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

SMILES,bpol,RPCG,RPCS,THSA,apol,FPSA-1,FPSA-3
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%2C4-6H2,23.5173110961914,0.0881587639451027,1.93660056591034,572.718566894531,45.0606880187988,0.58215457201004,0.0381659343838692
InChI%3D1S%2FC12H14N2%2Fc1-13-7-3-11%284-8-13%2912-5-9-14%282%2910-6-12%2Fh3-10H%2C1-2H3,28.0105533599854,0.0509170144796371,1.07006919384003,533.868041992188,37.989444732666,0.797110259532928,0.0290371682494879
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,11.9388628005981,0.225426197052002,5.13268947601318,566.261413574219,42.3431358337402,0.335999578237534,0.0358079709112644
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%29,37.3585548400879,0.0887908041477203,0.463530272245407,566.099609375,61.9814453125,0.654844284057617,0.0483688786625862
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%2C3-4H2,17.6948623657227,0.188113421201706,0.0,439.509033203125,37.9251365661621,0.383172810077667,0.0213978551328182
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%29,20.344898223877,0.123441681265831,0.0,455.502532958984,29.3351020812988,0.668451726436615,0.0353541895747185
InChI%3D1S%2FC8H6Cl2O3%2Fc9-5-1-2-7%286%2810%293-5%2913-4-8%2811%2912%2Fh1-3H%2C4H2%2C%28H%2C11%2C12%29,10.2732419967651,0.227248057723045,3.16596364974976,269.254547119141,24.8467578887939,0.374077945947647,0.0416630655527115
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%2C1H3,29.7903118133545,0.210989639163017,0.0,505.363372802734,45.9476890563965,0.525487720966339,0.0292745139449835
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%2C1H3,22.8424835205078,0.229747280478477,0.0,660.435668945312,47.0775146484375,0.418533146381378,0.018000029027462
InChI%3D1S%2FC10H12O%2Fc1-3-4-9-5-7-10%2811-2%298-6-9%2Fh3-8H%2C1-2H3,15.0344839096069,0.102505601942539,0.635061621665955,398.125122070312,26.4035167694092,0.709701955318451,0.0340898372232914
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%2C1-4H3,47.289867401123,0.141805157065392,0.401362270116806,719.419006347656,70.7861328125,0.830562829971313,0.0284551680088043
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%2C1H3,26.2731056213379,0.211624026298523,0.0,650.666015625,46.3048934936523,0.467779815196991,0.023445250466466
InChI%3D1S%2FC2H3Cl3O2%2Fc3-2%284%2C5%291%286%297%2Fh1%2C6-7H,4.53962087631226,0.298995167016983,0.0,191.098114013672,13.664379119873,0.266744375228882,0.0490681864321232
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%29,37.2121391296387,0.101201929152012,0.264522135257721,621.250793457031,52.565860748291,0.640064537525177,0.0449087135493755
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%2C11-15H2,31.4915542602539,0.10095376521349,1.76522195339203,594.945739746094,52.7684478759766,0.70459109544754,0.0393271893262863
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%2C1-2H3,28.6488971710205,0.22258223593235,0.637607395648956,645.623352050781,38.5751037597656,0.670220732688904,0.0296996962279081
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%2C1-3H3,27.0198974609375,0.194359228014946,0.0,752.003967285156,46.938102722168,0.574549198150635,0.0383137576282024
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%29,20.4038982391357,0.176460385322571,0.532746315002441,285.139129638672,38.0381011962891,0.590564787387848,0.035297691822052
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%29,21.6141052246094,0.160100445151329,0.996918737888336,358.180206298828,38.5878944396973,0.634316146373749,0.0380445793271065
InChI%3D1S%2FC9H7N3S%2Fc1-6-3-2-4-7-8%286%2912-5-10-11-9%2812%2913-7%2Fh2-5H%2C1H3,14.7588634490967,0.192812129855156,1.34613728523254,359.672149658203,28.0411376953125,0.596692204475403,0.0389783978462219
InChI%3D1S%2FC2H7O3P%2Fc1-4-6%283%295-2%2Fh6H%2C1-2H3,19.9224491119385,,,,14.2235507965088,,
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%2C1H3,19.0188980102539,0.188046604394913,2.22950720787048,582.755981445312,44.261100769043,0.530458867549896,0.0381497852504253
InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H,10.9320697784424,0.249726191163063,8.82255458831787,360.316467285156,28.5899295806885,0.627629995346069,0.0524942465126514
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%29,19.634105682373,0.246369287371635,1.10796141624451,352.089569091797,32.0658950805664,0.733072221279144,0.0402119867503643
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%29,24.8245182037354,0.163386583328247,3.78071022033691,444.183837890625,35.2774810791016,0.792246222496033,0.0392060615122318
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%29,21.9141044616699,0.239376842975616,1.26471722126007,466.424285888672,34.9658966064453,0.7264324426651,0.0379473157227039
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%29,35.463794708252,0.133283674716949,0.0502991005778313,658.0546875,61.9962043762207,0.758031010627747,0.0343020781874657
InChI%3D1S%2FC6H8N2O%2Fc7-4-1-2-6%289%295%288%293-4%2Fh1-3%2C9H%2C7-8H2,7.42565584182739,0.206305131316185,4.34026145935059,243.059097290039,18.8963432312012,0.675245225429535,0.0717761367559433
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%2C1-3H3,27.1381397247314,0.108415745198727,0.0,583.23583984375,45.0598602294922,0.643354296684265,0.0351204536855221
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%2C5-6H2,18.31907081604,0.276807904243469,0.0,543.061828613281,35.7209281921387,0.468476861715317,0.0348901376128197
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%29,19.9840698242188,0.182601541280746,1.40118765830994,376.258117675781,29.05592918396,0.586344599723816,0.0612394325435162
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%29,19.0696907043457,0.136614233255386,0.56281965970993,519.096984863281,51.1323089599609,0.459381103515625,0.0414018705487251
InChI%3D1S%2FC5H5N3O%2Fc6-5%289%294-3-7-1-2-8-4%2Fh1-3H%2C%28H2%2C6%2C9%29,8.10603523254395,0.194468319416046,5.63136720657349,205.408752441406,16.2359657287598,0.692891657352448,0.0808478891849518
InChI%3D1S%2FC7H14NO5P%2Fc1-6%285-7%289%298-2%2913-14%2810%2C11-3%2912-4%2Fh5H%2C1-4H3%2C%28H%2C8%2C9%29,6.72203493118286,0.297909945249557,12.8512382507324,265.560638427734,17.3999652862549,0.452171891927719,0.0495913922786713
InChI%3D1S%2FC4H6O2%2Fc1-3%282%294%285%296%2Fh1H2%2C2H3%2C%28H%2C5%2C6%29,7.51724195480347,0.400638192892075,1.7387353181839,197.107025146484,12.6447582244873,0.587680757045746,0.0406625755131245
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%2C1H3,26.7457256317139,0.171961560845375,1.18975102901459,854.229858398438,56.1302757263184,0.601665377616882,0.0559565164148808
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%2C1-2H3,29.3471050262451,0.16260176897049,0.0,880.107360839844,54.006893157959,0.513149440288544,0.0252638272941113
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%2C1-4H3,36.6909332275391,0.140999615192413,0.0,553.075439453125,44.5110664367676,0.76398104429245,0.0306739639490843
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%2C1-2H3,37.1115188598633,,,,62.8204803466797,,
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%29,37.1105194091797,0.10874131321907,0.0205186065286398,644.520690917969,50.9474792480469,0.667527318000793,0.0393482334911823
InChI%3D1S%2FC11H14ClNO%2Fc1-9%282%2913%2811%2814%298-12%2910-6-4-3-5-7-10%2Fh3-7%2C9H%2C8H2%2C1-2H3,18.6628971099854,0.223621264100075,0.295368671417236,454.172607421875,32.7771034240723,0.542978942394257,0.0254356861114502
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%29,13.1328630447388,0.235899418592453,1.29085695743561,282.805816650391,26.4271373748779,0.448745250701904,0.0279010180383921
InChI%3D1S%2FC6H9N3O3%2Fc1-5-7-4-6%289%2811%2912%298%285%292-3-10%2Fh4%2C10H%2C2-3H2%2C1H3,18.1076908111572,0.168025285005569,4.51623201370239,318.787231445312,24.9343090057373,0.678862869739532,0.0456434115767479
InChI%3D1S%2FC12H11N%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10%2C13H,12.6852769851685,0.16748870909214,2.13048624992371,410.469818115234,29.554723739624,0.641494512557983,0.0415392965078354
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%2C1-2H3,24.5631046295166,0.28351229429245,0.0,428.025665283203,41.876895904541,0.54083514213562,0.0338011644780636
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%2C1-2H3,29.3471050262451,0.162629261612892,0.0,888.818603515625,54.006893157959,0.518909275531769,0.0255507491528988
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%29,27.635347366333,0.139324873685837,0.0,518.862182617188,46.3866539001465,0.682007431983948,0.0342952199280262
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%2C1-6H3,39.9718322753906,0.0502289459109306,0.0,617.356506347656,59.1061706542969,0.864184200763702,0.0282619092613459
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%29,23.6245193481445,0.0970291495323181,0.0366172306239605,414.754089355469,35.9554824829102,0.65153694152832,0.0326673164963722
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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%29,33.8457946777344,0.14474929869175,0.0273130219429731,973.971252441406,61.1942024230957,0.623601198196411,0.0352701842784882
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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%2C1H3,27.1606903076172,0.164221227169037,0.0,653.433227539062,50.9133071899414,0.442704170942307,0.0267565008252859
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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%2C1-3H3,27.1381397247314,0.163890078663826,0.0,481.752899169922,42.8598594665527,0.665220856666565,0.0288572274148464
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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%2C1-3H3,26.450553894043,0.127043545246124,0.421569496393204,695.440856933594,47.3514442443848,0.515942811965942,0.0280699487775564
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%29,19.634105682373,0.246237322688103,2.276686668396,473.924530029297,32.0658950805664,0.79087746143341,0.0413336418569088
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%2C1-2H3,29.9205532073975,0.132530823349953,0.22506745159626,551.892272949219,64.3554458618164,0.575235247612,0.0309470351785421
InChI%3D1S%2FC2H6ClO3P%2Fc3-1-2-7%284%2C5%296%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29,15.4172420501709,0.292862862348557,9.13146018981934,203.631164550781,15.7367582321167,0.566003084182739,0.0749767050147057
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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%29,18.8016567230225,0.181984648108482,0.360908210277557,88.991828918457,19.3543434143066,0.509013950824738,0.0784286633133888
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InChI%3D1S%2F3C6H5.Sn.H%2Fc3%2A1-2-4-6-5-3-1%3B%3B%2Fh3%2A1-5H%3B%3B,47.8105545043945,,,,55.3830337524414,,
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%2C1-4H3,32.2553825378418,0.0722443535923958,0.0,705.468994140625,50.6206169128418,0.617419898509979,0.0227655731141567
InChI%3D1S%2FC6H12N2S4%2Fc1-7%282%295%289%2911-12-6%2810%298%283%294%2Fh1-4H3,21.6384830474854,0.156112372875214,0.584233283996582,546.773315429688,32.361515045166,0.408283829689026,0.0169048793613911
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%29,24.893726348877,0.213337615132332,0.925866842269897,399.019561767578,36.9262733459473,0.799932718276978,0.0436260402202606
InChI%3D1S%2FC7H6N2O4%2Fc8-6-3-4%289%2812%2913%291-2-5%286%297%2810%2911%2Fh1-3H%2C8H2%2C%28H%2C10%2C11%29,8.11324214935303,0.237287178635597,3.43268656730652,247.485321044922,21.7287578582764,0.464157551527023,0.0616195015609264
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%2C9H2,25.0737266540527,0.0831072181463242,1.74657678604126,587.369995117188,44.0042724609375,0.603001892566681,0.0346226133406162
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InChI%3D1S%2FC6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299,2.51999998092651,0.16666667163372,0.849113583564758,449.400115966797,23.6399993896484,0.272079050540924,0.0341731496155262
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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%2C1-2H3,30.2499332427979,0.184516087174416,12.6268539428711,820.222900390625,60.5060653686523,0.419534534215927,0.056813683360815
InChI%3D1S%2FC6H4Cl2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H,5.21282815933228,0.180951297283173,0.921889185905457,349.857360839844,17.5871715545654,0.427479922771454,0.02847545966506
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%29,11.786449432373,0.214238375425339,0.323400378227234,350.324371337891,29.4535503387451,0.33888441324234,0.0263435188680887
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InChI%3D1S%2FC6H13N%2Fc7-6-4-2-1-3-5-6%2Fh6H%2C1-5%2C7H2,13.5516910552979,0.211803749203682,5.46333122253418,320.744659423828,20.3283081054688,0.857635498046875,0.0390850305557251
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%29,18.0040702819824,0.2974873483181,0.418693661689758,542.316711425781,27.2959308624268,0.435026049613953,0.0360083691775799
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InChI%3D1S%2FC6H4Cl2N2O2%2Fc7-4-1-3%2810%2811%2912%292-5%288%296%284%299%2Fh1-2H%2C9H2,5.80882787704468,0.15909019112587,1.05066609382629,344.570129394531,21.3911724090576,0.285763829946518,0.0279187709093094
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InChI%3D1S%2FCClN%2Fc2-1-3,1.08000004291534,1.0,71.6714782714844,83.7758026123047,5.03999996185303,0.329295694828033,0.0875321328639984
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%2C11H2,30.7776908874512,,,,44.8623085021973,,
InChI%3D1S%2FC8H8%2Fc1-2-8-6-4-3-5-7-8%2Fh2-7H%2C1H2,8.74565601348877,0.130218967795372,1.80908608436584,356.748992919922,19.4143447875977,0.560819566249847,0.0333030298352242
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%2C1-3H3,30.2825546264648,0.164692342281342,1.49165332317352,679.99169921875,48.5154457092285,0.673244595527649,0.0303045958280563
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%29,25.4205188751221,0.164804816246033,0.98993182182312,503.688323974609,40.2594795227051,0.673654139041901,0.0386362746357918
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%29,15.6680698394775,0.187083840370178,0.353012084960938,400.563842773438,30.6719303131104,0.525436639785767,0.0361342541873455
InChI%3D1S%2FC10H20O%2Fc1-7%282%299-5-4-8%283%296-10%289%2911%2Fh7-11H%2C4-6H2%2C1-3H3,21.8641395568848,0.263627767562866,5.79699420928955,339.20947265625,31.7378597259521,0.896701753139496,0.0342285186052322
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%2C1-2H3,26.6932773590088,0.197927236557007,1.04673397541046,550.429565429688,39.7507247924805,0.580630123615265,0.0298368576914072
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%29,24.336311340332,0.226950168609619,0.0,738.054016113281,44.9636878967285,0.629534661769867,0.033745639026165
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%29,15.6028633117676,0.183146074414253,3.51917481422424,392.229156494141,37.7391357421875,0.45422375202179,0.0495481714606285
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%29,31.3837604522705,0.0939654260873795,0.508274793624878,570.50830078125,41.336238861084,0.744969069957733,0.0303325895220041
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%2C1-5H3,30.6853466033936,0.156036093831062,0.323870241641998,582.051330566406,44.7106513977051,0.762792766094208,0.0361088439822197
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%29,22.9341049194336,0.18855020403862,0.818291664123535,428.315765380859,34.2658958435059,0.740215539932251,0.0472099296748638
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%29,34.1209335327148,0.265532582998276,5.37325763702393,648.117004394531,43.1050682067871,0.630579173564911,0.0398721694946289
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%2C13H2,26.0173473358154,0.081189252436161,0.183199405670166,594.242065429688,54.0226516723633,0.605559289455414,0.0414157472550869
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%29,22.1642761230469,0.187391191720963,2.71676540374756,579.658508300781,41.8937225341797,0.375456482172012,0.033290408551693
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%29,11.9988632202148,0.226403653621674,3.74135875701904,341.560668945312,28.1031360626221,0.477120608091354,0.0287960413843393
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%2C1-3H3,31.0859336853027,0.181009367108345,0.0,657.886657714844,54.9480667114258,0.581946194171906,0.0329434797167778
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%29,27.7837600708008,0.145979359745979,3.10987591743469,464.871459960938,38.7982406616211,0.836945474147797,0.0402981527149677
InChI%3D1S%2FC9H22O4P2S4%2Fc1-5-10-14%2816%2C11-6-2%2918-9-19-15%2817%2C12-7-3%2913-8-4%2Fh5-9H2%2C1-4H3,44.3945541381836,0.139213547110558,1.31396222114563,772.326049804688,52.5774459838867,0.736567258834839,0.0238530021160841
InChI%3D1S%2FC10H16Cl3NOS%2Fc1-6%282%2914%287%283%294%2910%2815%2916-5-8%2811%299%2812%2913%2Fh6-7H%2C5H2%2C1-4H3,42.9170379638672,0.101643837988377,0.882251024246216,944.348205566406,73.2429656982422,0.585941970348358,0.0317506864666939
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,12.2256555557251,0.17470882833004,0.593390583992004,722.931640625,38.7343444824219,0.344895303249359,0.0235327556729317
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%29,29.985725402832,0.146517500281334,0.117836363613605,547.805908203125,45.2342758178711,0.467107772827148,0.0247353687882423
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%2C1-2H3,27.494140625,0.155457153916359,0.0880005210638046,753.171630859375,57.0618591308594,0.483755618333817,0.0277635660022497
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%2C1-3H3,30.8233814239502,0.121711544692516,0.339256107807159,753.940795898438,51.7786178588867,0.622202455997467,0.0354058295488358
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%2C6H2,23.0501041412354,0.118254959583282,0.0,477.904449462891,40.3858947753906,0.631720960140228,0.0462009310722351
InChI%3D1S%2FC9H12NO5PS%2Fc1-7-6-8%284-5-9%287%2910%2811%2912%2915-16%2817%2C13-2%2914-3%2Fh4-6H%2C1-3H3,11.3928632736206,0.215010657906532,6.09828090667725,302.099365234375,15.7451372146606,0.690725803375244,0.0280097611248493
InChI%3D1S%2FC11H21NOS%2Fc1-3-12%2811%2813%2914-4-2%2910-8-6-5-7-9-10%2Fh10H%2C3-9H2%2C1-2H3,28.1753463745117,0.28730434179306,1.35530006885529,474.735046386719,38.1646537780762,0.804445385932922,0.025067787617445
InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H,3.22320699691772,0.710292398929596,15.6364164352417,268.721710205078,9.83679294586182,0.192212015390396,0.0297142062336206
InChI%3D1S%2FC6H3Cl4N%2Fc7-5-3-1-2-4%2811-5%296%288%2C9%2910%2Fh1-3H,6.27962112426758,0.399980425834656,0.0,364.224731445312,22.3803787231445,0.210073724389076,0.0151340449228883
InChI%3D1S%2FC10H18N4O4S3%2Fc1-7%2819-5%2911-17-9%2815%2913%283%2921-14%284%2910%2816%2918-12-8%282%2920-6%2Fh1-6H3,36.2257270812988,0.230469509959221,1.65253388881683,567.396606445312,45.9102745056152,0.671830356121063,0.029440013691783
InChI%3D1S%2FC8H8O3%2Fc1-11-8%2810%296-4-2-3-5-7%286%299%2Fh2-5%2C9H%2C1H3,11.6196556091309,0.260947048664093,2.00236940383911,255.360000610352,21.8203449249268,0.641879618167877,0.0467076376080513
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H,2.35320711135864,0.712559044361115,14.745135307312,264.560455322266,8.96679306030273,0.188949048519135,0.0306878555566072
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%29,24.4208984375,0.160878926515579,0.485199421644211,388.699584960938,39.3591003417969,0.642440974712372,0.041591715067625
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%2C1-4H3,31.3023128509521,0.205865442752838,0.0,715.767761230469,48.3576889038086,0.435387134552002,0.0170526225119829
InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H,9.07924175262451,0.108260042965412,0.0,374.563720703125,27.6407585144043,0.182379886507988,0.0105708846822381
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%29,29.9153461456299,0.159634932875633,0.80826884508133,525.796997070312,52.8066520690918,0.576215207576752,0.0266654565930367
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%29,16.1480693817139,0.148540437221527,0.616624355316162,309.017791748047,25.7939300537109,0.662253260612488,0.0611055940389633
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%2C1-2H3,25.0085544586182,0.175294801592827,0.589868009090424,458.609619140625,34.8314476013184,0.847878754138947,0.0238771047443151
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%29,24.7177257537842,0.117292188107967,2.33862376213074,696.198974609375,35.522274017334,0.648731708526611,0.0350757502019405
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%2C1-2H3,28.8009338378906,0.141532972455025,0.427298009395599,623.274230957031,60.9950675964355,0.504296600818634,0.0278529059141874
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%2C1-2H3,26.0255184173584,0.231726557016373,0.0,581.338989257812,43.4944801330566,0.514364421367645,0.0225632395595312
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%2C1-2H3,27.1864833831787,0.14735908806324,0.778553068637848,478.398284912109,41.0995178222656,0.691268742084503,0.0425966940820217
InChI%3D1S%2FC6H7NO%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4%2C8H%2C7H2,6.9924488067627,0.269748449325562,5.93158388137817,223.940322875977,17.1295509338379,0.61169707775116,0.059483990073204
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%2C1H3,19.44407081604,0.200327754020691,0.674104034900665,373.563049316406,34.6139297485352,0.529053509235382,0.0294138453900814
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%2C1-3H3,28.0657253265381,0.198774933815002,0.150028884410858,548.558410644531,42.0502738952637,0.73864358663559,0.0358224399387836
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%29,20.7445182800293,0.142971158027649,0.113861337304115,613.997253417969,43.0394821166992,0.487751185894012,0.0269697401672602
InChI%3D1S%2FC8H10O%2Fc1-6-3-4-8%289%295-7%286%292%2Fh3-5%2C9H%2C1-2H3,10.9320697784424,0.335458278656006,7.36165571212769,267.629302978516,21.5499305725098,0.715818464756012,0.0406124927103519
InChI%3D1S%2FC13H11N3%2Fc14-10-3-1-8-5-9-2-4-11%2815%297-13%289%2916-12%288%296-10%2Fh1-7H%2C14-15H2,12.0252771377563,0.110724419355392,3.31410717964172,396.076263427734,33.5147247314453,0.626788020133972,0.0511359348893166
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%29,17.50927734375,0.264469027519226,0.748547494411469,388.089538574219,30.0287227630615,0.596844375133514,0.0356638357043266
InChI%3D1S%2FC8H14O4%2Fc1-5-4-8%2811-6%282%299%2912-7%283%2910-5%2Fh5%2C7-8H%2C4H2%2C1-3H3,22.0108985900879,0.204412758350372,1.87712359428406,358.814605712891,26.6231021881104,0.819517254829407,0.035785648971796
InChI%3D1S%2FC7H16N%2Fc1-8%282%296-4-3-5-7-8%2Fh3-7H2%2C1-2H3,20.131311416626,0.0744587928056717,1.05254864692688,349.055541992188,24.0886878967285,0.878910422325134,0.0302427839487791
InChI%3D1S%2FC2H2Cl4%2Fc3-1%284%292%285%296%2Fh1-2H,3.86641407012939,0.354643374681473,0.0,272.488403320312,13.5735864639282,0.143697962164879,0.0117880180478096
InChI%3D1S%2FC5H10N2O2S%2Fc1-4%2810-3%297-9-5%288%296-2%2Fh1-3H3%2C%28H%2C6%2C8%29,16.448070526123,0.305621832609177,2.65274477005005,304.947387695312,22.1719303131104,0.624018549919128,0.0404749810695648
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%2C1-3H3,28.3665542602539,0.112210899591446,1.69047009944916,625.042724609375,46.3934478759766,0.587579607963562,0.0320028178393841
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%2C1-2H3,27.0609321594238,0.138510793447495,0.0261358674615622,783.309631347656,59.2550659179688,0.411238044500351,0.0263525694608688
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%2C1-2H3,27.094898223877,0.144377589225769,1.00798666477203,502.228668212891,42.071102142334,0.739699602127075,0.0490005351603031
InChI%3D1S%2FC11H23NOS%2Fc1-6-14-11%2813%2912%287-9%282%293%298-10%284%295%2Fh9-10H%2C6-8H2%2C1-5H3,22.977725982666,0.149167090654373,5.70879507064819,395.275146484375,34.0022735595703,0.841251969337463,0.0484775044023991
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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%29,33.4753456115723,0.163326501846313,2.70688199996948,864.306701660156,65.7446517944336,0.506707668304443,0.0409227646887302
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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%2C1-4H3,37.8150024414062,0.0994701981544495,0.0375384427607059,589.671447753906,55.6629981994629,0.757859289646149,0.0227896831929684
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%2C1-7H3,41.9590377807617,0.180373340845108,0.640992283821106,595.992614746094,58.516960144043,0.866670787334442,0.0301252603530884
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%29,16.0432777404785,0.276717275381088,1.75788176059723,402.347686767578,28.3567237854004,0.576237916946411,0.0328027941286564
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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%29,26.3548622131348,0.160280674695969,0.0252030566334724,468.698028564453,47.9651374816895,0.404345095157623,0.0633297935128212
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%29,45.4814872741699,0.0743748992681503,3.34659123420715,682.9189453125,66.7185134887695,0.809993088245392,0.0547437928617001
InChI%3D1S%2FC6H11NO%2Fc8-6-4-2-1-3-5-7-6%2Fh1-5H2%2C%28H%2C7%2C8%29,13.3452768325806,0.294441163539886,10.6823720932007,242.467132568359,19.7967224121094,0.760520219802856,0.0494300350546837
InChI%3D1S%2FC7H7Cl3NO3PS%2Fc1-12-15%2816%2C13-2%2914-7-5%289%293-4%288%296%2810%2911-7%2Fh3H%2C1-2H3,22.3204498291016,0.208002269268036,0.183335930109024,422.548095703125,33.5635528564453,0.506366193294525,0.0280364565551281
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%2C1-2H3,27.7584838867188,0.145843312144279,0.353166311979294,527.215515136719,42.5415153503418,0.455879926681519,0.0380657166242599
InChI%3D1S%2FC6H10O4S2%2Fc1-5-6%282%2912%289%2C10%294-3-11%285%2C7%298%2Fh3-4H2%2C1-2H3,23.884069442749,0.185918897390366,0.0373812131583691,209.024688720703,26.2359294891357,0.536595523357391,0.0191975776106119
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%29,16.7744846343994,0.239617377519608,0.85906332731247,438.778686523438,30.4855155944824,0.619051218032837,0.0386457405984402
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%2C1-2H3,23.1293125152588,0.254628509283066,0.856826364994049,525.035095214844,38.7706871032715,0.615771293640137,0.0258158799260855
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InChI%3D1S%2FC9H21O2PS3%2Fc1-6-10-12%2813%2C11-7-2%2915-8-14-9%283%2C4%295%2Fh6-8H2%2C1-5H3,35.4093475341797,0.202039510011673,0.0890401378273964,550.258483886719,43.7766532897949,0.771885812282562,0.0220382288098335
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%2C1-2H3,31.6229686737061,0.174224615097046,0.0328747741878033,660.263916015625,54.6950302124023,0.619676113128662,0.021852795034647
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