0,-0.884100019931793,0.781632781028748,1,0,0,1.46000003814697,0.0209999997168779
InChI%3D1S%2FC11H15NO2%2Fc1-7-5-8%282%299%283%2910%286-7%2914-11%2813%2912-4%2Fh5-6H%2C1-4H3%2C%28H%2C12%2C13%29,14,31.7504997253418,29,5,0,6,1,2.16120004653931,4.67078542709351,10,6,2,2.33999991416931,3.76600003242493
InChI%3D1S%2FC6H6O%2Fc7-6-4-2-1-3-5-6%2Fh1-5%2C7H,7,2.56459999084473,13,0,0,6,1,-0.460299998521805,0.211876094341278,7,6,0,2.00999999046326,2.04399991035461
InChI%3D1S%2FC10H20O%2Fc1-7%282%299-5-4-8%283%296-10%289%2911%2Fh7-11H%2C4-6H2%2C1-3H3,11,44.9238014221191,31,2,0,0,1,0.656300008296967,0.430729687213898,0,0,1,2.45000004768372,3.21099996566772
InChI%3D1S%2FC15H22ClNO2%2Fc1-5-13-8-6-7-11%282%2915%2813%2917%2814%2818%299-16%2912%283%2910-19-4%2Fh6-8%2C12H%2C5%2C9-10H2%2C1-4H3,19,54.7962989807129,41,10,3,6,0,0.817300021648407,0.667979300022125,9,6,7,2.67000007629395,3.6949999332428
InChI%3D1S%2FC8H7N3O5%2Fc1-4-6%288%289%2912%292-5%2810%2813%2914%293-7%284%2911%2815%2916%2Fh2-3H%2C1H3%2C%28H2%2C9%2C12%29,16,19.7500991821289,23,3,0,6,2,0.467200011014938,0.218275845050812,15,6,3,1.46000003814697,2.32500004768372
InChI%3D1S%2FC39H42N3O6S2%2Fc1-5-41%2827-29-9-7-11-37%2825-29%2949%2843%2C44%2945%2935-21-15-32%2816-22-35%2939%2831-13-19-34%2820-14-31%2940%283%294%2933-17-23-36%2824-18-33%2942%286-2%2928-30-10-8-12-38%2826-30%2950%2846%2C47%2948%2Fh7-26H%2C5-6%2C27-28H2%2C1-4H3%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29,54,103.245101928711,93,4,2,24,2,0.851599991321564,0.725222587585449,20,24,13,4.53999996185303,7.28900003433228
InChI%3D1S%2FC17H21NO2%2Fc1-4-18%285-2%2917%2819%2913%283%2920-16-12-8-10-14-9-6-7-11-15%2814%2916%2Fh6-13H%2C4-5H2%2C1-3H3,21,38.2630996704102,41,10,3,11,0,-0.189300000667572,0.0358344912528992,11,10,6,3,4.91400003433228
InChI%3D1S%2FC12H16N3O3PS%2Fc1-3-16-19%2820%2C17-4-2%2918-12-13-10-15%2814-12%2911-8-6-5-7-9-11%2Fh5-10H%2C3-4H2%2C1-2H3,21,41.8786010742188,36,9,2,11,2,1.51900005340576,2.30736088752747,8,6,7,1.89999997615814,4.41200017929077
InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H,3,24.172700881958,5,4,0,0,0,1.82099997997284,3.31604099273682,0,0,0,1.24000000953674,2.41199994087219
InChI%3D1S%2FC8H8O3%2Fc1-11-8%2810%296-4-2-3-5-7%286%299%2Fh2-5%2C9H%2C1H3,11,14.5530004501343,19,4,0,6,1,-0.449099987745285,0.201690807938576,10,6,2,2.00999999046326,2.03099989891052
InChI%3D1S%2FC11H15NO3%2Fc1-8%282%2914-9-6-4-5-7-10%289%2915-11%2813%2912-3%2Fh4-8H%2C1-3H3%2C%28H%2C12%2C13%29,15,32.0586013793945,30,5,0,6,1,0.133300006389618,0.0177688896656036,11,6,4,2.23000001907349,3.23600006103516
InChI%3D1S%2FC8H10O%2Fc1-6-4-3-5-7%282%298%286%299%2Fh3-5%2C9H%2C1-2H3,9,13.5687999725342,19,0,0,6,1,0.82370001077652,0.678481698036194,7,6,0,2.23000001907349,2.26799988746643
InChI%3D1S%2FC6H10O%2Fc1-4-6%283%2C7%295-2%2Fh1%2C7H%2C5H2%2C2-3H3,6,27.1746006011963,17,7,5,0,1,0.222499996423721,0.0495062507688999,2,0,1,2.00999999046326,0.763000011444092
InChI%3D1S%2FC11H19N3O%2Fc1-4-6-7-9-8%283%2913-11%2812-5-2%2914-10%289%2915%2Fh4-7H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%29,15,55.0186004638672,38,4,4,0,3,-1.24339997768402,1.54604351520538,4,0,4,2.23000001907349,2.58200001716614
InChI%3D1S%2FC17H12ClFN2O%2Fc18-16-4-2-1-3-15%2816%2917%2822%2C13-9-20-11-21-10-13%2912-5-7-14%2819%298-6-12%2Fh1-11%2C22H,24,11.3556995391846,34,1,0,18,1,0.478799998760223,0.229249432682991,6,18,3,2.77999997138977,4.2960000038147
InChI%3D1S%2FC7H13O6P%2Fc1-6%285-7%288%2910-2%2913-14%289%2C11-3%2912-4%2Fh5H%2C1-4H3,13,49.6941986083984,27,14,4,0,0,0.470899999141693,0.221746817231178,10,0,6,1.46000003814697,0.0430000014603138
InChI%3D1S%2FC9H18N2O2S%2Fc1-9%282%2C3%297%286-14-5%2911-13-8%2812%2910-4%2Fh6H2%2C1-5H3%2C%28H%2C10%2C12%29,13,59.0262985229492,32,14,4,0,1,2.17689990997314,4.73889350891113,6,0,5,1.89999997615814,2.37199997901917
InChI%3D1S%2FC7H6N2O4%2Fc8-6-3-4%289%2812%2913%291-2-5%286%297%2810%2911%2Fh1-3H%2C8H2%2C%28H%2C10%2C11%29,13,14.3271999359131,19,3,0,6,2,-1.03629994392395,1.07391774654388,13,6,2,1.57000005245209,1.31900000572205
InChI%3D1S%2FC8H18NO4PS2%2Fc1-9-8%2810%294-5-15-6-7-16-14%2811%2C12-2%2913-3%2Fh4-7H2%2C1-3H3%2C%28H%2C9%2C10%29,15,69.2175979614258,34,16,3,0,1,1.00870001316071,1.01747572422028,4,0,9,1.46000003814697,0.861000001430511
InChI%3D1S%2FC19H20FN3O3%2Fc1-21-7-12-4-11%2821%298-22%2812%2917-6-16-13%285-15%2817%2920%2918%2824%2914%2819%2825%2926%299-23%2816%2910-2-3-10%2Fh5-6%2C9-12H%2C2-4%2C7-8H2%2C1H3%2C%28H%2C25%2C26%29,30,64.5151977539062,48,2,0,6,1,-1.00709998607635,1.01425039768219,10,6,3,2.77999997138977,1.07400000095367
InChI%3D1S%2FC9H20N2O2%2Fc1-4-8-13-9%2812%2910-6-5-7-11%282%293%2Fh4-8H2%2C1-3H3%2C%28H%2C10%2C12%29,12,49.7907981872559,33,13,3,0,1,-0.0271000005304813,0.00073441001586616,4,0,7,2.00999999046326,1.29100000858307
InChI%3D1S%2FC22H18Cl2FNO3%2Fc1-22%282%2915%2811-19%2823%2924%2920%2822%2921%2827%2929-18%2812-26%2913-8-9-16%2825%2917%2810-13%2928-14-6-4-3-5-7-14%2Fh3-11%2C15%2C18%2C20H%2C1-2H3,31,59.9626998901367,47,6,2,12,0,2.19899988174438,4.83560085296631,13,12,7,3.10999989509583,6.86800003051758
InChI%3D1S%2FC10H12N3O3PS2%2Fc1-15-17%2818%2C16-2%2919-7-13-10%2814%298-5-3-4-6-9%288%2911-12-13%2Fh3-6H%2C7H2%2C1-2H3,20,55.1116981506348,33,8,0,6,2,0.0930999964475632,0.00866760965436697,11,6,5,1.57000005245209,3.60999989509583
InChI%3D1S%2FC3H4Cl2O2%2Fc1-3%284%2C5%292%286%297%2Fh1H3%2C%28H%2C6%2C7%29,6,27.6229991912842,11,7,3,0,1,0.898899972438812,0.808021187782288,3,0,1,1.35000002384186,0.772000014781952
InChI%3D1S%2FC3H6N6O6%2Fc10-7%2811%294-1-5%288%2812%2913%293-6%282-4%299%2814%2915%2Fh1-3H2,15,28.8591003417969,21,3,0,0,0,-1.65719997882843,2.74631190299988,4,0,3,0.469999998807907,0.699000000953674
InChI%3D1S%2FC4H7Cl2O4P%2Fc1-8-11%287%2C9-2%2910-3-4%285%296%2Fh3H%2C1-2H3,10,42.2757987976074,18,11,2,0,0,1.03320002555847,1.06750226020813,7,0,4,1.12999999523163,1.20700001716614
InChI%3D1S%2FC16H17NO%2Fc1-17%282%2916%2818%2915%2813-9-5-3-6-10-13%2914-11-7-4-8-12-14%2Fh3-12%2C15H%2C1-2H3,19,22.4564990997314,35,6,2,12,0,-0.574899971485138,0.330510020256042,6,12,4,3,6.21199989318848
InChI%3D1S%2FC17H21ClN2O2S%2Fc1-11-15%2812-7-9-13%2818%2910-8-12%2923-17%2822%2920%2811%2916%2821%2919-14-5-3-2-4-6-14%2Fh7-11%2C14-15H%2C2-6H2%2C1H3%2C%28H%2C19%2C21%29,25,59.8861999511719,44,3,0,6,1,0.00329999998211861,1.08900003397139e-05,6,6,3,2.67000007629395,5.04899978637695
InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3,13,11.273699760437,19,3,0,6,0,0.548799991607666,0.301181435585022,12,6,2,1.57000005245209,2.68199992179871
InChI%3D1S%2FC19H18ClN3O4%2Fc1-25-19%2824%2923%2826-2%2917-6-4-3-5-14%2817%2913-27-18-11-12-22%2821-18%2916-9-7-15%2820%298-10-16%2Fh3-12H%2C13H2%2C1-2H3,29,36.6501998901367,45,7,0,17,1,0.581499993801117,0.338142246007919,11,12,8,2.67000007629395,4.63500022888184
InChI%3D1S%2FC12H13ClF3N3O4%2Fc1-2-4-17%285-3-13%2911-9%2818%2820%2921%296-8%2812%2814%2C15%2916%297-10%2811%2919%2822%2923%2Fh6-7H%2C2-5H2%2C1H3,23,43.6666984558105,36,7,3,6,0,1.56050002574921,2.4351601600647,13,6,8,1.57000005245209,4.8289999961853
InChI%3D1S%2FC6H8N2O%2Fc7-4-1-2-6%289%295%288%293-4%2Fh1-3%2C9H%2C7-8H2,9,11.0087995529175,17,0,0,6,3,-1.96010005474091,3.84199190139771,9,6,0,1.78999996185303,0.202000007033348
InChI%3D1S%2FC10H5Cl2NO2%2Fc11-6-3-5-1-2-7%2812%298%2810%2814%2915%299%285%2913-4-6%2Fh1-4H%2C%28H%2C14%2C15%29,16,18.4505004882812,20,2,0,11,1,1.24880003929138,1.55950140953064,13,10,1,2.00999999046326,2.24600005149841
InChI%3D1S%2FC19H34O3%2Fc1-15%282%2922-18%2820%2914-17%284%2911-8-10-16%283%2912-9-13-19%285%2C6%2921-7%2Fh8%2C11%2C14-16H%2C9-10%2C12-13H2%2C1-7H3,21,92.6307983398438,56,22,12,0,0,2.19770002365112,4.82988548278809,7,0,11,3.22000002861023,5.90500020980835
InChI%3D1S%2FC10H7N3S%2Fc1-2-4-8-7%283-1%2912-10%2813-8%299-5-14-6-11-9%2Fh1-6H%2C%28H%2C12%2C13%29,16,7.79349994659424,20,0,0,15,3,0.59060001373291,0.348808348178864,8,11,1,2.11999988555908,2.50099992752075
InChI%3D1S%2FC10H14N2O5%2Fc13-4-3-11-9-2-1-8%2812%2815%2916%297-10%289%2917-6-5-14%2Fh1-2%2C7%2C11%2C13-14H%2C3-6H2,17,31.7828998565674,31,4,2,6,3,-1.49530005455017,2.23592209815979,11,6,7,1.78999996185303,0.180999994277954
InChI%3D1S%2FC15H16F5NO2S2%2Fc1-6%282%295-7-8%2813%2822%2924-3%2910%2812%2816%2917%2921-11%2815%2818%2C19%2920%299%287%2914%2823%2925-4%2Fh6%2C12H%2C5H2%2C1-4H3,25,67.8653030395508,41,4,3,6,0,3.73480010032654,13.9487314224243,10,6,8,2.00999999046326,5.88700008392334
InChI%3D1S%2FC8H5Cl3O3%2Fc9-4-1-6%2811%297%282-5%284%2910%2914-3-8%2812%2913%2Fh1-2H%2C3H2%2C%28H%2C12%2C13%29,14,30.247200012207,19,5,2,6,1,1.63719999790192,2.68042373657227,7,6,3,1.67999994754791,2.0220000743866
InChI%3D1S%2FC9H16ClN5%2Fc1-5%282%2911-8-13-7%2810%2914-9%2815-8%2912-6%283%294%2Fh5-6H%2C1-4H3%2C%28H2%2C11%2C12%2C13%2C14%2C15%29,15,59.4832000732422,33,4,3,0,3,0.470499992370605,0.221370249986649,7,0,2,1.78999996185303,2.71000003814697
InChI%3D1S%2FC10H15OPS2%2Fc1-3-11-12%2813%2C4-2%2914-10-8-6-5-7-9-10%2Fh5-9H%2C3-4H2%2C1-2H3,14,42.0513000488281,29,8,2,6,0,1.18789994716644,1.41110646724701,6,6,5,2.11999988555908,5.31199979782104
InChI%3D1S%2FC6H7NO%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4%2C8H%2C7H2,8,6.7866997718811,15,0,0,6,2,-1.21019995212555,1.46458399295807,8,6,0,1.89999997615814,0.802999973297119
InChI%3D1S%2FC14H18N4O3%2Fc1-3-4-9-15-13%2819%2918-11-8-6-5-7-10%2811%2916-12%2818%2917-14%2820%2921-2%2Fh5-8H%2C3-4%2C9H2%2C1-2H3%2C%28H%2C15%2C19%29%28H%2C16%2C17%2C20%29,22,42.7491989135742,39,7,4,10,3,-0.240299999713898,0.0577440895140171,11,6,6,2.23000001907349,4.42799997329712
InChI%3D1S%2FC22H14Cl2I2N2O2%2Fc1-11-6-15%2817%2810-27%2912-2-4-13%2823%295-3-12%2918%2824%299-20%2811%2928-22%2830%2916-7-14%2825%298-19%2826%2921%2816%2929%2Fh2-9%2C17%2C29H%2C1H3%2C%28H%2C28%2C30%29,32,64.4520034790039,44,3,2,18,2,3.76570010185242,14.1804962158203,16,18,5,3,6.67799997329712
InChI%3D1S%2FC18H13ClF3NO7%2Fc1-2-28-16%2824%299-29-17%2825%2912-8-11%284-5-14%2812%2923%2826%2927%2930-15-6-3-10%287-13%2815%2919%2918%2820%2C21%2922%2Fh3-8H%2C2%2C9H2%2C1H3,31,43.6910018920898,43,9,2,12,0,1.61039996147156,2.59338808059692,19,12,10,2.11999988555908,5.46500015258789
InChI%3D1S%2FC6H3Cl4N%2Fc7-5-3-1-2-4%2811-5%296%288%2C9%2910%2Fh1-3H,11,27.0412006378174,14,3,0,6,0,2.22189998626709,4.93683958053589,6,6,1,1.57000005245209,3.79099988937378
InChI%3D1S%2FC15H21NO4%2Fc1-10-7-6-8-11%282%2914%2810%2916%2813%2817%299-19-4%2912%283%2915%2818%2920-5%2Fh6-8%2C12H%2C9H2%2C1-5H3,20,51.5334014892578,41,12,3,6,0,0.300999999046326,0.090600997209549,9,6,7,2.55999994277954,2.32999992370605
InChI%3D1S%2FC9H11Cl3NO3PS%2Fc1-3-14-17%2818%2C15-4-2%2916-9-7%2811%295-6%2810%298%2812%2913-9%2Fh5H%2C3-4H2%2C1-2H3,18,56.3139991760254,29,9,2,6,0,3.52810001373291,12.4474897384644,11,6,6,1.46000003814697,4.21600008010864
InChI%3D1S%2FC8H10O%2Fc1-6-3-4-8%289%295-7%286%292%2Fh3-5%2C9H%2C1-2H3,9,13.5687999725342,19,0,0,6,1,0.82370001077652,0.678481698036194,7,6,0,2.23000001907349,2.69000005722046
InChI%3D1S%2FC10H12O3%2Fc1-2-7-13-10%2812%298-3-5-9%2811%296-4-8%2Fh3-6%2C11H%2C2%2C7H2%2C1H3,13,22.3787994384766,25,6,3,6,1,-0.77649998664856,0.602952241897583,10,6,4,2.23000001907349,2.17199993133545
InChI%3D1S%2FC12H14N4O2S%2Fc1-8-7-9%282%2915-12%2814-8%2916-19%2817%2C18%2911-5-3-10%2813%294-6-11%2Fh3-7H%2C13H2%2C1-2H3%2C%28H%2C14%2C15%2C16%29,20,26.8286991119385,33,4,0,12,2,-0.807399988174438,0.651894748210907,17,12,3,2.00999999046326,1.73399996757507
InChI%3D1S%2FC16H15Cl3O2%2Fc1-20-13-7-3-11%284-8-13%2915%2816%2817%2C18%2919%2912-5-9-14%2821-2%2910-6-12%2Fh3-10%2C15H%2C1-2H3,22,39.1435012817383,36,5,2,12,0,1.55030000209808,2.40342998504639,7,12,5,2.67000007629395,5.94000005722046
InChI%3D1S%2FC10H5Cl7%2Fc11-4-2-1-3-5%284%299%2815%297%2813%296%2812%298%283%2C14%2910%289%2C16%2917%2Fh1-5H,19,75.8010025024414,22,0,0,0,0,4.0327000617981,16.2626686096191,2,0,0,1.78999996185303,3.54999995231628
InChI%3D1S%2FC20H33NO%2Fc1-15%2812-21-13-16%282%2922-17%283%2914-21%2911-18-7-9-19%2810-8-18%2920%284%2C5%296%2Fh7-10%2C15-17H%2C11-14H2%2C1-6H3,23,69.6635971069336,55,4,3,6,0,1.90649998188019,3.63474225997925,6,6,5,3.44000005722046,7.14300012588501
InChI%3D1S%2FC12H18N2O2%2Fc1-8-6-10%2816-12%2815%2913-3%297-9%282%2911%288%2914%284%295%2Fh6-7H%2C1-5H3%2C%28H%2C13%2C15%29,16,40.5397987365723,34,5,0,6,1,1.73699998855591,3.01716899871826,11,6,3,2.33999991416931,2.61999988555908
InChI%3D1S%2FC10H7NO2%2Fc12-11%2813%2910-7-3-5-8-4-1-2-6-9%288%2910%2Fh1-7H,14,2.88579988479614,20,3,0,11,0,-0.0465999990701675,0.00217155995778739,13,10,1,2.23000001907349,4.55900001525879
InChI%3D1S%2FC12H6F2N2O2%2Fc13-12%2814%2917-10-3-1-2-8%2811%2810%2918-12%299-6-16-5-7%289%294-15%2Fh1-3%2C5-6%2C16H,20,14.743200302124,23,2,0,11,1,1.76629996299744,3.11981558799744,8,6,1,2.11999988555908,1.99300003051758
InChI%3D1S%2FC9H12NO5PS%2Fc1-7-6-8%284-5-9%287%2910%2811%2912%2915-16%2817%2C13-2%2914-3%2Fh4-6H%2C1-3H3,17,38.7808990478516,29,7,0,6,0,1.6003999710083,2.56128025054932,14,6,5,1.57000005245209,3.59200000762939
InChI%3D1S%2FC12H6Cl4O2S%2Fc13-7-1-3-8%284-2-7%2919%2817%2C18%2912-6-10%2815%299%2814%295-11%2812%2916%2Fh1-6H,20,31.1040000915527,25,2,0,12,0,2.55200004577637,6.51270389556885,15,12,2,2.00999999046326,4.17799997329712
InChI%3D1S%2FC17H19NO4%2Fc1-2-20-17%2819%2918-12-13-21-14-8-10-16%2811-9-14%2922-15-6-4-3-5-7-15%2Fh3-11H%2C2%2C12-13H2%2C1H3%2C%28H%2C18%2C19%29,23,32.2939987182617,41,9,2,12,1,0.312700003385544,0.0977812930941582,14,12,8,2.77999997138977,4.96299982070923
InChI%3D1S%2FC7H5NS2%2Fc9-7-8-5-3-1-2-4-6%285%2910-7%2Fh1-4H%2C%28H%2C8%2C9%29,11,16.4850997924805,15,0,0,10,1,1.10160005092621,1.21352255344391,9,9,0,1.89999997615814,2.52800011634827
InChI%3D1S%2FC21H22ClNO4%2Fc1-25-19-8-5-16%2813-20%2819%2926-2%2918%2815-3-6-17%2822%297-4-15%2914-21%2824%2923-9-11-27-12-10-23%2Fh3-8%2C13-14H%2C9-12H2%2C1-2H3,29,57.1800003051758,49,4,3,12,0,0.0636999979615211,0.00405769003555179,19,12,6,3.10999989509583,3.55299997329712
InChI%3D1S%2FC9H10ClN5O2%2Fc10-8-2-1-7%285-12-8%296-14-4-3-11-9%2814%2913-15%2816%2917%2Fh1-2%2C5H%2C3-4%2C6H2%2C%28H%2C11%2C13%29,18,34.1375007629395,27,4,0,6,1,-0.171800002455711,0.0295152403414249,7,6,4,1.57000005245209,2.48499989509583
InChI%3D1S%2FC17H29NO3S%2Fc1-5-8-14%2818-21-6-2%2917-15%2819%2910-13%2811-16%2817%2920%299-12%284%2922-7-3%2Fh12-13%2C17H%2C5-11H2%2C1-4H3,22,89.3193969726562,51,8,4,0,0,0.182099997997284,0.0331604108214378,3,0,9,2.77999997138977,3.06900000572205
InChI%3D1S%2FC9H10Cl2N2O%2Fc1-13%282%299%2814%2912-6-3-4-7%2810%298%2811%295-6%2Fh3-5H%2C1-2H3%2C%28H%2C12%2C14%29,14,33.6021003723145,24,6,0,6,1,1.61870002746582,2.62018966674805,10,6,2,1.89999997615814,3.28600001335144
InChI%3D1S%2FC13H15N3O3%2Fc1-7%282%2913%283%2912%2819%2915-10%2816-13%299-8%2811%2817%2918%295-4-6-14-9%2Fh4-7H%2C1-3H3%2C%28H%2C17%2C18%29%28H%2C15%2C16%2C19%29,20,42.9626998901367,34,3,0,6,2,-0.758599996566772,0.575473964214325,14,6,3,2.23000001907349,1.81400001049042
InChI%3D1S%2FC8H19O2PS3%2Fc1-4-9-11%2812%2C10-5-2%2914-8-7-13-6-3%2Fh4-8H2%2C1-3H3,13,72.6323013305664,33,14,2,0,0,3.03049993515015,9.18393039703369,4,0,9,1.67999994754791,4.16699981689453
InChI%3D1S%2FC21H28O2%2Fc1-13%282%2917-11-15%287-9-19%2817%2922%2921%285%2C6%2916-8-10-20%2823%2918%2812-16%2914%283%294%2Fh7-14%2C22-23H%2C1-6H3,24,47.2895011901855,51,3,3,12,2,1.13940000534058,1.29823231697083,7,12,4,3.54999995231628,7.31699991226196
InChI%3D1S%2FC2H4N4%2Fc3-2-4-1-5-6-2%2Fh1H%2C%28H3%2C3%2C4%2C5%2C6%29,6,18.7336006164551,12,0,0,0,4,-0.884400010108948,0.782163381576538,5,0,0,1.24000000953674,0.347000002861023
InChI%3D1S%2FC15H14Cl2F3N3O3%2Fc1-3-26-13%2824%2910%2817%294-8-5-12%2811%2818%296-9%288%2916%2923-15%2825%2922%2814%2819%2920%297%282%2921-23%2Fh5-6%2C10%2C14H%2C3-4H2%2C1-2H3,27,63.9749984741211,42,8,3,6,1,2.48460006713867,6.17323732376099,11,6,7,1.89999997615814,4.11600017547607
InChI%3D1S%2FC14H7ClF3NO5%2Fc15-10-5-7%2814%2816%2C17%2918%291-4-12%2810%2924-8-2-3-11%2819%2822%2923%299%286-8%2913%2820%2921%2Fh1-6H%2C%28H%2C20%2C21%29,25,23.7744007110596,31,3,0,12,1,1.40190005302429,1.96532356739044,19,12,5,1.89999997615814,5.01800012588501
InChI%3D1S%2FC17H17N3O3%2Fc1-9%282%2917%283%2916%2823%2919-14%2820-17%2913-11%2815%2821%2922%298-10-6-4-5-7-12%2810%2918-13%2Fh4-9H%2C1-3H3%2C%28H%2C21%2C22%29%28H%2C19%2C20%2C23%29,25,42.9626998901367,40,3,0,11,2,-0.758599996566772,0.575473964214325,18,10,3,2.67000007629395,3.44199991226196
InChI%3D1S%2FC8Cl4N2%2Fc9-5-3%281-13%296%2810%298%2812%297%2811%294%285%292-14,14,34.8596000671387,14,2,0,6,0,3.0466001033783,9.28177165985107,10,6,0,1.67999994754791,1.87600004673004
InChI%3D1S%2FC6H8O6%2Fc7-1-2%288%295-3%289%294%2810%296%2811%2912-5%2Fh2%2C5%2C7-10H%2C1H2,12,36.4584999084473,20,4,2,0,4,-1.75929999351501,3.09513640403748,7,0,2,1.46000003814697,-0.178000003099442
InChI%3D1S%2FC14H16F3N3O4%2Fc1-2-5-18%288-9-3-4-9%2913-11%2819%2821%2922%296-10%2814%2815%2C16%2917%297-12%2813%2920%2823%2924%2Fh6-7%2C9H%2C2-5%2C8H2%2C1H3,25,45.0452995300293,40,5,3,6,0,1.00969994068146,1.01949405670166,13,6,8,1.89999997615814,4.80200004577637
InChI%3D1S%2FC9H17ClN3O3PS%2Fc1-5-14-17%2818%2C15-6-2%2916-9-11-8%2810%2913%2812-9%297%283%294%2Fh7H%2C5-6H2%2C1-4H3,18,63.0660018920898,35,9,2,5,2,1.87080001831055,3.4998927116394,5,0,7,1.46000003814697,3.26799988746643
InChI%3D1S%2FC6H13N%2Fc7-6-4-2-1-3-5-6%2Fh6H%2C1-5%2C7H2,7,22.17799949646,20,0,0,0,1,-2.24029994010925,5.01894426345825,0,0,0,2.00999999046326,1.26199996471405
InChI%3D1S%2FC19H20F3NO4%2Fc1-3-4-11-25-18%2824%2913%282%2926-15-6-8-16%289-7-15%2927-17-10-5-14%2812-23-17%2919%2820%2C21%2922%2Fh5-10%2C12-13H%2C3-4%2C11H2%2C1-2H3,28,41.6200981140137,47,10,4,12,0,0.0798999965190887,0.00638400996103883,14,12,10,2.67000007629395,6.03700017929077
InChI%3D1S%2FC3H8O3%2Fc4-1-3%286%292-5%2Fh3-6H%2C1-2H2,5,20.5160999298096,14,6,3,0,3,-1.40810000896454,1.98274564743042,0,0,2,1.46000003814697,-1.87999999523163
InChI%3D1S%2FC13H11Cl2NO2%2Fc1-12-6-13%2812%2C2%2911%2818%2916%2810%2812%2917%299-4-7%2814%293-8%2815%295-9%2Fh3-5H%2C6H2%2C1-2H3,20,44.4603996276855,29,0,0,6,0,1.73090004920959,2.99601483345032,11,6,1,2.33999991416931,1.98599994182587
InChI%3D1S%2FC19H15ClF3NO7%2Fc1-3-29-17%2825%2910%282%2930-18%2826%2913-9-12%285-7-15%2813%2924%2827%2928%2931-16-8-11%2819%2821%2C22%2923%294-6-14%2816%2920%2Fh4-10H%2C3H2%2C1-2H3,32,48.3504981994629,46,10,3,12,0,1.70640003681183,2.91180086135864,19,12,10,2.23000001907349,5.99100017547607
InChI%3D1S%2FC13H22NO3PS%2Fc1-6-16-18%2815%2C14-10%282%293%2917-12-7-8-13%2819-5%2911%284%299-12%2Fh7-10H%2C6H2%2C1-5H3%2C%28H%2C14%2C15%29,19,56.3366012573242,41,10,2,6,1,1.09739995002747,1.20428681373596,11,6,7,2.23000001907349,3.23099994659424
InChI%3D1S%2FC12H14O4%2Fc1-3-15-11%2813%299-7-5-6-8-10%289%2912%2814%2916-4-2%2Fh5-8H%2C3-4H2%2C1-2H3,16,32.5643997192383,30,5,2,6,0,0.52319997549057,0.273738235235214,12,6,6,2.33999991416931,3.1800000667572
InChI%3D1S%2FC14H20ClNO2%2Fc1-4-12-8-6-7-11%283%2914%2812%2916%2810-18-5-2%2913%2817%299-15%2Fh6-8H%2C4-5%2C9-10H2%2C1-3H3,18,49.3152008056641,38,9,2,6,0,1.06070005893707,1.12508451938629,9,6,7,2.55999994277954,3.79500007629395
InChI%3D1S%2FC13H17NO4%2Fc1-3-7-17-12%2815%2910-5-6-11%2814-9-10%2913%2816%2918-8-4-2%2Fh5-6%2C9H%2C3-4%2C7-8H2%2C1-2H3,18,39.6283988952637,35,6,3,6,0,-0.63239997625351,0.399929761886597,12,6,8,2.33999991416931,2.46600008010864
InChI%3D1S%2FC16H12N2O4S%2Fc19-15-9-6-11-10-13%2823%2820%2C21%2922%297-8-14%2811%2916%2815%2918-17-12-4-2-1-3-5-12%2Fh1-10%2C19H%2C%28H%2C20%2C21%2C22%29,25,13.4840002059937,35,3,0,17,2,-1.00179994106293,1.00360321998596,23,16,3,2.45000004768372,4.17700004577637
InChI%3D1S%2FC7H10N4O3%2Fc1-3-9-7%2813%2910-6%2812%295%284-8%2911-14-2%2Fh3H2%2C1-2H3%2C%28H2%2C9%2C10%2C12%2C13%29,13,46.6750984191895,24,14,3,0,2,-0.285199999809265,0.0813390389084816,11,0,4,1.46000003814697,-0.00499999988824129
InChI%3D1S%2FC7H14N2O2S%2Fc1-7%282%2C12-4%295-9-11-6%2810%298-3%2Fh5H%2C1-4H3%2C%28H%2C8%2C10%29,11,50.0533981323242,26,12,3,0,1,1.48800003528595,2.21414399147034,6,0,4,1.67999994754791,2.26799988746643
InChI%3D1S%2FC17H9Cl3N4O2%2Fc18-10-3-1-9%282-4-10%2911%287-21%2915-12%2819%295-6-13%2816%2815%2920%2924-17%2826%2923-14%2825%298-22-24%2Fh1-6%2C8%2C11H%2C%28H%2C23%2C25%2C26%29,28,50.363899230957,39,3,2,12,3,0.758300006389618,0.575018882751465,11,12,3,2.33999991416931,3.66700005531311
InChI%3D1S%2FC14H16O6%2Fc1-3-18-12%2815%299-20-14%2817%2911-8-6-5-7-10%2811%2913%2816%2919-4-2%2Fh5-8H%2C3-4%2C9H2%2C1-2H3,20,43.418098449707,36,9,2,6,0,0.23029999434948,0.053038090467453,12,6,9,2.33999991416931,2.88299989700317
InChI%3D1S%2FC10H10O4%2Fc1-13-9%2811%297-5-3-4-6-8%287%2910%2812%2914-2%2Fh3-6H%2C1-2H3,14,23.9768009185791,24,4,0,6,0,0.0223999992012978,0.000501759990584105,12,6,4,2.11999988555908,2.33400011062622
InChI%3D1S%2FC12H11N%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10%2C13H,14,3.29999995231628,24,0,0,12,1,-0.420399993658066,0.176736161112785,13,12,2,2.67000007629395,4.90999984741211
InChI%3D1S%2FC18H34O6%2Fc1-2-3-4-5-6-7-8-9-10-11-16%2821%2923-13-15%2820%2918-17%2822%2914%2819%2912-24-18%2Fh14-15%2C17-20%2C22H%2C2-13H2%2C1H3,24,75.2729034423828,58,17,12,0,3,-4.31040000915527,18.5795478820801,3,0,14,2.77999997138977,4.0939998626709
InChI%3D1S%2FC19H15ClF3NO7%2Fc1-3-29-17%2825%2910%282%2930-18%2826%2913-9-12%285-6-15%2813%2924%2827%2928%2931-16-7-4-11%288-14%2816%2920%2919%2821%2C22%2923%2Fh4-10H%2C3H2%2C1-2H3,32,48.3504981994629,46,10,3,12,0,1.70640003681183,2.91180086135864,19,12,10,2.23000001907349,5.99100017547607
InChI%3D1S%2FC10H18N4O4S3%2Fc1-7%2819-5%2911-17-9%2815%2913%283%2921-14%284%2910%2816%2918-12-8%282%2920-6%2Fh1-6H3,20,86.9989013671875,39,21,0,0,0,2.10220003128052,4.41924476623535,6,0,10,1.35000002384186,2.70099997520447
InChI%3D1S%2FC15H11BrClF3N2O%2Fc1-2-23-8-22-13%289-3-5-10%2817%296-4-9%2911%287-21%2912%2816%2914%2822%2915%2818%2C19%2920%2Fh3-6H%2C2%2C8H2%2C1H3,24,45.5894012451172,34,4,2,11,0,2.98320007324219,8.89948177337646,6,6,5,2.23000001907349,5.15700006484985
InChI%3D1S%2FC17H16Br2O3%2Fc1-11%282%2922-16%2820%2917%2821%2C12-3-7-14%2818%298-4-12%2913-5-9-15%2819%2910-6-13%2Fh3-11%2C21H%2C1-2H3,23,43.5527992248535,38,8,2,12,1,0.993499994277954,0.987042248249054,6,12,5,2.77999997138977,5.29500007629395
InChI%3D1S%2FC9H9Cl2NO%2Fc1-2-9%2813%2912-6-3-4-7%2810%298%2811%295-6%2Fh3-5H%2C2H2%2C1H3%2C%28H%2C12%2C13%29,13,30.1555004119873,22,5,3,6,1,1.49310004711151,2.22934770584106,9,6,2,2.00999999046326,3.07399988174438
InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H,12,30.642599105835,13,0,0,6,1,3.26119995117188,10.635425567627,7,6,0,1.46000003814697,2.31299996376038
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%2C1-2H3,25,66.0001983642578,54,12,4,6,0,-1.3944000005722,1.94435131549835,8,6,13,3,3.76500010490417
InChI%3D1S%2FC15H17N5O6S%2Fc1-9-16-13%2818-14%2817-9%2926-4%2920%282%2915%2822%2919-27%2823%2C24%2911-8-6-5-7-10%2811%2912%2821%2925-3%2Fh5-8H%2C1-4H3%2C%28H%2C19%2C22%29,28,50.3186988830566,44,8,0,12,1,-1.03289997577667,1.06688237190247,23,12,7,1.78999996185303,2.59100008010864
InChI%3D1S%2FC8H11NO2%2Fc1-10-6-3-4-7%289%298%285-6%2911-2%2Fh3-5H%2C9H2%2C1-2H3,11,18.8537006378174,22,2,0,6,1,-0.853500008583069,0.728462278842926,9,6,2,2.00999999046326,0.878000020980835
InChI%3D1S%2FC10H19ClNO5P%2Fc1-6-12%287-2%2910%2813%299%2811%298%283%2917-18%2814%2C15-4%2916-5%2Fh6-7H2%2C1-5H3,17,69.9196014404297,37,18,4,0,0,1.00569999217987,1.01143252849579,10,0,8,1.67999994754791,1.07700002193451
InChI%3D1S%2FC4H4N2O2%2Fc7-3-1-2-4%288%296-5-3%2Fh1-2H%2C%28H%2C5%2C7%29%28H%2C6%2C8%29,8,5.12919998168945,12,0,0,6,2,-0.92059999704361,0.847504377365112,8,6,0,1.46000003814697,0.00800000037997961
InChI%3D1S%2FC49H73NO14%2Fc1-25%282%2943-28%285%2917-18-48%2864-43%2923-35-20-34%2863-48%2916-15-27%284%2944%2826%283%2913-12-14-33-24-57-46-42%2852%2929%286%2919-36%2847%2853%2960-35%2949%2833%2C46%2954%2961-40-22-38%2856-11%2945%2831%288%2959-40%2962-39-21-37%2855-10%2941%2830%287%2958-39%2950-32%289%2951%2Fh12-15%2C17-19%2C25-26%2C28%2C30-31%2C34-46%2C52%2C54H%2C16%2C20-24H2%2C1-11H3%2C%28H%2C50%2C51%29,70,229.431701660156,137,4,0,0,3,-0.0340999998152256,0.00116281001828611,4,0,8,5.19999980926514,2.40199995040894
InChI%3D1S%2FC22H24N2O8%2Fc1-21%2831%298-5-4-6-11%2825%2912%288%2916%2826%2913-9%2821%297-10-15%2824%282%293%2917%2827%2914%2820%2823%2930%2919%2829%2922%2810%2C32%2918%2813%2928%2Fh4-6%2C9-10%2C15%2C25-26%2C30-32H%2C7%2C23H2%2C1-3H3,35,87.268798828125,56,3,0,6,6,-3.39549994468689,11.5294198989868,12,6,1,2.77999997138977,0.987999975681305
InChI%3D1S%2FC10H6N2OS2%2Fc1-5-2-3-6-7%284-5%2912-9-8%2811-6%2914-10%2813%2915-9%2Fh2-4H%2C1H3,17,26.0317001342773,21,0,0,11,0,2.21810007095337,4.91996765136719,10,10,0,2.00999999046326,2.2279999256134
InChI%3D1S%2FC9H10Cl2N2O2%2Fc1-13%2815-2%299%2814%2912-6-3-4-7%2810%298%2811%295-6%2Fh3-5H%2C1-2H3%2C%28H%2C12%2C14%29,15,35.2211990356445,25,7,0,6,1,1.46459996700287,2.14505314826965,11,6,3,1.78999996185303,2.39100003242493
InChI%3D1S%2FC11H13F3N2O3S%2Fc1-6-4-7%282%2910%285-9%286%2915-8%283%2917%2916-20%2818%2C19%2911%2812%2C13%2914%2Fh4-5%2C16H%2C1-3H3%2C%28H%2C15%2C17%29,20,42.8543014526367,33,8,2,6,2,2.51440000534058,6.3222074508667,13,6,4,1.67999994754791,2.80900001525879
InChI%3D1S%2FC14H8Cl2N4%2Fc15-11-7-3-1-5-9%2811%2913-17-19-14%2820-18-13%2910-6-2-4-8-12%2810%2916%2Fh1-8H,22,11.2312002182007,28,0,0,18,0,1.48860001564026,2.21592998504639,18,18,2,2.33999991416931,5.38399982452393
InChI%3D1S%2FC22H23NO3%2Fc1-21%282%2919%2822%2821%2C3%294%2920%2824%2926-18%2814-23%2915-9-8-12-17%2813-15%2925-16-10-6-5-7-11-16%2Fh5-13%2C18-19H%2C1-4H3,28,48.3031997680664,49,6,2,12,0,1.31610000133514,1.73211920261383,13,12,6,3.44000005722046,6.64499998092651
InChI%3D1S%2FC16H22ClN3O%2Fc1-15%282%2C3%2916%2821%2C10-20-12-18-11-19-20%299-8-13-4-6-14%2817%297-5-13%2Fh4-7%2C11-12%2C21H%2C8-10H2%2C1-3H3,22,46.5373992919922,43,9,5,11,3,1.89810001850128,3.60278367996216,6,6,6,2.67000007629395,3.82399988174438
InChI%3D1S%2FC15H11ClF3NO4%2Fc1-2-23-14-8-10%284-5-12%2814%2920%2821%2922%2924-13-6-3-9%287-11%2813%2916%2915%2817%2C18%2919%2Fh3-8H%2C2H2%2C1H3,25,28.1646995544434,35,3,2,12,0,1.84029996395111,3.38670420646667,17,12,6,2.11999988555908,5.76000022888184
InChI%3D1S%2FC11H23NOS%2Fc1-6-14-11%2813%2912%287-9%282%293%298-10%284%295%2Fh9-10H%2C6-8H2%2C1-5H3,13,63.1865997314453,37,14,3,0,0,1.99590003490448,3.98361682891846,3,0,7,2.33999991416931,2.88199996948242
InChI%3D1S%2FC20H32N2O3S%2Fc1-6-8-13-22%2814-9-7-2%2926-21%285%2919%2823%2924-17-12-10-11-16-15-20%283%2C4%2925-18%2816%2917%2Fh10-12H%2C6-9%2C13-15H2%2C1-5H3,27,78.1909027099609,58,15,4,6,0,0.357100009918213,0.12752041220665,11,6,11,3,5.70699977874756
InChI%3D1S%2FC14H14Cl2N2O%2Fc1-2-7-19-14%289-18-6-5-17-10-18%2912-4-3-11%2815%298-13%2812%2916%2Fh2-6%2C8%2C10%2C14H%2C1%2C7%2C9H2,20,38.7178001403809,33,6,3,11,1,2.02800011634827,4.11278390884399,6,6,6,2.45000004768372,3.05900001525879
InChI%3D1S%2FC17H16Cl2O3%2Fc1-11%282%2922-16%2820%2917%2821%2C12-3-7-14%2818%298-4-12%2913-5-9-15%2819%2910-6-13%2Fh3-11%2C21H%2C1-2H3,23,37.5858001708984,38,8,2,12,1,0.704500019550323,0.496320247650146,6,12,5,2.77999997138977,4.61899995803833
InChI%3D1S%2FC11H15NO2%2Fc1-7-5-10%2814-11%2813%2912-4%296-8%282%299%287%293%2Fh5-6H%2C1-4H3%2C%28H%2C12%2C13%29,14,31.7504997253418,29,5,0,6,1,2.16120004653931,4.67078542709351,10,6,2,2.33999991416931,3.97699999809265
InChI%3D1S%2FC7H7Cl3NO3PS%2Fc1-12-15%2816%2C13-2%2914-7-5%289%293-4%288%296%2810%2911-7%2Fh3H%2C1-2H3,16,47.7263984680176,23,7,0,6,0,3.02729988098145,9.1645450592041,11,6,4,1.24000000953674,3.36999988555908
InChI%3D1S%2FC9H22O4P2S4%2Fc1-5-10-14%2816%2C11-6-2%2918-9-19-15%2817%2C12-7-3%2913-8-4%2Fh5-9H2%2C1-4H3,18,95.0817031860352,41,19,2,0,0,4.13350009918213,17.085823059082,4,0,12,1.35000002384186,4.97800016403198
InChI%3D1S%2FC10H14N2O2%2Fc1-3-14-10-5-4-8%286-9%2810%2911%2912-7%282%2913%2Fh4-6H%2C3%2C11H2%2C1-2H3%2C%28H%2C12%2C13%29,14,29.7325000762939,28,4,2,6,2,-0.623000025749207,0.388128995895386,11,6,3,2.11999988555908,1.57799994945526
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,24,26.5088005065918,34,0,0,12,5,-2.92689990997314,8.56674385070801,11,12,1,2.33999991416931,0.0280000008642673
InChI%3D1S%2FC21H20Cl2O3%2Fc1-21%282%2917%2812-18%2822%2923%2919%2821%2920%2824%2925-13-14-7-6-10-16%2811-14%2926-15-8-4-3-5-9-15%2Fh3-12%2C17%2C19H%2C13H2%2C1-2H3,28,54.2809982299805,46,4,2,12,0,1.8532999753952,3.43472099304199,13,12,7,3.22000002861023,7.31300020217896
InChI%3D1S%2FBrHO3%2Fc2-1%283%294%2Fh%28H%2C2%2C3%2C4%29%2Fp-1,3,2.88579988479614,4,4,0,0,0,-0.840699970722198,0.70677649974823,4,0,0,1.01999998092651,0.0520000010728836
InChI%3D1S%2FC8H14O4%2Fc1-5-4-8%2811-6%282%299%2912-7%283%2910-5%2Fh5%2C7-8H%2C4H2%2C1-3H3,12,38.7957992553711,26,4,0,0,0,-0.0710000023245811,0.00504099996760488,3,0,2,1.89999997615814,1.24000000953674
InChI%3D1S%2FC9H14O%2Fc1-7-4-8%2810%296-9%282%2C3%295-7%2Fh4H%2C5-6H2%2C1-3H3,10,42.6464004516602,24,0,0,0,0,1.94889998435974,3.79821109771729,4,0,0,2.33999991416931,1.98199999332428
InChI%3D1S%2FC6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299,12,33.6935997009277,12,0,0,6,0,4.4657998085022,19.9433689117432,6,6,0,1.46000003814697,3.37199997901917
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%29,16,15.2441997528076,26,5,0,11,1,0.235200002789497,0.0553190410137177,14,10,2,2.45000004768372,4.6729998588562
InChI%3D1S%2FC23H22ClF3O2%2Fc1-14-16%2810-7-11-17%2814%2915-8-5-4-6-9-15%2913-29-21%2828%2920-18%2822%2820%2C2%293%2912-19%2824%2923%2825%2C26%2927%2Fh4-12%2C18%2C20H%2C13H2%2C1-3H3,31,59.0013999938965,51,7,3,12,0,3.1356999874115,9.83261489868164,12,12,7,3.32999992370605,9.5659999847412
InChI%3D1S%2FC14H4N2O2S2%2Fc15-5-9-10%286-16%2920-14-12%2818%298-4-2-1-3-7%288%2911%2817%2913%2814%2919-9%2Fh1-4H,22,54.2957992553711,26,2,0,6,0,-0.017000000923872,0.000288999988697469,12,6,0,2.33999991416931,1.3400000333786
InChI%3D1S%2FC13H11N3%2Fc14-10-3-1-8-5-9-2-4-11%2815%297-13%289%2916-12%288%296-10%2Fh1-7H%2C14-15H2,18,8.44419956207275,27,0,0,16,2,-1.49979996681213,2.24940013885498,16,14,0,2.55999994277954,2.17400002479553
InChI%3D1S%2FC9H11BrN2O2%2Fc1-12%2814-2%299%2813%2911-8-5-3-7%2810%294-6-8%2Fh3-6H%2C1-2H3%2C%28H%2C11%2C13%29,14,31.55419921875,25,7,0,6,1,0.311599999666214,0.0970945581793785,11,6,4,1.89999997615814,2.16700005531311
InChI%3D1S%2FC12H9ClF3N3O%2Fc1-17-9-6-18-19%2811%2820%2910%289%2913%298-4-2-3-7%285-8%2912%2814%2C15%2916%2Fh2-6%2C17H%2C1H3,21,43.2212982177734,33,3,0,6,2,0.273200005292892,0.0746382400393486,10,6,3,1.89999997615814,3.23200011253357
InChI%3D1S%2FC5H10N2O2S%2Fc1-4%2810-3%297-9-5%288%296-2%2Fh1-3H3%2C%28H%2C6%2C8%29,9,40.3573989868164,20,10,0,0,1,0.972699999809265,0.946145296096802,6,0,3,1.46000003814697,1.63300001621246
InChI%3D1S%2FC6H5Cl%2Fc7-6-4-2-1-3-5-6%2Fh1-5H,7,5.61560010910034,12,0,0,6,0,0.744300007820129,0.553982496261597,6,6,0,2.00999999046326,3.1029999256134
InChI%3D1S%2FC9H19NOS%2Fc1-4-7-10%288-5-2%299%2811%2912-6-3%2Fh4-8H2%2C1-3H3,11,52.271598815918,31,12,3,0,0,0.376700013875961,0.141902893781662,3,0,7,2.11999988555908,2.28800010681152
InChI%3D1S%2FC8H8%2Fc1-2-8-6-4-3-5-7-8%2Fh2-7H%2C1H2,8,10.1471996307373,16,2,2,6,0,0.707499980926514,0.500556230545044,8,6,1,2.33999991416931,4.9539999961853
InChI%3D1S%2FC16H18N4O7S%2Fc1-25-12-8-13%2826-2%2918-15%2817-12%2919-16%2822%2920-28%2823%2C24%299-10-6-4-5-7-11%2810%2914%2821%2927-3%2Fh4-8H%2C9H2%2C1-3H3%2C%28H2%2C17%2C18%2C19%2C20%2C22%29,29,50.951301574707,46,8,0,12,2,-0.58050000667572,0.336980253458023,15,12,9,1.89999997615814,2.59200000762939
InChI%3D1S%2FCHN%2Fc1-2%2Fh1H,1,7.0145001411438,3,1,0,0,0,0.567499995231628,0.322056263685226,1,0,0,1.46000003814697,-0.35699999332428
InChI%3D1S%2FC15H17Cl2N3O2%2Fc1-2-3-12-7-21-15%2822-12%2C8-20-10-18-9-19-20%2913-5-4-11%2816%296-14%2813%2917%2Fh4-6%2C9-10%2C12H%2C2-3%2C7-8H2%2C1H3,24,44.2122001647949,39,3,3,11,2,0.661700010299683,0.437846899032593,6,6,5,2.33999991416931,3.16300010681152
InChI%3D1S%2FC5H12NO3PS2%2Fc1-6-5%287%294-12-10%2811%2C8-2%299-3%2Fh4H2%2C1-3H3%2C%28H%2C6%2C7%29,11,55.2911987304688,24,12,2,0,1,1.04579997062683,1.09369766712189,4,0,5,1.24000000953674,1.48300004005432
InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H,14,2.56459999084473,23,0,0,12,1,-0.460299998521805,0.211876094341278,13,12,1,2.67000007629395,5.06300020217896
InChI%3D1S%2FC12H14O3%2Fc1-3-14-11%2813%2910-12%282%2C15-10%299-7-5-4-6-8-9%2Fh4-8%2C10H%2C3H2%2C1-2H3,16,29.2595996856689,29,5,2,6,0,0.104999996721745,0.0110250003635883,6,6,4,2.45000004768372,3.40100002288818
InChI%3D1S%2FC15H13N3O2S%2Fc1-20-15%2819%2918-14-16-12-8-7-11%289-13%2812%2917-14%2921-10-5-3-2-4-6-10%2Fh2-9H%2C1H3%2C%28H2%2C16%2C17%2C18%2C19%29,23,23.3178997039795,33,5,0,16,3,1.16209995746613,1.3504763841629,8,12,4,2.45000004768372,4.73099994659424
InChI%3D1S%2FC4H10NO3PS%2Fc1-4%286%295-9%287%2C8-2%2910-3%2Fh1-3H3%2C%28H%2C5%2C6%2C7%29,9,41.1959991455078,20,10,0,0,1,-0.0861999988555908,0.0074304398149252,6,0,3,1.24000000953674,0.314999997615814
InChI%3D1S%2FC22H17ClF3N3O7%2Fc1-33-18%2830%2921-10-12-9-13%2823%293-8-16%2812%2917%2821%2927-28%2811-35-21%2919%2831%2929%2820%2832%2934-2%2914-4-6-15%287-5-14%2936-22%2824%2C25%2926%2Fh3-9H%2C10-11H2%2C1-2H3,39,67.4766006469727,53,7,0,12,0,2.5239999294281,6.37057590484619,22,12,9,2.33999991416931,5.29500007629395
InChI%3D1S%2FC15H11ClO3%2Fc1-19-14%2817%2915%2818%2912-5-3-2-4-10%2812%2911-7-6-9%2816%298-13%2811%2915%2Fh2-8%2C18H%2C1H3,21,22.4715995788574,30,4,0,12,1,0.0103000001981854,0.00010609000310069,12,12,2,2.67000007629395,3.44099998474121
InChI%3D1S%2FC23H19ClF3NO3%2Fc1-22%282%2917%2812-19%2824%2923%2825%2C26%2927%2920%2822%2921%2829%2931-18%2813-28%2914-7-6-10-16%2811-14%2930-15-8-4-3-5-9-15%2Fh3-12%2C17-18%2C20H%2C1-2H3,33,59.9276008605957,50,7,3,12,0,2.20560002326965,4.86467123031616,13,12,8,3.10999989509583,7.07499980926514
InChI%3D1S%2FC14H24NO4PS3%2Fc1-12%282%2918-20%2821%2C19-13%283%294%2922-11-10-15-23%2816%2C17%2914-8-6-5-7-9-14%2Fh5-9%2C12-13%2C15H%2C10-11H2%2C1-4H3,23,76.3994979858398,47,17,3,6,1,0.549700021743774,0.302170097827911,10,6,10,2.00999999046326,4.96400022506714
InChI%3D1S%2FC9H13N%2Fc1-6-4-8%283%299%2810%295-7%286%292%2Fh4-5H%2C10H2%2C1-3H3,10,20.7283992767334,23,0,0,6,1,1.17610001564026,1.38321125507355,7,6,0,2.33999991416931,2.73499989509583
InChI%3D1S%2FC11H10Cl2F2N4O3S%2Fc1-5-16-19%2811%2820%2918%285%2910%2814%2915%299-4-8%2817-23%282%2C21%2922%296%2812%293-7%289%2913%2Fh3-4%2C10%2C17H%2C1-2H3,24,55.470401763916,35,5,0,6,2,1.00380003452301,1.00761449337006,15,6,4,1.35000002384186,2.59899997711182
InChI%3D1S%2FC10H14Cl6N4O2%2Fc11-9%2812%2C13%297%2817-5-21%2919-1-2-20%284-3-19%298%2818-6-22%2910%2814%2C15%2916%2Fh5-8H%2C1-4H2%2C%28H%2C17%2C21%29%28H%2C18%2C22%29,22,92.5983963012695,36,8,2,0,2,2.3024001121521,5.3010458946228,3,0,6,1.24000000953674,3.22199988365173
InChI%3D1S%2FC9H6Cl6O3S%2Fc10-5-6%2811%298%2813%294-2-18-19%2816%2917-1-3%284%297%285%2C12%299%288%2C14%2915%2Fh3-4H%2C1-2H2,21,76.9888000488281,25,0,0,0,0,2.16599988937378,4.69155597686768,4,0,0,1.35000002384186,0.83899998664856
InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2,4,25.2765998840332,9,5,3,0,0,1.51820003986359,2.30493116378784,2,0,1,1.57000005245209,2.09899997711182
InChI%3D1S%2FC22H19Br4NO3%2Fc1-21%282%2917%2819%2823%2922%2824%2C25%2926%2918%2821%2920%2828%2930-16%2812-27%2913-7-6-10-15%2811-13%2929-14-8-4-3-5-9-14%2Fh3-11%2C16-19H%2C1-2H3,32,79.6128997802734,49,6,2,12,0,3.50559997558594,12.289231300354,13,12,8,3,9.23200035095215
InChI%3D1S%2FC17H20N2S%2Fc1-13%2818%282%293%2912-19-14-8-4-6-10-16%2814%2920-17-11-7-5-9-15%2817%2919%2Fh4-11%2C13H%2C12H2%2C1-3H3,22,38.99169921875,40,6,3,12,0,0.834100008010864,0.695722818374634,13,12,3,3,4.46299982070923
InChI%3D1S%2FC19H26O3%2Fc1-7-8-13-12%284%2916%2810-15%2813%2920%2922-18%2821%2917-14%289-11%282%293%2919%2817%2C5%296%2Fh7%2C9%2C14%2C16-17H%2C1%2C8%2C10H2%2C2-6H3,23,88.9957962036133,48,4,3,0,0,3.57159996032715,12.756326675415,4,0,6,3.22000002861023,3.71399998664856
InChI%3D1S%2FC10H12ClNO2%2Fc1-7%282%2914-10%2813%2912-9-5-3-4-8%2811%296-9%2Fh3-7H%2C1-2H3%2C%28H%2C12%2C13%29,14,30.638599395752,26,7,3,6,1,1.26569998264313,1.60199654102325,10,6,3,2.11999988555908,3.77900004386902
InChI%3D1S%2FC22H26O3%2Fc1-15%282%2910-19-20%2822%2819%2C3%294%2921%2823%2925-14-17-12-18%2824-13-17%2911-16-8-6-5-7-9-16%2Fh5-10%2C12-13%2C19-20H%2C11%2C14H2%2C1-4H3,27,58.5063018798828,51,4,3,11,0,2.28239989280701,5.20934963226318,6,6,7,3.54999995231628,7.11299991607666
InChI%3D1S%2FC7H4Cl3NO3%2Fc8-3-1-4%289%297%2811-6%283%2910%2914-2-5%2812%2913%2Fh1H%2C2H2%2C%28H%2C12%2C13%29,14,30.7338008880615,18,5,2,6,1,1.42659997940063,2.03518748283386,7,6,3,1.46000003814697,1.5110000371933
InChI%3D1S%2FC18H26O2%2Fc1-13%282%2918-10-9-17%284%2C20-18%2916%2811-18%2919-12-15-8-6-5-7-14%2815%293%2Fh5-8%2C13%2C16H%2C9-12H2%2C1-4H3,22,54.8120994567871,46,2,0,6,0,1.50440001487732,2.26321935653687,6,6,4,3.22000002861023,5.31500005722046
InChI%3D1S%2FC16H22ClNO3%2Fc1-4-12-8-7-9-13%285-2%2916%2812%2918%2814%2819%2910-17%2911-15%2820%2921-6-3%2Fh7-9H%2C4-6%2C10-11H2%2C1-3H3,21,59.1642990112305,43,11,2,6,0,0.581300020217896,0.337909698486328,9,6,9,2.67000007629395,4.11999988555908
InChI%3D1S%2FC15H18ClN3O%2Fc1-15%282%2C3%2914%2820%2913%2819-10-17-9-18-19%298-11-4-6-12%2816%297-5-11%2Fh4-10%2C14%2C20H%2C1-3H3,21,43.2491989135742,38,8,5,11,3,1.82400000095367,3.32697606086731,10,6,4,2.55999994277954,3.71000003814697
InChI%3D1S%2FC8H14N4OS%2Fc1-8%282%2C3%295-6%2813%2912%289%297%2814-4%2911-10-5%2Fh9H2%2C1-4H3,14,58.6533012390137,32,3,0,0,3,0.739300012588501,0.546564519405365,4,0,2,1.67999994754791,1.3860000371933
InChI%3D1S%2FC13H14F3N3O4%2Fc1-4-17%287-8%282%293%2912-10%2818%2820%2921%295-9%2813%2814%2C15%2916%296-11%2812%2919%2822%2923%2Fh5-6H%2C2%2C4%2C7H2%2C1%2C3H3,23,44.2360992431641,37,7,3,6,0,2.53629994392395,6.43281745910645,13,6,7,1.78999996185303,4.17199993133545
InChI%3D1S%2FC11H16ClO2PS3%2Fc1-3-13-15%2816%2C14-4-2%2918-9-17-11-7-5-10%2812%296-8-11%2Fh5-8H%2C3-4%2C9H2%2C1-2H3,18,63.0668983459473,34,11,2,6,0,3.40440011024475,11.5899391174316,6,6,8,1.89999997615814,5.39900016784668
InChI%3D1S%2FC12H11Cl2N3O2%2Fc13-9-1-2-10%2811%2814%295-9%2912%2818-3-4-19-12%296-17-8-15-7-16-17%2Fh1-2%2C5%2C7-8H%2C3-4%2C6H2,21,33.8045997619629,30,0,0,11,2,1.24839997291565,1.55850255489349,6,6,3,2.00999999046326,1.77600002288818
InChI%3D1S%2FC14H6Cl2F4N2O2%2Fc15-5-4-8%2812%2820%2910%2816%2911%285%2919%2921-14%2824%2922-13%2823%299-6%2817%292-1-3-7%289%2918%2Fh1-4H%2C%28H2%2C21%2C22%2C23%2C24%29,25,31.4750995635986,30,6,0,12,2,3.11640000343323,9.7119493484497,18,12,3,1.89999997615814,4.26200008392334
InChI%3D1S%2FC2H3ClO2%2Fc3-1-2%284%295%2Fh1H2%2C%28H%2C4%2C5%29,4,17.396900177002,8,5,2,0,1,0.302700012922287,0.0916272923350334,3,0,1,1.35000002384186,0.157000005245209
InChI%3D1S%2FC27H20N4O9S2%2Fc32-14-15-13-22%2830-28-20-9-11-23%2841%2835%2C36%2937%2918-7-3-1-5-16%2818%2920%2927%2834%2925%2826%2815%2933%2931-29-21-10-12-24%2842%2838%2C39%2940%2919-8-4-2-6-17%2819%2921%2Fh1-13%2C32-34H%2C14H2%2C%28H%2C35%2C36%2C37%29%28H%2C38%2C39%2C40%29,46,34.244800567627,62,3,0,28,5,-2.45230007171631,6.01377534866333,40,26,7,2.77999997138977,5.38899993896484
InChI%3D1S%2FC9H12%2Fc1-8%282%299-6-4-3-5-7-9%2Fh3-8H%2C1-2H3,9,14.2678003311157,21,3,3,6,0,0.572899997234344,0.328214406967163,6,6,1,2.45000004768372,5.46199989318848
InChI%3D1S%2FCClN%2Fc2-1-3,2,12.7918996810913,3,3,0,0,0,0.620500028133392,0.38502025604248,1,0,0,1.35000002384186,0.426999986171722
InChI%3D1S%2FC14H15N5O6S%2Fc1-8-15-12%2818-14%2816-8%2925-3%2917-13%2821%2919-26%2822%2C23%2910-7-5-4-6-9%2810%2911%2820%2924-2%2Fh4-7H%2C1-3H3%2C%28H2%2C15%2C16%2C17%2C18%2C19%2C21%29,27,62.36669921875,45,7,0,6,4,-1.01960003376007,1.03958415985107,19,6,6,1.67999994754791,1.93499994277954
InChI%3D1S%2FC7H3Cl2N%2Fc8-6-2-1-3-7%289%295%286%294-10%2Fh1-3H,10,17.4298000335693,13,2,0,6,0,1.52330005168915,2.32044291496277,8,6,0,1.89999997615814,2.33599996566772
InChI%3D1S%2FC11H20N3O3PS%2Fc1-6-14%287-2%2911-12-9%283%298-10%2813-11%2917-18%2819%2C15-4%2916-5%2Fh8H%2C6-7H2%2C1-5H3,19,59.0045013427734,39,7,2,6,0,2.16310000419617,4.6790018081665,12,6,7,1.78999996185303,3.20300006866455
InChI%3D1S%2FC2H7O3P%2Fc1-2-5-6%283%294%2Fh6H%2C2H2%2C1H3%2C%28H%2C3%2C4%29,5,15.0614004135132,13,6,2,0,1,0.24549999833107,0.0602702498435974,4,0,2,1.24000000953674,-0.837999999523163
InChI%3D1S%2FC12H14N4O4S2%2Fc1-19-11%2817%2915-9%2821%2913-7-5-3-4-6-8%287%2914-10%2822%2916-12%2818%2920-2%2Fh3-6H%2C1-2H3%2C%28H2%2C13%2C15%2C17%2C21%29%28H2%2C14%2C16%2C18%2C22%29,22,60.4314002990723,36,8,0,6,2,1.97880005836487,3.9156494140625,18,6,6,1.67999994754791,3.03800010681152
InChI%3D1S%2FC15H17Cl2N3O%2Fc1-15%282%2C3%2914%2821%2913%2820-9-18-8-19-20%296-10-4-5-11%2816%297-12%2810%2917%2Fh4-9%2C14%2C21H%2C1-3H3,22,48.8647994995117,38,8,5,11,3,2.5683000087738,6.59616470336914,10,6,4,2.45000004768372,3.80599999427795
InChI%3D1S%2FC14H16ClO5PS%2Fc1-4-17-21%2822%2C18-5-2%2920-10-6-7-11-9%283%2913%2815%2914%2816%2919-12%2811%298-10%2Fh6-8H%2C4-5H2%2C1-3H3,23,62.7459983825684,40,9,2,6,0,2.13529992103577,4.55950593948364,14,6,6,2.11999988555908,4.45699977874756
InChI%3D1S%2FC7H8N2O2%2Fc1-5-2-3-6%289%2810%2911%294-7%285%298%2Fh2-4H%2C8H2%2C1H3,11,12.6099996566772,19,3,0,6,1,-0.154499992728233,0.023870250210166,10,6,1,1.78999996185303,1.76499998569489
InChI%3D1S%2FC10H7Cl5O%2Fc11-7-1-6%282-8%2812%293-7%299%285-16-9%294-10%2813%2C14%2915%2Fh1-3H%2C4-5H2,17,43.7160987854004,23,5,2,6,0,2.46140003204346,6.05848979949951,6,6,3,1.89999997615814,4.5019998550415
InChI%3D1S%2FC15H24NO4PS%2Fc1-6-18-21%2822%2C16-11%282%293%2920-14-10-8-7-9-13%2814%2915%2817%2919-12%284%295%2Fh7-12H%2C6H2%2C1-5H3%2C%28H%2C16%2C22%29,22,66.8221969604492,46,10,2,6,1,0.622699975967407,0.387755304574966,14,6,9,2.33999991416931,5.35500001907349
InChI%3D1S%2FC10H11F3N2O%2Fc1-15%282%299%2816%2914-8-5-3-4-7%286-8%2910%2811%2C12%2913%2Fh3-6H%2C1-2H3%2C%28H%2C14%2C16%29,16,28.8055000305176,27,6,0,6,1,1.22819995880127,1.50847518444061,10,6,3,1.89999997615814,4.20800018310547
InChI%3D1S%2FC10H13Cl2FN2O2S2%2Fc1-8-4-6-9%287-5-8%2915%2818-10%2811%2C12%2913%2919%2816%2C17%2914%282%293%2Fh4-7H%2C1-3H3,19,54.4082984924316,32,12,0,6,0,2.80159997940063,7.84896278381348,11,6,5,1.57000005245209,4.18100023269653
InChI%3D1S%2FCCl3F%2Fc2-1%283%2C4%295,4,22.2140007019043,5,5,0,0,0,3.29780006408691,10.8754844665527,0,0,0,1.12999999523163,2.72699999809265
InChI%3D1S%2FC8H19O2PS2%2Fc1-4-7-12-11%289%2C10-6-3%2913-8-5-2%2Fh4-8H2%2C1-3H3,12,60.9308013916016,32,13,3,0,0,0.920199990272522,0.846768021583557,3,0,8,1.78999996185303,2.62700009346008
InChI%3D1S%2FC36H53NO13%2Fc1-21-13-11-9-7-6-8-10-12-14-24%2848-35%285%2931%2842%2929%2837%2930%2841%2922%282%2947-35%2919-34%284%2928%2832%2843%2944%2925%2839%2920-36%2845%2C50-34%2918-23%2838%2917-33%283%2926%2849-33%2915-16-27%2840%2946-21%2Fh6-12%2C14-16%2C21-26%2C28-31%2C38-39%2C41-42%2C45H%2C13%2C17-20%2C37H2%2C1-5H3%2C%28H%2C43%2C44%29,53,180.300003051758,103,2,0,0,7,-1.67079997062683,2.79157257080078,8,0,3,3.88000011444092,2.33299994468689
InChI%3D1S%2FC17H14ClF7O2%2Fc1-6-11%2819%2913%2821%297%2814%2822%2912%286%2920%295-27-15%2826%2910-8%2816%2810%2C2%293%294-9%2818%2917%2823%2C24%2925%2Fh4%2C8%2C10H%2C5H2%2C1-3H3,28,62.4914016723633,41,7,3,6,0,5.05450010299683,25.5479698181152,6,6,6,2.23000001907349,5.32800006866455
InChI%3D1S%2FC13H17F3N4O4%2Fc1-3-5-18%286-4-2%2911-9%2819%2821%2922%297-8%2813%2814%2C15%2916%2910%2817%2912%2811%2920%2823%2924%2Fh7H%2C3-6%2C17H2%2C1-2H3,24,46.3712997436523,41,7,3,6,1,-0.181999996304512,0.0331239998340607,14,6,8,1.67999994754791,4.6729998588562
InChI%3D1S%2FC17H26ClNO3S%2Fc1-4-14%2819-22-8-6-7-18%2917-15%2820%2910-13%2811-16%2817%2921%299-12%283%2923-5-2%2Fh6-7%2C12-13%2C19H%2C4-5%2C8-11H2%2C1-3H3,23,95.9421997070312,49,9,3,0,1,0.223800003528595,0.0500864386558533,8,0,9,2.67000007629395,4.64900016784668
InChI%3D1S%2FC10H15O3PS2%2Fc1-8-7-9%285-6-10%288%2916-4%2913-14%2815%2C11-2%2912-3%2Fh5-7H%2C1-4H3,16,49.3852996826172,31,7,0,6,0,2.33990001678467,5.47513198852539,11,6,5,1.89999997615814,4.07200002670288
InChI%3D1S%2FC15H16Cl3N3O2%2Fc1-2-4-20%2815%2822%2921-5-3-19-10-21%296-7-23-14-12%2817%298-11%2816%299-13%2814%2918%2Fh3%2C5%2C8-10H%2C2%2C4%2C6-7H2%2C1H3,24,51.3554000854492,39,9,3,11,1,1.24919998645782,1.56050062179565,8,11,8,2.23000001907349,2.91199994087219
InChI%3D1S%2FC15H10ClF3N2O6S%2Fc1-28%2825%2C26%2920-14%2822%2910-7-9%283-4-12%2810%2921%2823%2924%2927-13-5-2-8%286-11%2813%2916%2915%2817%2C18%2919%2Fh2-7H%2C1H3%2C%28H%2C20%2C22%29,29,39.1697998046875,38,7,0,12,1,0.591000020503998,0.349281013011932,22,12,6,1.67999994754791,4.98600006103516
InChI%3D1S%2FC5H7N3O2%2Fc1-4-6-3-5%287%284%292%298%289%2910%2Fh3H%2C1-2H3,10,17.3791999816895,17,2,0,5,1,0.120200000703335,0.0144480401650071,8,5,1,1.46000003814697,0.726000010967255
InChI%3D1S%2FC2H7O3P%2Fc1-4-6%283%295-2%2Fh6H%2C1-2H3,5,15.5367002487183,13,6,0,0,0,0.24609999358654,0.060565210878849,4,0,2,1.24000000953674,-0.741999983787537
InChI%3D1S%2FC6H4Cl2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H,8,11.2312002182007,12,0,0,6,0,1.48860001564026,2.21592998504639,6,6,0,1.89999997615814,2.98799991607666
InChI%3D1S%2FC15H18Cl2N2O3%2Fc1-8%282%2921-12-7-11%289%2816%296-10%2812%2917%2919-14%2820%2922-13%2818-19%2915%283%2C4%295%2Fh6-8H%2C1-5H3,23,62.442699432373,42,4,3,6,1,2.57069993019104,6.60849857330322,12,6,4,2.33999991416931,4.80900001525879
InChI%3D1S%2FC5H13ClN%2Fc1-7%282%2C3%295-4-6%2Fh4-5H2%2C1-3H3%2Fq%2B1,6,32.1301002502441,20,7,2,0,0,-0.369500011205673,0.136530250310898,0,0,2,1.78999996185303,0.637000024318695
InChI%3D1S%2FC2H3Cl3O2%2Fc3-2%284%2C5%291%286%297%2Fh1%2C6-7H,6,29.2457008361816,10,7,2,0,2,0.89980000257492,0.809640049934387,0,0,1,1.12999999523163,0.801999986171722
InChI%3D1S%2FC9H7Cl3O3%2Fc1-4%289%2813%2914%2915-8-3-6%2811%295%2810%292-7%288%2912%2Fh2-4H%2C1H3%2C%28H%2C13%2C14%29,15,34.9067001342773,22,6,3,6,1,1.7331999540329,3.00398230552673,7,6,3,1.78999996185303,2.54800009727478
InChI%3D1S%2FC15H12F2N3Si%2Fc16-12-1-5-14%286-2-12%2921%2811-20-10-18-9-19-20%2915-7-3-13%2817%294-8-15%2Fh1-10H%2C11H2,23,36.8516998291016,34,2,0,11,0,1.63359999656677,2.66864895820618,12,6,3,2.45000004768372,2.89199995994568
InChI%3D1S%2FC23H26O3%2Fc1-16%282%2913-20-21%2823%2820%2C3%294%2922%2824%2925-15-17-9-8-12-19%2814-17%2926-18-10-6-5-7-11-18%2Fh5-14%2C20-21H%2C15H2%2C1-4H3,28,53.7517013549805,52,4,3,12,0,1.96119999885559,3.84630537033081,13,12,7,3.66000008583069,7.22800016403198
InChI%3D1S%2FC18H26O5%2Fc1-12-6-5-9-14%2819%298-4-2-3-7-13-10-15%2820%2911-16%2821%2917%2813%2918%2822%2923-12%2Fh10-12%2C14%2C19-21H%2C2-9H2%2C1H3,24,51.9266014099121,49,0,0,6,3,-3.47510004043579,12.076319694519,11,6,0,2.89000010490417,3.19199991226196
InChI%3D1S%2FC12H14N2%2Fc13-8-9-14-12-7-3-5-10-4-1-2-6-11%2810%2912%2Fh1-7%2C14H%2C8-9%2C13H2,15,16.9465007781982,28,4,2,11,2,-1.14709997177124,1.31583845615387,11,10,3,2.55999994277954,3.25600004196167
InChI%3D1S%2FC9H13N%2Fc1-8%2810%297-9-5-3-2-4-6-9%2Fh2-6%2C8H%2C7%2C10H2%2C1H3,10,18.3840999603271,23,4,3,6,1,-0.686600029468536,0.4714195728302,6,6,2,2.33999991416931,3.58200001716614
InChI%3D1S%2FC12H8Cl6O%2Fc13-8-9%2814%293-1-4-5%282%283%297-6%281%2919-7%2911%289%2C16%2912%2817%2C18%2910%284%2C8%2915%2Fh1-8H,24,72.0134963989258,27,0,0,0,0,2.18950009346008,4.79391002655029,0,0,0,2.00999999046326,3.62100005149841
InChI%3D1S%2FC11H10ClNO3S%2Fc1-2-16-9%2814%296-13-10-7%2812%294-3-5-8%2810%2917-11%2813%2915%2Fh3-5H%2C2%2C6H2%2C1H3,18,41.6958999633789,27,6,2,6,0,1.27830004692078,1.63405084609985,9,6,4,2.00999999046326,1.97800004482269
InChI%3D1S%2FC14H15N3%2Fc1-10-9-13%2811-7-8-11%2917-14%2815-10%2916-12-5-3-2-4-6-12%2Fh2-6%2C9%2C11H%2C7-8H2%2C1H3%2C%28H%2C15%2C16%2C17%29,19,20.738899230957,32,0,0,12,1,0.224199995398521,0.0502656400203705,13,12,3,2.67000007629395,4.17600011825562
InChI%3D1S%2FC9H9ClO3%2Fc1-6%289%2811%2912%2913-8-4-2-3-7%2810%295-8%2Fh2-6H%2C1H3%2C%28H%2C11%2C12%29,13,23.675500869751,22,6,3,6,1,0.244599997997284,0.0598291605710983,7,6,3,2.00999999046326,2.35599994659424
InChI%3D1S%2FC19H22FN3O%2Fc20-17-8-6-16%287-9-17%2918%2824%294-3-11-22-12-14-23%2815-13-22%2919-5-1-2-10-21-19%2Fh1-2%2C5-10H%2C3-4%2C11-15H2,26,43.0363006591797,46,5,4,12,0,0.0471000000834465,0.00221840990707278,8,12,6,3,3.37700009346008
InChI%3D1S%2FC19H23ClN2O2S%2Fc1-2-3-4-5-6-10-13-25-19%2823%2924-16-14-17%2820%2921-22-18%2816%2915-11-8-7-9-12-15%2Fh7-9%2C11-12%2C14H%2C2-6%2C10%2C13H2%2C1H3,26,48.2690010070801,48,12,8,12,0,-0.113499999046326,0.0128822503611445,15,12,11,2.89000010490417,8.25100040435791
InChI%3D1S%2FC20H23N3O2%2Fc1-20%282%2C3%2918%2824%2919%2823-14-21-13-22-23%2925-17-11-9-16%2810-12-17%2915-7-5-4-6-8-15%2Fh4-14%2C18-19%2C24H%2C1-3H3,27,32.7839012145996,48,8,4,17,3,1.03680002689362,1.07495427131653,13,12,6,3.10999989509583,6.28900003433228
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%2C3-4H2,17,68.1818008422852,24,5,0,0,0,3.23449993133545,10.4619903564453,5,0,2,1.67999994754791,2.26799988746643
InChI%3D1S%2FC24H46O6%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22%2827%2929-19-21%2826%2924-23%2828%2920%2825%2918-30-24%2Fh20-21%2C23-26%2C28H%2C2-19H2%2C1H3,30,92.7425003051758,76,23,18,0,3,-6.03840017318726,36.4622764587402,3,0,20,3.44000005722046,7.50799989700317
InChI%3D1S%2FC10H6Cl8%2Fc11-3-1-2-4%285%283%2912%299%2816%297%2814%296%2813%298%282%2C15%2910%289%2C17%2918%2Fh2-5H%2C1H2,20,78.1775970458984,24,0,0,0,0,4.24259996414185,17.9996547698975,2,0,0,1.67999994754791,4.35500001907349
InChI%3D1S%2FC15H13N3O3S%2Fc1-21-15%2819%2918-14-16-12-8-7-11%289-13%2812%2917-14%2922%2820%2910-5-3-2-4-6-10%2Fh2-9H%2C1H3%2C%28H2%2C16%2C17%2C18%2C19%29,24,24.6895999908447,34,5,0,16,3,0.0502999983727932,0.0025300900451839,16,12,4,2.33999991416931,2.70199990272522
InChI%3D1S%2FP4%2Fc1-2-3%281%294%281%292,6,27.3439998626709,4,0,0,0,0,-3.18639993667603,10.1531448364258,0,0,0,1.01999998092651,0
InChI%3D1S%2FC8H8O3%2Fc1-11-8%2810%296-2-4-7%289%295-3-6%2Fh2-5%2C9H%2C1H3,11,14.5530004501343,19,4,0,6,1,-0.449099987745285,0.201690807938576,10,6,2,2.00999999046326,1.39100003242493
InChI%3D1S%2FC12H14Cl3O4P%2Fc1-3-17-20%2816%2C18-4-2%2919-12%288-13%2910-6-5-9%2814%297-11%2810%2915%2Fh5-8H%2C3-4H2%2C1-2H3,20,56.4973983764648,34,12,2,6,0,2.41079998016357,5.81195640563965,13,6,7,1.89999997615814,4.21000003814697
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%2918,26,92.3588027954102,22,0,0,0,0,5.84999990463257,34.2224998474121,0,0,0,1.24000000953674,6.35799980163574
InChI%3D1S%2FC14H20N3O5PS%2Fc1-5-19-14%2818%2911-9-17-12%2815-10%2811%294%298-13%2816-17%2922-23%2824%2C20-6-2%2921-7-3%2Fh8-9H%2C5-7H2%2C1-4H3,25,63.8932991027832,44,9,2,10,2,2.22009992599487,4.92884397506714,5,0,9,1.89999997615814,3.32200002670288
InChI%3D1S%2FC14H16ClN5O5S%2Fc1-9-16-12%2819-14%2817-9%2924-2%2918-13%2821%2920-26%2822%2C23%2911-6-4-3-5-10%2811%2925-8-7-15%2Fh3-6H%2C7-8H2%2C1-2H3%2C%28H2%2C16%2C17%2C18%2C19%2C20%2C21%29,27,67.0373992919922,46,7,2,6,4,-0.417400002479553,0.174222767353058,17,6,7,1.67999994754791,2.48699998855591
InChI%3D1S%2FC16H20N2O3%2Fc1-9%282%2916%284%2915%2820%2917-13%2818-16%2912-8-10%283%296-7-11%2812%2914%2819%2921-5%2Fh6-9H%2C1-5H3%2C%28H%2C17%2C18%2C20%29,22,53.2338981628418,41,4,0,6,1,0.134399995207787,0.018063360825181,14,6,4,2.67000007629395,3.88800001144409
InChI%3D1S%2FC16H14Cl2O3%2Fc1-2-21-15%2819%2916%2820%2C11-3-7-13%2817%298-4-11%2912-5-9-14%2818%2910-6-12%2Fh3-10%2C20H%2C2H2%2C1H3,22,32.3810005187988,35,7,2,12,1,1.00499999523163,1.01002502441406,6,12,5,2.67000007629395,4.15899991989136
InChI%3D1S%2FC9H21O2PS3%2Fc1-6-10-12%2813%2C11-7-2%2915-8-14-9%283%2C4%295%2Fh6-8H2%2C1-5H3,14,76.9517974853516,36,15,2,0,0,3.69370007514954,13.6434192657471,4,0,8,1.78999996185303,4.50099992752075
InChI%3D1S%2FC4H6O2%2Fc1-3%282%294%285%296%2Fh1H2%2C2H3%2C%28H%2C5%2C6%29,5,21.6485004425049,12,6,3,0,1,0.914099991321564,0.835578799247742,5,0,1,1.67999994754791,0.39300000667572
InChI%3D1S%2FC4H4O4%2Fc5-3%286%291-2-4%287%298%2Fh1-2H%2C%28H%2C5%2C6%29%28H%2C7%2C8%29,7,24.6070003509521,12,8,4,0,2,-0.225199997425079,0.0507150404155254,8,0,2,1.46000003814697,-0.416000008583069
InChI%3D1S%2FC12H19O2PS3%2Fc1-4-10-18-15%2816%2C13-5-2%2914-11-6-8-12%2817-3%299-7-11%2Fh6-9H%2C4-5%2C10H2%2C1-3H3,18,62.4460983276367,37,10,3,6,0,2.17910003662109,4.7484769821167,10,6,8,2.11999988555908,5.82999992370605
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%29,13,26.9515991210938,24,6,0,6,1,0.321200013160706,0.103169441223145,10,6,3,2.00999999046326,1.91999995708466
InChI%3D1S%2FC8H10N6%2Fc9-3-5-6%2810%2913-8%2814-7%285%2911%2912-4-1-2-4%2Fh4H%2C1-2H2%2C%28H5%2C10%2C11%2C12%2C13%2C14%29,15,43.7458000183105,26,2,0,0,4,-1.90100002288818,3.61380100250244,6,0,1,1.67999994754791,-0.363000005483627
InChI%3D1S%2FC16H17F5N2O2S%2Fc1-7%282%296-8-9%2815%2824%2925-3%2911%2813%2817%2918%2923-12%2816%2819%2C20%2921%2910%288%2914-22-4-5-26-14%2Fh7%2C13H%2C4-6H2%2C1-3H3,27,66.2200012207031,43,4,3,6,0,3.03150010108948,9.18999195098877,11,6,7,2.11999988555908,5.3600001335144
InChI%3D1S%2FC12H4Cl2F6N4OS%2Fc13-5-1-4%2811%2815%2C16%2917%292-6%2814%298%285%2924-10%2822%299%287%283-21%2923-24%2926%2825%2912%2818%2C19%2920%2Fh1-2H%2C22H2,27,46.9574012756348,30,6,0,11,2,3.60209989547729,12.9751243591309,8,6,4,1.24000000953674,2.80999994277954
InChI%3D1S%2FC12H10Cl2F3NO%2Fc13-5-7-6-18%2811%2819%2910%287%2914%299-3-1-2-8%284-9%2912%2815%2C16%2917%2Fh1-4%2C7%2C10H%2C5-6H2,20,40.657299041748,29,3,0,6,0,1.51189994812012,2.28584170341492,9,6,3,2.00999999046326,4.19199991226196
InChI%3D1S%2FC7H5NO3S%2Fc9-7-5-3-1-2-4-6%285%2912%2810%2C11%298-7%2Fh1-4H%2C%28H%2C8%2C9%29,13,16.9179992675781,17,0,0,6,1,-1.15299999713898,1.32940900325775,12,6,0,1.67999994754791,1.26800000667572
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,20,35.7430992126465,28,5,2,12,0,3.14249992370605,9.87530612945557,6,12,3,2.45000004768372,7.01999998092651
InChI%3D1S%2FC5H4O2%2Fc6-4-5-2-1-3-7-5%2Fh1-4H,7,7.91300010681152,11,2,0,5,0,-0.346500009298325,0.120062246918678,7,5,1,1.78999996185303,1.057000041008
InChI%3D1S%2FCBrN%2Fc2-1-3,2,15.3908004760742,3,3,0,0,0,0.729499995708466,0.532170236110687,1,0,0,1.35000002384186,0.602999985218048
InChI%3D1S%2FC20H23NO3%2Fc1-14-9-8-10-15%282%2919%2814%2921%2816%283%2920%2823%2924-4%2918%2822%2913-17-11-6-5-7-12-17%2Fh5-12%2C16H%2C13H2%2C1-4H3,25,44.2047996520996,47,10,3,12,0,0.589399993419647,0.347392350435257,9,12,7,3.22000002861023,6.00799989700317
InChI%3D1S%2FC12H8Cl2O3S%2Fc13-9-1-5-11%286-2-9%2917-18%2815%2C16%2912-7-3-10%2814%294-8-12%2Fh1-8H,19,21.2229995727539,26,4,0,12,0,1.0958000421524,1.20077764987946,16,12,3,2.11999988555908,3.50699996948242
InChI%3D1S%2FC4H7Br2Cl2O4P%2Fc1-10-13%289%2C11-2%2912-3%285%294%286%2C7%298%2Fh3H%2C1-2H3,12,58.2458992004395,20,13,2,0,0,2.87529993057251,8.26735019683838,5,0,5,0.910000026226044,2.26600003242493
InChI%3D1S%2FC12H15NO3%2Fc1-12%282%297-8-5-4-6-9%2810%288%2916-12%2915-11%2814%2913-3%2Fh4-6H%2C7H2%2C1-3H3%2C%28H%2C13%2C14%29,17,35.3858985900879,31,5,0,6,1,0.996399998664856,0.992812931537628,11,6,2,2.33999991416931,3.06699991226196
InChI%3D1S%2FC10H12N2O3S%2Fc1-7%282%2912-10%2813%298-5-3-4-6-9%288%2911-16%2812%2C14%2915%2Fh3-7%2C11H%2C1-2H3,17,33.7784004211426,28,3,3,6,1,-1.51909995079041,2.30766487121582,13,6,1,1.89999997615814,1.51699995994568
InChI%3D1S%2FC12H15ClNO4PS2%2Fc1-3-16-19%2820%2C17-4-2%2921-8-14-10-6-5-9%2813%297-11%2810%2918-12%2814%2915%2Fh5-7H%2C3-4%2C8H2%2C1-2H3,22,64.0662002563477,36,10,2,6,0,2.72979998588562,7.45180797576904,10,6,7,1.78999996185303,4.19199991226196
InChI%3D1S%2FC9H16N4OS%2Fc1-9%282%2C3%296-11-12-8%2815-6%2913%285%297%2814%2910-4%2Fh1-5H3%2C%28H%2C10%2C14%29,15,49.0110015869141,31,6,0,5,2,1.94060003757477,3.76592826843262,9,5,3,1.78999996185303,2.59899997711182
InChI%3D1S%2FC22H23ClN2O9%2Fc1-21%2833%2911-6%2823%294-5-7%2826%298%2811%2915%2827%299-12%2821%2917%2829%2913-14%2825%282%293%2916%2828%2910%2820%2824%2932%2919%2831%2922%2813%2C34%2918%289%2930%2Fh4-5%2C12-14%2C17%2C26-27%2C29%2C32-34H%2C24H2%2C1-3H3,37,93.9814987182617,57,3,0,6,7,-3.22429990768433,10.396110534668,12,6,1,2.55999994277954,0.0540000014007092
InChI%3D1S%2FC15H16O2%2Fc1-15%282%2C11-3-7-13%2816%298-4-11%2912-5-9-14%2817%2910-6-12%2Fh3-10%2C16-17H%2C1-2H3,18,18.7539005279541,33,2,0,12,2,-0.0063999998383224,4.09599997510668e-05,7,12,2,2.89000010490417,4.93900012969971
InChI%3D1S%2FC8H10N2O4S%2Fc1-14-8%2811%2910-15%2812%2C13%297-4-2-6%289%293-5-7%2Fh2-5H%2C9H2%2C1H3%2C%28H%2C10%2C11%29,15,28.1881008148193,25,8,0,6,2,-1.24979996681213,1.56200003623962,14,6,3,1.57000005245209,0.880999982357025
InChI%3D1S%2FC16H15F2N3Si%2Fc1-22%2812-21-11-19-10-20-21%2C15-6-2-13%2817%293-7-15%2916-8-4-14%2818%295-9-16%2Fh2-11H%2C12H2%2C1H3,24,14.6127996444702,37,3,0,17,0,3.13540005683899,9.83073329925537,6,12,4,2.55999994277954,4.83199977874756
InChI%3D1S%2FC15H12F3NO4S%2Fc1-24%2821%2C22%2912-6-9%2815%2816%2C17%2918%294-5-10%2812%2913%2820%2911-7-19-23-14%2811%298-2-3-8%2Fh4-8H%2C2-3H2%2C1H3,26,39.4444007873535,36,3,0,11,1,0.562399983406067,0.316293746232986,11,6,5,2.11999988555908,3.25999999046326
InChI%3D1S%2FC2H8NO2PS%2Fc1-5-6%283%2C4%297-2%2Fh1-2H3%2C%28H2%2C3%2C4%29,6,29.9951992034912,15,7,0,0,1,0.120399996638298,0.0144961597397923,4,0,2,1.12999999523163,-0.545000016689301
InChI%3D1S%2FC3H8NO5P%2Fc5-3%286%291-4-2-10%287%2C8%299%2Fh4H%2C1-2H2%2C%28H%2C5%2C6%29%28H2%2C7%2C8%2C9%29,9,30.781099319458,18,10,2,0,4,-1.36829996109009,1.8722448348999,4,0,4,1.01999998092651,-2.67899990081787
InChI%3D1S%2F3C6H5.Sn.H%2Fc3%2A1-2-4-6-5-3-1%3B%3B%2Fh3%2A1-5H%3B%3B,18,,43,0,0,18,0,,,6,18,0,3.32999992370605,12.1859998703003
InChI%3D1S%2FC22H19Cl2NO3%2Fc1-22%282%2917%2812-19%2823%2924%2920%2822%2921%2826%2928-18%2813-25%2914-7-6-10-16%2811-14%2927-15-8-4-3-5-9-15%2Fh3-12%2C17-18%2C20H%2C1-2H3,30,59.0901985168457,47,6,2,12,0,1.71930003166199,2.95599246025085,13,12,7,3.22000002861023,6.90899991989136
InChI%3D1S%2FC7H5N3O6%2Fc1-4-6%289%2813%2914%292-5%288%2811%2912%293-7%284%2910%2815%2916%2Fh2-3H%2C1H3,16,14.1595001220703,21,3,0,6,0,0.50220000743866,0.252204835414886,15,6,3,1.24000000953674,2.56900000572205
InChI%3D1S%2FC12H16ClNOS%2Fc1-3-14%284-2%2912%2815%2916-9-10-5-7-11%2813%298-6-10%2Fh5-8H%2C3-4%2C9H2%2C1-2H3,16,45.5448989868164,32,9,2,6,0,1.93550002574921,3.74616026878357,6,6,6,2.33999991416931,3.51999998092651
InChI%3D1S%2FC14H17ClNO4PS2%2Fc1-3-19-21%2822%2C20-4-2%2923-12%289-15%2916-13%2817%2910-7-5-6-8-11%2810%2914%2816%2918%2Fh5-8%2C12H%2C3-4%2C9H2%2C1-2H3,24,71.3122024536133,40,12,2,6,0,2.19379997253418,4.81275844573975,11,6,8,2.00999999046326,4.58099985122681
InChI%3D1S%2FC8H4O3%2Fc9-7-5-3-1-2-4-6%285%298%2810%2911-7%2Fh1-4H,12,11.2332000732422,15,0,0,6,0,-0.214599996805191,0.046053159981966,11,6,0,2.00999999046326,1.96300005912781
InChI%3D1S%2FC10H19N5S%2Fc1-6-11-7-12-8%2815-10%282%2C3%294%2914-9%2813-7%2916-5%2Fh6H2%2C1-5H3%2C%28H2%2C11%2C12%2C13%2C14%2C15%29,16,67.3699035644531,39,5,2,0,4,1.9815000295639,3.92634224891663,4,0,4,1.89999997615814,1.98599994182587
InChI%3D1S%2FC12H19ClNO3P%2Fc1-12%282%2C3%299-6-7-11%2810%2813%298-9%2917-18%2815%2C14-4%2916-5%2Fh6-8H%2C1-5H3%2C%28H%2C14%2C15%29,18,48.2943000793457,37,7,0,6,1,1.86269998550415,3.469651222229,11,6,5,2.11999988555908,3.54800009727478
InChI%3D1S%2FC2H2Cl2%2Fc1-2%283%294%2Fh1H2,3,20.460599899292,6,4,0,0,0,1.68799996376038,2.84934401512146,2,0,0,1.46000003814697,1.93299996852875
InChI%3D1S%2FC20H22N4O6S%2Fc1-28-12-17%2825%2921-16-11-14%2831-13-7-5-4-6-8-13%299-10-15%2816%2922-18%2823-19%2826%2929-2%2924-20%2827%2930-3%2Fh4-11H%2C12H2%2C1-3H3%2C%28H%2C21%2C25%29%28H2%2C22%2C23%2C24%2C26%2C27%29,32,64.9962005615234,53,12,2,12,3,0.659099996089935,0.434412807226181,19,12,10,2.45000004768372,4.17000007629395
InChI%3D1S%2FC17H9ClF8N2O4%2Fc18-8-6-7%284-5-11%288%2931-16%2822%2C23%2914%2821%2932-17%2824%2C25%2926%2927-15%2830%2928-13%2829%2912-9%2819%292-1-3-10%2812%2920%2Fh1-6%2C14H%2C%28H2%2C27%2C28%2C29%2C30%29,33,43.798900604248,41,11,2,12,2,4.70629978179932,22.1492595672607,19,12,8,1.67999994754791,5.88100004196167
InChI%3D1S%2FC20H19NO3%2Fc1-16%2823-20-9-5-6-14-21-20%2915-22-17-10-12-19%2813-11-17%2924-18-7-3-2-4-8-18%2Fh2-14%2C16H%2C15H2%2C1H3,26,18.8661003112793,43,5,3,18,0,-0.44980001449585,0.202320039272308,14,18,7,3.22000002861023,6.15700006484985
InChI%3D1S%2FC22H17N3O5%2Fc1-27-13-17%2822%2826%2928-2%2916-8-4-6-10-19%2816%2930-21-11-20%2824-14-25-21%2929-18-9-5-3-7-15%2818%2912-23%2Fh3-11%2C13-14H%2C1-2H3,32,37.0811996459961,47,8,3,18,0,-0.562900006771088,0.316856414079666,28,18,8,3,5.03000020980835
InChI%3D1S%2FC10H9Cl4O4P%2Fc1-16-19%2815%2C17-2%2918-10%285-11%296-3-8%2813%299%2814%294-7%286%2912%2Fh3-5H%2C1-2H3,19,53.5253982543945,28,10,2,6,0,2.65429997444153,7.0453085899353,13,6,5,1.57000005245209,3.46000003814697
InChI%3D1S%2FC7H13N3O3S%2Fc1-8-7%2812%2913-9-5%2814-4%296%2811%2910%282%293%2Fh1-4H3%2C%28H%2C8%2C12%29,13,53.7678985595703,27,14,2,0,1,0.532599985599518,0.283662766218185,9,0,5,1.46000003814697,0.953999996185303
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,25,88.0130996704102,22,0,0,0,0,5.35629987716675,28.6899490356445,0,0,0,1.35000002384186,5.97900009155273
InChI%3D1S%2FC9H7N3S%2Fc1-6-3-2-4-7-8%286%2912-5-10-11-9%2812%2913-7%2Fh2-5H%2C1H3,15,16.1935997009277,20,0,0,14,1,1.24580001831055,1.55201768875122,12,12,0,2.00999999046326,2.41599988937378
InChI%3D1S%2FC9H9N3O2%2Fc1-14-9%2813%2912-8-10-6-4-2-3-5-7%286%2911-8%2Fh2-5H%2C1H3%2C%28H2%2C10%2C11%2C12%2C13%29,15,15.5243997573853,22,5,0,10,3,0.57150000333786,0.326612263917923,8,6,2,1.89999997615814,2.30100011825562
InChI%3D1S%2FC7H9NO%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5H%2C8H2%2C1H3,9,11.5378999710083,18,2,0,6,1,-0.801699995994568,0.642722904682159,8,6,1,2.00999999046326,1.32200002670288
InChI%3D1S%2FC17H17N2%2Fc1-18-16%2814-9-5-3-6-10-14%2913-17%2819%2818%292%2915-11-7-4-8-12-15%2Fh3-13H%2C1-2H3,21,30.2336006164551,37,0,0,12,0,0.20160000026226,0.0406425595283508,10,12,2,3.10999989509583,5.8439998626709
InChI%3D1S%2FC48H81NO17%2Fc1-15-35-32%2823-60-45-42%2859-14%2941%2858-13%2938%2854%2928%285%2961-45%2920-25%282%2916-17-33%2851%2926%283%2921-31%2818-19-50%2939%2827%284%2934%2852%2922-36%2853%2962-35%2966-48%2810%2944%2856%2937%2849%2811%2912%2940%2829%286%2964-48%2965-47%289%2924-46%288%2C57%2943%2855%2930%287%2963-47%2Fh16-17%2C19-20%2C26-32%2C34-35%2C37-45%2C52%2C54-57H%2C15%2C18%2C21-24H2%2C1-14H3,69,239.149795532227,147,3,2,0,5,-2.47729992866516,6.1370153427124,6,0,13,4.76000022888184,1.62100005149841
InChI%3D1S%2FC3H6N2S%2Fc6-3-4-1-2-5-3%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29,6,26.6289005279541,12,0,0,0,1,0.351799994707108,0.123763240873814,3,0,0,1.46000003814697,0.122000001370907
InChI%3D1S%2FC12H13N5O6S2%2Fc1-6-13-10%2816-12%2814-6%2923-3%2915-11%2819%2917-25%2820%2C21%297-4-5-24-8%287%299%2818%2922-2%2Fh4-5H%2C1-3H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%2C19%29,26,70.1602020263672,42,7,0,5,4,-0.428999990224838,0.184040993452072,18,5,6,1.35000002384186,1.04700005054474
InChI%3D1S%2FC9H7NO%2Fc11-8-5-1-3-7-4-2-6-10-9%287%298%2Fh1-6%2C11H,12,2.56459999084473,18,0,0,11,1,-0.460299998521805,0.211876094341278,11,10,0,2.23000001907349,1.85399997234344
InChI%3D1S%2FC10H10ClNO2%2Fc1-7%2813%2912-9-4-2-8%283-5-9%2910%2814%296-11%2Fh2-5H%2C6H2%2C1H3%2C%28H%2C12%2C13%29,14,29.4244003295898,24,4,2,6,1,0.207000002264977,0.0428490005433559,11,6,3,2.11999988555908,2.36800003051758
InChI%3D1S%2FC12H8Cl6O%2Fc13-8-9%2814%2911%2816%295-3-1-2%286-7%283%2919-6%294%285%2910%288%2C15%2912%2811%2C17%2918%2Fh2-7H%2C1H2,23,76.1249008178711,27,0,0,0,0,2.33809995651245,5.46671152114868,2,0,0,2.00999999046326,3.00500011444092
InChI%3D1S%2FC14H9Cl5O%2Fc15-11-5-1-9%282-6-11%2913%2820%2C14%2817%2C18%2919%2910-3-7-12%2816%298-4-10%2Fh1-8%2C20H,21,37.0377998352051,29,6,2,12,1,2.43160009384155,5.91267871856689,6,12,3,2.33999991416931,6.1100001335144
InChI%3D1S%2FC12H14ClNO2%2Fc1-12%282%298-16-14%2811%2812%2915%297-9-5-3-4-6-10%289%2913%2Fh3-6H%2C7-8H2%2C1-2H3,17,37.7252998352051,30,0,0,6,0,0.892799973487854,0.797091841697693,6,6,2,2.33999991416931,2.45700001716614
InChI%3D1S%2FC11H21NOS%2Fc1-3-12%2811%2813%2914-4-2%2910-8-6-5-7-9-10%2Fh10H%2C3-9H2%2C1-2H3,14,53.1730003356934,35,8,2,0,0,-0.310799986124039,0.0965966433286667,3,0,5,2.33999991416931,2.97699999809265
InChI%3D1S%2FC42H71NO9%2Fc1-10-27-12-11-13-35%2852-38-17-16-34%2843%285%296%2925%284%2949-38%2924%283%2939%2845%2933-21-31-29%2832%2833%2922-37%2844%2951-27%2915-14-26-19-28%2820-30%2826%2931%2950-36-18-23%282%2940%2846-7%2942%2848-9%2941%2836%2947-8%2Fh23-36%2C38%2C40-42H%2C10-22H2%2C1-9H3,57,182.957992553711,123,2,2,0,0,-2.57340002059937,6.62238740921021,3,0,9,4.98000001907349,5.63000011444092
InChI%3D1S%2FC18H41N7%2Fc19-17%2820%2924-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18%2821%2922%2Fh23H%2C1-16H2%2C%28H4%2C19%2C20%2C24%29%28H4%2C21%2C22%2C25%29,24,79.4873962402344,66,25,8,0,7,-4.76900005340576,22.7433605194092,4,0,20,2.67000007629395,4.17799997329712
InChI%3D1S%2FC10H17N2O4PS%2Fc1-5-8-11-9%2815-6-2%297-10%2812-8%2916-17%2818%2C13-3%2914-4%2Fh7H%2C5-6H2%2C1-4H3,18,50.8129005432129,35,7,2,6,0,0.966899991035461,0.934895634651184,12,6,7,1.67999994754791,3.13499999046326
InChI%3D1S%2FC15H21ClN2O2%2Fc1-4-12-7-6-8-13%285-2%2915%2812%2918%2814%2820%299-16%2910-17-11%283%2919%2Fh6-8H%2C4-5%2C9-10H2%2C1-3H3%2C%28H%2C17%2C19%29,20,56.5177993774414,41,10,2,6,1,-0.654900014400482,0.428894013166428,9,6,7,2.55999994277954,4.04899978637695
InChI%3D1S%2FC11H12NO4PS2%2Fc1-15-17%2818%2C16-2%2919-7-12-10%2813%298-5-3-4-6-9%288%2911%2812%2914%2Fh3-6H%2C7H2%2C1-2H3,20,53.4532012939453,31,8,0,6,0,0.810400009155273,0.656748175621033,11,6,5,1.78999996185303,2.93300008773804
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%2C1-4H3,28,77.5813980102539,66,11,7,6,0,-1.78279995918274,3.17837572097778,12,6,16,3.66000008583069,9.04199981689453
InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3,8,10.3505001068115,18,2,2,6,0,0.30689999461174,0.0941876098513603,6,6,1,2.33999991416931,4.9539999961853
InChI%3D1S%2FC9H9ClO3%2Fc1-6-4-7%2810%292-3-8%286%2913-5-9%2811%2912%2Fh2-4H%2C5H2%2C1H3%2C%28H%2C11%2C12%29,13,24.5181007385254,22,5,2,6,1,0.790600001811981,0.625048339366913,7,6,3,2.00999999046326,1.94200003147125
InChI%3D1S%2FC26H22ClF3N2O3%2Fc1-16%282%2924%2832-22-12-11-18%2814-21%2822%2927%2926%2828%2C29%2930%2925%2833%2935-23%2815-31%2917-7-6-10-20%2813-17%2934-19-8-4-3-5-9-19%2Fh3-14%2C16%2C23-24%2C32H%2C1-2H3,37,50.3730010986328,57,11,4,18,1,1.47019994258881,2.16148805618286,13,18,10,3.32999992370605,8.22000026702881
InChI%3D1S%2FC24H17N5O7%2Fc1-36-21-10-9-17%2829%2834%2935%2913-20%2821%2926-27-22-18-8-3-2-5-14%2818%2911-19%2823%2822%2930%2924%2831%2925-15-6-4-7-16%2812-15%2928%2832%2933%2Fh2-13%2C30H%2C1H3%2C%28H%2C25%2C31%29,39,24.1284008026123,53,3,0,23,2,-0.686900019645691,0.471831619739532,35,22,7,2.77999997138977,8.08500003814697
InChI%3D1S%2FC25H22ClNO3%2Fc1-17%282%2924%2818-11-13-20%2826%2914-12-18%2925%2828%2930-23%2816-27%2919-7-6-10-22%2815-19%2929-21-8-4-3-5-9-21%2Fh3-15%2C17%2C23-24H%2C1-2H3,32,40.937198638916,52,10,4,18,0,0.804899990558624,0.647863984107971,13,18,8,3.66000008583069,7.78200006484985
InChI%3D1S%2FC24H27N3O4%2Fc1-17-21%2822%2827%285%2926-17%2930-20-9-7-6-8-10-20%2915-25-29-16-18-11-13-19%2814-12-18%2923%2828%2931-24%282%2C3%294%2Fh6-15H%2C16H2%2C1-5H3,33,55.6208000183105,58,7,0,17,1,1.16670000553131,1.3611888885498,9,12,9,3.32999992370605,6.91499996185303
InChI%3D1S%2FC19H23N3%2Fc1-14-6-8-18%2816%283%2910-14%2920-12-22%285%2913-21-19-9-7-15%282%2911-17%2819%294%2Fh6-13H%2C1-5H3,23,45.3070983886719,45,6,0,12,0,2.09060001373291,4.37060832977295,17,12,4,3.22000002861023,6.64300012588501
InChI%3D1S%2FC6Cl5NO2%2Fc7-1-2%288%294%2810%296%2812%2813%2914%295%2811%293%281%299,14,30.9638004302979,14,2,0,6,0,3.67490005493164,13.5048904418945,9,6,1,1.24000000953674,3.16300010681152
InChI%3D1S%2FC7H12ClN5%2Fc1-3-9-6-11-5%288%2912-7%2813-6%2910-4-2%2Fh3-4H2%2C1-2H3%2C%28H2%2C9%2C10%2C11%2C12%2C13%29,13,48.8867988586426,27,3,2,0,3,0.847299993038177,0.717917263507843,7,0,2,1.57000005245209,1.65799999237061
InChI%3D1S%2FC19H17ClN4%2Fc20-18-8-6-16%287-9-18%2910-11-19%2812-21%2C13-24-15-22-14-23-24%2917-4-2-1-3-5-17%2Fh1-9%2C14-15H%2C10-11%2C13H2,26,31.7756996154785,41,6,4,17,2,0.558799982070923,0.312257438898087,6,12,6,3,5.86899995803833
InChI%3D1S%2FC31H42O2%2Fc1-24%2814-9-10-15-25%282%2918-12-19-28%285%2930%2832%2933-8%2916-11-17-26%283%2921-22-29-27%284%2920-13-23-31%2829%2C6%297%2Fh9-12%2C14-19%2C21-22H%2C13%2C20%2C23H2%2C1-8H3,33,151.312805175781,75,24,17,0,0,7.00880002975464,49.1232757568359,21,0,10,4.65000009536743,9.92399978637695
InChI%3D1S%2FC18H24N2O6%2Fc1-3-5-6-7-8-9-11-14-12-15%2819%2822%2923%2918%2816%2813-14%2920%2824%2925%2926-17%2821%2910-4-2%2Fh4%2C10%2C12-13H%2C3%2C5-9%2C11H2%2C1-2H3,26,56.2729988098145,50,8,8,6,0,-0.998000025749207,0.996003985404968,17,6,12,2.55999994277954,7.4689998626709
InChI%3D1S%2FC8H6Cl2O3%2Fc9-5-1-2-7%286%2810%293-5%2913-4-8%2811%2912%2Fh1-3H%2C4H2%2C%28H%2C11%2C12%29,13,24.6315994262695,19,5,2,6,1,0.892899990081787,0.79727041721344,7,6,3,1.78999996185303,1.92599999904633
InChI%3D1S%2FC5H10N2S2%2Fc1-6-3-7%282%295%288%299-4-6%2Fh3-4H2%2C1-2H3,9,45.986198425293,19,0,0,0,0,1.60210001468658,2.56672430038452,3,0,0,1.57000005245209,0.778999984264374
InChI%3D1S%2FC11H18N4O2%2Fc1-7-8%282%2912-10%2814%283%294%2913-9%287%2917-11%2816%2915%285%296%2Fh1-6H3,17,45.7122001647949,35,6,0,6,0,1.41989994049072,2.01611590385437,11,6,4,2.00999999046326,1.23099994659424
InChI%3D1S%2FC10H13ClO%2Fc1-10%282%2C3%297-4-5-9%2812%298%2811%296-7%2Fh4-6%2C12H%2C1-3H3,12,27.306999206543,25,3,0,6,1,1.84019994735718,3.38633608818054,7,6,1,2.33999991416931,3.93499994277954
InChI%3D1S%2FC12H9Cl%2Fc13-12-8-4-7-11%289-12%2910-5-2-1-3-6-10%2Fh1-9H,14,5.61560010910034,22,0,0,12,0,0.744300007820129,0.553982496261597,12,12,1,2.67000007629395,6.33300018310547
InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H,12,54.0810012817383,18,0,0,0,0,4.16340017318726,17.3339004516602,0,0,0,1.46000003814697,3.83400011062622
InChI%3D1S%2FC19H17ClN2O4%2Fc1-3-24-19%2823%2912%282%2925-14-5-7-15%288-6-14%2926-18-11-21-17-10-13%2820%294-9-16%2817%2922-18%2Fh4-12H%2C3H2%2C1-2H3,28,34.3574981689453,43,8,3,17,0,0.591899991035461,0.350345611572266,18,16,7,2.77999997138977,4.4980001449585
InChI%3D1S%2FC6H11N2O4PS3%2Fc1-10-5-7-8%286%289%2916-5%294-15-13%2814%2C11-2%2912-3%2Fh4H2%2C1-3H3,16,70.3099975585938,29,8,0,0,1,2.28909993171692,5.2399787902832,4,0,6,1.01999998092651,1.46399998664856
InChI%3D1S%2FC10H12O5%2Fc1-2-3-15-10%2814%296-4-7%2811%299%2813%298%2812%295-6%2Fh4-5%2C11-13H%2C2-3H2%2C1H3,15,27.507999420166,27,6,3,6,3,-1.69710004329681,2.88014841079712,12,6,4,2.00999999046326,1.10399997234344