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

SMILES,ATSc5,VPC-4,THSA,ALogP,apol,bpol,XLogP,RNCS,RPSA,AMR,RPCS,khs.sOH,RHSA,nAtomP,ATSc3,FPSA-2,TPSA,FPSA-3
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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%2C1-5H3,0.0401171967387199,2.04905915260315,614.135864257812,0.80680000782013,45.1506538391113,26.1293468475342,6.89300012588501,0.944499492645264,0.00657462561503053,46.3053016662598,0.430143386125565,0.0,0.993425369262695,13.0,-0.0852529183030128,0.765842735767365,4.06443548202515,0.0196191687136889
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InChI%3D1S%2FC12H27OPS3%2Fc1-4-7-10-15-14%2813%2C16-11-8-5-2%2917-12-9-6-3%2Fh4-12H2%2C1-3H3,-0.00128925079479814,4.35928630828857,605.504333496094,0.0366000011563301,52.2554092407227,37.95458984375,5.35799980163574,7.72954368591309,0.0445863045752048,79.6408996582031,0.155428469181061,0.0,0.955413699150085,1.0,0.112704828381538,0.743040978908539,28.257080078125,0.0205600280314684
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,-0.0288161039352417,2.16883587837219,572.718566894531,2.1800000667572,45.0606880187988,23.5173110961914,3.16400003433228,0.580274045467377,0.0710388123989105,43.9244995117188,1.93660056591034,0.0,0.928961157798767,6.0,-0.0708353221416473,0.942114531993866,43.796501159668,0.0381659343838692
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%2C1-2H3,0.0727815330028534,1.84633195400238,455.172943115234,1.91219997406006,41.876895904541,24.5631046295166,3.64100003242493,3.22568249702454,0.168330132961273,27.5622005462646,0.0,1.0,0.831669867038727,7.0,0.294927299022675,0.973957180976868,92.1270904541016,0.0320662334561348
InChI%3D1S%2FC8H8Cl2O2%2Fc1-11-7-3-6%2810%298%2812-2%294-5%287%299%2Fh3-4H%2C1-2H3,-0.0165000986307859,0.86472499370575,373.202453613281,1.38499999046326,25.3783435821533,13.4176559448242,2.09999990463257,4.76457166671753,0.0647990927100182,25.8628005981445,0.555973589420319,0.0,0.935200929641724,8.0,-0.0830338448286057,0.525779068470001,25.8588085174561,0.0321433916687965
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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,-0.0031671361066401,2.87041640281677,574.632263183594,4.00139999389648,41.5647583007812,9.07924175262451,3.76799988746643,2.32121801376343,0.12668651342392,43.4238014221191,2.74906206130981,2.0,0.87331348657608,7.0,-0.123784475028515,0.545545101165771,83.3585586547852,0.0338884592056274
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%2C3-4H2,0.00565024605020881,5.94472932815552,442.177795410156,2.72370004653931,37.9251365661621,17.6948623657227,2.76999998092651,5.37108373641968,0.147286430001259,77.7978973388672,0.0,0.0,0.852713584899902,5.0,-0.0395347066223621,0.562516391277313,76.3759307861328,0.0226216930896044
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%29,0.288877040147781,2.15444278717041,498.687835693359,-0.344700008630753,55.7060317993164,35.2959671020508,1.27499997615814,3.43920850753784,0.244052171707153,68.5260009765625,0.365451097488403,1.0,0.755947828292847,10.0,-0.156698942184448,1.46603989601135,160.997680664062,0.0359933637082577
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%29,0.000318187871016562,2.21879625320435,346.53857421875,-0.300300002098083,34.0294799804688,23.4725189208984,1.00399994850159,4.67817163467407,0.1672632843256,56.019401550293,0.533742189407349,1.0,0.832736730575562,3.0,0.146929457783699,0.996821522712708,69.6056518554688,0.0340575613081455
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,-0.187968418002129,1.17084240913391,479.820251464844,0.334800004959106,42.0502738952637,28.0657253265381,1.58599996566772,8.3942174911499,0.20548640191555,48.540699005127,0.150028884410858,0.0,0.794513583183289,13.0,-0.0197418667376041,1.27439272403717,124.096733093262,0.0386424735188484
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%2C1H3,0.0812560245394707,1.81182384490967,546.486145019531,2.60640001296997,47.0775146484375,22.8424835205078,6.03599977493286,0.0,0.0365831479430199,36.2949981689453,0.0,0.0,0.963416874408722,13.0,0.00249426579102874,0.682992577552795,20.7513313293457,0.0193027090281248
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,-0.0233610067516565,1.29027354717255,499.378082275391,1.28649997711182,38.5442733764648,22.9137268066406,3.07800006866455,4.13829708099365,0.0368314422667027,43.2781982421875,0.538218200206757,0.0,0.963168561458588,10.0,-0.0269907116889954,0.705827653408051,19.096155166626,0.0291043408215046
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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,-0.0898498147726059,1.55952775478363,540.136413574219,2.03340005874634,45.0598602294922,27.1381397247314,2.6029999256134,0.336160928010941,0.0836835354566574,37.8013000488281,0.0,0.0,0.916316449642181,7.0,-0.0522603280842304,1.13248670101166,49.3285102844238,0.0355500504374504
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%2C1-3H3,0.138438448309898,1.01732325553894,648.127624511719,0.353300005197525,48.6570663452148,27.4769325256348,5.42199993133545,1.1612594127655,0.106104664504528,37.7406997680664,0.230288937687874,0.0,0.893895328044891,12.0,-0.0429460406303406,1.26032519340515,76.9322280883789,0.0396032445132732
InChI%3D1S%2FC10H10O4%2Fc1-13-9%2811%297-3-5-8%286-4-7%2910%2812%2914-2%2Fh3-6H%2C1-2H3,0.0308634322136641,0.50809121131897,327.000091552734,0.0223999992012978,27.4759292602539,16.6800708770752,1.91199994087219,5.02672290802002,0.285793840885162,23.9768009185791,1.22829222679138,0.0,0.714206159114838,12.0,0.175848066806793,0.87238472700119,130.851028442383,0.039303932338953
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%2C1H3,0.00946060102432966,1.55535352230072,553.526672363281,0.499099999666214,47.1046524047852,25.7773475646973,3.43899989128113,2.94716501235962,0.0746235772967339,39.8827018737793,0.348465204238892,1.0,0.925376415252686,6.0,-0.0120442733168602,1.12854313850403,44.6371231079102,0.0386343561112881
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,-0.000274349440587685,6.48212814331055,488.821105957031,0.873000025749207,71.3177185058594,44.686279296875,8.26299953460693,7.08723735809326,0.21796053647995,102.640800476074,0.705514132976532,2.0,0.78203946352005,3.0,-0.0112868472933769,1.46675562858582,136.23828125,0.0362597666680813
InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2,0.0,0.0,324.193969726562,1.07290005683899,7.45358610153198,3.0264139175415,1.51900005340576,40.5810012817383,0.0,16.4382991790771,26.362642288208,0.0,1.0,0.0,0.0174320582300425,0.129197433590889,0.0,0.0443972088396549
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%2C1H3,0.018523883074522,1.6135162115097,645.713134765625,-0.627399981021881,56.1302757263184,26.7457256317139,7.47100019454956,2.54863405227661,0.159520298242569,26.6888999938965,0.805785894393921,0.0,0.840479731559753,13.0,0.0323413945734501,1.22955429553986,122.554244995117,0.0404745452105999
InChI%3D1S%2FC8H6Cl2O3%2Fc1-13-7-5%2810%293-2-4%289%296%287%298%2811%2912%2Fh2-3H%2C1H3%2C%28H%2C11%2C12%29,0.160066336393356,0.953509449958801,311.061065673828,1.19700002670288,24.8467578887939,10.2732419967651,1.78100001811981,2.67050671577454,0.257325112819672,25.766300201416,0.443143755197525,1.0,0.742674887180328,10.0,-0.0102968225255609,0.557899057865143,107.777755737305,0.0362736769020557
InChI%3D1S%2FC6H12N2S4%2Fc1-7%282%295%289%2911-12-6%2810%298%283%294%2Fh1-4H3,-0.070487879216671,2.79835605621338,443.857208251953,3.15580010414124,32.361515045166,21.6384830474854,1.54799997806549,0.757293701171875,0.00829148758202791,69.2407989501953,0.942628502845764,0.0,0.991708517074585,3.0,0.0841490626335144,0.383398413658142,3.71100640296936,0.0236091185361147
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,-0.101204931735992,1.78220582008362,520.155700683594,1.12249994277954,41.7276878356934,25.5923118591309,5.04899978637695,0.0,0.000362628896255046,45.494800567627,0.0523181706666946,0.0,0.999637365341187,13.0,-0.00504271406680346,0.677162051200867,0.188691914081573,0.0156639758497477
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%29,0.142923846840858,0.887323915958405,484.551513671875,1.89040005207062,32.781135559082,14.3988628387451,3.24499988555908,1.80001938343048,0.0775441378355026,38.875301361084,2.35872626304626,0.0,0.922455847263336,10.0,0.322831213474274,0.64339679479599,40.7327117919922,0.0410077385604382
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,-0.0970555245876312,0.419836312532425,394.682159423828,0.516099989414215,29.94313621521,15.4188632965088,3.0,4.44182443618774,0.169990539550781,18.7709999084473,5.73105955123901,1.0,0.830009460449219,15.0,0.0931658074259758,0.807570397853851,80.8330917358398,0.0525894835591316
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,-0.0484181232750416,0.610434114933014,373.28369140625,-1.03740000724792,27.2959308624268,18.0040702819824,-0.0579999983310699,8.22414779663086,0.186600655317307,25.2938003540039,0.657947182655334,1.0,0.813399314880371,13.0,0.0591525845229626,0.754900693893433,85.6344223022461,0.0481382124125957
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,-0.0710160285234451,1.99808990955353,897.481323242188,3.05649995803833,65.7446517944336,33.4753456115723,10.9490003585815,0.651797473430634,0.0512352809309959,74.0213012695312,2.42438006401062,0.0,0.948764741420746,22.0,0.146192640066147,1.24597251415253,48.4658737182617,0.0344924256205559
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%29,0.262337148189545,1.27205157279968,458.053070068359,0.912500023841858,41.6143074035645,22.2476902008057,2.7960000038147,4.55095148086548,0.234594851732254,54.2566986083984,0.649819850921631,1.0,0.765405118465424,15.0,0.419425576925278,0.926523387432098,140.392181396484,0.0355296544730663
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%2C1-4H3,0.0354279801249504,1.03025674819946,625.157409667969,-2.28920006752014,69.9333038330078,51.6626930236816,7.35599994659424,0.0274716839194298,0.124545335769653,92.5029983520508,0.448582649230957,0.0,0.875454664230347,3.0,0.124197535216808,1.62245762348175,88.9371490478516,0.0260527487844229
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%2C1-3H3,0.0213385242968798,1.07702970504761,458.057098388672,0.475199997425079,42.8598594665527,27.1381397247314,3.94099998474121,3.54500365257263,0.0869140326976776,49.869800567627,0.0,,0.9130859375,9.0,0.101935885846615,0.98857295513153,43.6011428833008,0.0306766927242279
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%2C1-5H3,0.142609372735023,1.69068372249603,596.160034179688,1.60730004310608,50.4982376098633,33.6617622375488,4.07999992370605,0.126817852258682,0.0596974901854992,62.8655014038086,2.47084355354309,0.0,0.94030249118805,12.0,0.364036232233047,1.10093522071838,37.8487319946289,0.0340720862150192
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%2C2H3,0.199660316109657,1.50785207748413,436.881408691406,2.1431999206543,34.9871368408203,16.4908638000488,2.87299990653992,1.97327649593353,0.169454917311668,43.1482009887695,2.03149962425232,0.0,0.83054506778717,12.0,0.230249717831612,0.61125248670578,89.1362762451172,0.0265687722712755
InChI%3D1S%2FC12H14N2%2Fc1-13-7-3-11%284-8-13%2912-5-9-14%282%2910-6-12%2Fh3-10H%2C1-2H3,0.0414571054279804,1.33956229686737,453.857482910156,1.37639999389648,37.989444732666,28.0105533599854,-0.225999996066093,2.85249042510986,0.0283122714608908,61.7238006591797,1.00361227989197,0.0,0.971687734127045,2.0,-0.022059790790081,0.781725704669952,13.2241411209106,0.0340317003428936
InChI%3D1S%2FC6H6ClN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,-0.0298122633248568,0.329329013824463,328.918426513672,-0.00559999980032444,17.8407573699951,6.31924200057983,1.86199998855591,10.9352178573608,0.0608033835887909,9.83769989013672,6.30231332778931,,0.939196586608887,7.0,-0.00337254512123764,0.34376448392868,21.2941074371338,0.0468066595494747
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%29,0.0774869248270988,0.624083042144775,547.095397949219,1.68270003795624,44.236686706543,23.9633121490479,5.67000007629395,3.84061670303345,0.244688019156456,30.8542003631592,0.719074428081512,2.0,0.755311965942383,20.0,0.41186597943306,1.32389807701111,177.234954833984,0.0523331053555012
InChI%3D1S%2FC7H17O2PS3%2Fc1-4-8-10%2811%2C9-5-2%2913-7-12-6-3%2Fh4-7H2%2C1-3H3,0.125257968902588,3.29203581809998,527.472473144531,3.01279997825623,37.5894813537598,31.0365180969238,3.80900001525879,2.83872699737549,0.0321987792849541,67.4418029785156,0.144439846277237,0.0,0.967801213264465,4.0,0.207857683300972,0.753331780433655,17.5490264892578,0.0229679755866528
InChI%3D1S%2FC10H6Cl4O4%2Fc1-17-9%2815%293-5%2811%297%2813%294%2810%2816%2918-2%298%2814%296%283%2912%2Fh1-2H3,-0.00323764956556261,2.17047929763794,468.878479003906,2.99959993362427,33.5287590026855,13.9872417449951,2.2960000038147,3.10408663749695,0.216916725039482,46.4392013549805,0.940400838851929,0.0,0.783083260059357,12.0,0.209316372871399,0.716924905776978,129.880935668945,0.0325629003345966
InChI%3D1S%2FC7H7NO2%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4H%2C8H2%2C%28H%2C9%2C10%29,0.046682670712471,0.373803436756134,223.617614746094,-0.989700019359589,19.6915512084961,7.95044898986816,1.64300000667572,8.15443325042725,0.340888977050781,11.4413995742798,2.48483514785767,1.0,0.659111022949219,10.0,0.0159692261368036,0.622466444969177,115.653930664062,0.0605681352317333
InChI%3D1S%2FCCl2F2%2Fc2-1%283%2C4%295,0.0,0.0,272.470520019531,3.01099991798401,7.23400020599365,3.24600005149841,2.58999991416931,18.1401920318604,0.23177906870842,17.5790004730225,82.206771850586,0.0,0.768220901489258,0.0,0.0760045647621155,0.106978215277195,82.206771850586,0.106978215277195
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%2C3H2,0.0828616917133331,9.48432064056396,514.855285644531,3.06080007553101,39.5343437194824,11.2656564712524,4.1560001373291,7.02970314025879,0.0154555793851614,78.0286026000977,1.7153844833374,0.0,0.984544396400452,2.0,-0.103815689682961,0.406882464885712,8.08230304718018,0.0187482293695211
InChI%3D1S%2FC6H4Cl2N2O2%2Fc7-4-1-3%2810%2811%2912%292-5%288%296%284%299%2Fh1-2H%2C9H2,-0.0900984555482864,0.94173264503479,344.570129394531,0.692099988460541,21.3911724090576,5.80882787704468,1.84500002861023,6.55878019332886,0.0495563931763172,18.3390998840332,1.05066609382629,0.0,0.950443625450134,10.0,-0.038517564535141,0.234172791242599,17.9659824371338,0.0279187709093094
InChI%3D1S%2FC10H23O2PS2%2Fc1-6-9%284%2914-13%2811%2C12-8-3%2915-10%285%297-2%2Fh9-10H%2C6-8H2%2C1-5H3,-0.0204157624393702,3.26287221908569,486.887756347656,0.898800015449524,43.9702377319336,35.4977607727051,3.22099995613098,2.93743181228638,0.0848048850893974,70.0996017456055,0.190999314188957,0.0,0.915195107460022,3.0,0.20266580581665,0.836426258087158,45.1165657043457,0.0222966242581606
InChI%3D1S%2FCHBr2Cl%2Fc2-1%283%294%2Fh1H,0.0,0.0,236.634582519531,2.02480006217957,10.7067928314209,4.09320688247681,2.75,26.8186893463135,0.00238648476079106,26.9811992645264,0.399753630161285,0.0,0.997613489627838,0.0,0.0278795715421438,0.0347111262381077,0.56607574224472,0.010512113571167
InChI%3D1S%2FC12H21N2O3PS%2Fc1-6-15-18%2819%2C16-7-2%2917-11-8-10%285%2913-12%2814-11%299%283%294%2Fh8-9H%2C6-7H2%2C1-5H3,0.216204479336739,1.90711963176727,623.791137695312,2.5181999206543,46.2586517333984,37.6853485107422,4.2960000038147,1.55088555812836,0.0532952658832073,58.980899810791,0.639745950698853,0.0,0.946704745292664,11.0,0.441913247108459,1.21036505699158,35.1166648864746,0.0263892821967602
InChI%3D1S%2FC7H16N%2Fc1-8%282%296-4-3-5-7-8%2Fh3-7H2%2C1-2H3,0.000423653342295438,,349.055541992188,,24.0886878967285,20.131311416626,,0.0,0.0,,1.05254864692688,0.0,1.0,0.0,0.0183147843927145,0.489912241697311,0.0,0.0302427839487791
InChI%3D1S%2FC6H10O%2Fc7-6-4-2-1-3-5-6%2Fh1-5H2,-0.000287080794805661,0.144337564706802,281.489440917969,-1.05820000171661,18.0299301147461,11.8900699615479,0.9200000166893,32.2339935302734,0.145350441336632,23.17919921875,9.42571640014648,0.0,0.854649543762207,2.0,-0.0319590643048286,0.352627694606781,47.8729705810547,0.033381711691618
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,-0.0190696455538273,2.42541885375977,432.769958496094,0.479699999094009,43.0394821166992,20.7445182800293,3.97199988365173,12.2223453521729,0.225528195500374,48.8604011535645,3.0679304599762,2.0,0.774471819400787,10.0,-0.0744848176836967,0.902429044246674,126.023735046387,0.0401538498699665
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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,-0.0495977886021137,2.27008318901062,859.8232421875,1.8532999753952,57.0618591308594,27.494140625,7.31300020217896,3.98491501808167,0.0775409638881683,54.2809982299805,0.0880005210638046,0.0,0.922459065914154,13.0,0.0712190046906471,0.889205276966095,72.2758560180664,0.0331290625035763
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InChI%3D1S%2FC8H14O4%2Fc1-5-4-8%2811-6%282%299%2912-7%283%2910-5%2Fh5%2C7-8H%2C4H2%2C1-3H3,0.194190248847008,0.464261829853058,358.814605712891,-0.0710000023245811,26.6231021881104,22.0108985900879,1.24000000953674,2.47150826454163,0.172065168619156,38.7957992553711,1.87712359428406,0.0,0.827934861183167,3.0,0.249255999922752,1.04489994049072,74.5704803466797,0.035785648971796
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InChI%3D1S%2FC6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299,0.0,2.77899146080017,369.117736816406,4.4657998085022,23.6399993896484,2.51999998092651,3.37199997901917,9.38847541809082,0.0,33.6935997009277,0.74952620267868,0.0,1.0,6.0,-0.149364098906517,0.0646558403968811,0.0,0.0107759730890393
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%29,0.000479903683299199,0.570337891578674,366.065521240234,0.235200002789497,31.1587238311768,15.2612771987915,4.6729998588562,11.4635887145996,0.189323753118515,15.2441997528076,0.82706218957901,1.0,0.810676217079163,14.0,0.212136849761009,0.768179535865784,85.4902267456055,0.0428197979927063
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%2C1-3H3,0.0627700984477997,3.09238886833191,659.695129394531,3.1356999874115,60.6044464111328,30.9535541534424,9.5659999847412,0.291471242904663,0.04640032351017,59.0013999938965,0.0,0.0,0.95359969139099,12.0,0.0272545516490936,1.11257302761078,32.0994911193848,0.0271681901067495
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,-0.0756509229540825,2.72970271110535,343.509948730469,-0.017000000923872,36.9111709594727,12.1688280105591,1.3400000333786,7.82612085342407,0.406558007001877,54.2957992553711,3.52624320983887,0.0,0.593442022800446,12.0,-0.141341090202332,0.584527015686035,235.333389282227,0.0448263064026833
InChI%3D1S%2FC13H11N3%2Fc14-10-3-1-8-5-9-2-4-11%2815%297-13%289%2916-12%288%296-10%2Fh1-7H%2C14-15H2,0.0640757754445076,0.835825800895691,395.721221923828,-1.49979996681213,33.5147247314453,12.0252771377563,2.17400002479553,5.51450204849243,0.158462285995483,8.44419956207275,3.29696083068848,0.0,0.841537714004517,16.0,-0.0142110912129283,0.69786536693573,74.5146484375,0.050516851246357
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,-0.117897219955921,0.777153849601746,410.003173828125,0.311599999666214,30.0287227630615,17.50927734375,2.16700005531311,4.1505126953125,0.132510498166084,31.55419921875,0.748547494411469,0.0,0.867489516735077,11.0,-0.00106651126407087,0.667944252490997,62.6286811828613,0.0352866090834141
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,-0.0130257392302155,1.52401638031006,547.209594726562,0.273200005292892,37.7413101196289,21.1786918640137,3.23200011253357,1.46955287456512,0.151767283678055,43.2212982177734,0.0,0.0,0.848232746124268,10.0,-0.110788330435753,0.878544330596924,97.9076995849609,0.0399186946451664
InChI%3D1S%2FC5H10N2O2S%2Fc1-4%2810-3%297-9-5%288%296-2%2Fh1-3H3%2C%28H%2C6%2C8%29,-0.0830821320414543,0.444746911525726,292.575042724609,0.972699999809265,22.1719303131104,16.448070526123,1.63300001621246,11.1151247024536,0.232493728399277,40.3573989868164,2.82574987411499,1.0,0.767506301403046,6.0,0.0902719870209694,0.620227575302124,88.6271133422852,0.0426542013883591
InChI%3D1S%2FC6H5Cl%2Fc7-6-4-2-1-3-5-6%2Fh1-5H,-2.07226748898393e-05,0.218217894434929,281.680511474609,0.744300007820129,16.0739650726318,5.88603496551514,3.1029999256134,23.8549060821533,0.0,5.61560010910034,0.920625567436218,,1.0,6.0,-0.00663653016090393,0.188867583870888,0.0,0.0308095030486584
InChI%3D1S%2FC9H19NOS%2Fc1-4-7-10%288-5-2%299%2811%2912-6-3%2Fh4-8H2%2C1-3H3,-0.00612780265510082,0.577858865261078,442.026885986328,0.376700013875961,33.3110656738281,25.9889335632324,2.28800010681152,7.02163124084473,0.0579503290355206,52.271598815918,1.28456366062164,0.0,0.94204968214035,3.0,0.14406281709671,0.682842552661896,27.1913509368896,0.0245602037757635
InChI%3D1S%2FC8H8%2Fc1-2-8-6-4-3-5-7-8%2Fh2-7H%2C1H2,-2.49632171289704e-06,0.179152488708496,356.748992919922,0.707499980926514,19.4143447875977,8.74565601348877,4.9539999961853,4.93143606185913,0.0,10.1471996307373,1.80908608436584,0.0,1.0,8.0,-0.000279504369245842,0.268497496843338,0.0,0.0333030298352242
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%29,0.786065697669983,1.22102105617523,529.171691894531,-0.58050000667572,53.0762748718262,37.4797248840332,2.59200000762939,3.86243271827698,0.250943809747696,50.951301574707,0.207237794995308,1.0,0.749056220054626,15.0,0.594221770763397,2.03397083282471,177.279571533203,0.0501334853470325
InChI%3D1S%2FCHN%2Fc1-2%2Fh1H,0.0,0.0,128.498992919922,0.567499995231628,3.52679300308228,1.7532069683075,-0.35699999332428,113.09733581543,0.468125224113464,7.0145001411438,32.6617317199707,0.0,0.531874775886536,1.0,0.0,0.141571313142776,113.09733581543,0.0674133151769638
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%2C1H3,0.0191461406648159,1.56492567062378,655.3134765625,0.661700010299683,49.6666526794434,29.6093463897705,3.16300010681152,0.724558651447296,0.0557113066315651,44.2122001647949,0.0,0.0,0.944288671016693,6.0,-0.0525560714304447,1.09085297584534,38.662296295166,0.0316289812326431
InChI%3D1S%2FC5H12NO3PS2%2Fc1-6-5%287%294-12-10%2811%2C8-2%299-3%2Fh4H2%2C1-3H3%2C%28H%2C6%2C7%29,-0.135061085224152,4.25147008895874,372.420562744141,1.04579997062683,29.7375164031982,24.6104831695557,1.48300004005432,8.14861679077148,0.20387701690197,55.2911987304688,4.62319755554199,1.0,0.796122968196869,4.0,0.239044800400734,1.11987149715424,95.3721923828125,0.0548747256398201
InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H,-6.77500938763842e-05,0.491756230592728,362.033599853516,-0.460299998521805,28.5899295806885,10.9320697784424,5.06300020217896,10.4665689468384,0.147344574332237,2.56459999084473,9.28660869598389,,0.852655410766602,13.0,-0.0120746847242117,0.553406059741974,62.5618324279785,0.0535508915781975
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,-0.0673895701766014,1.10687875747681,410.100799560547,0.104999996721745,32.8611030578613,20.094898223877,3.40100002288818,3.82917809486389,0.14320033788681,29.2595996856689,0.594752609729767,0.0,0.85679966211319,6.0,-0.0849700421094894,0.857849478721619,68.5417785644531,0.0314394719898701
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%29,0.277004301548004,1.05442190170288,491.365936279297,1.16209995746613,44.2058944702148,23.2341041564941,4.73099994659424,6.70831060409546,0.197906941175461,23.3178997039795,1.09770691394806,1.0,0.802093088626862,8.0,0.37602636218071,1.13113987445831,121.238708496094,0.0498020127415657
InChI%3D1S%2FC4H10NO3PS%2Fc1-4%286%295-9%287%2C8-2%2910-3%2Fh1-3H3%2C%28H%2C5%2C6%2C7%29,0.11801590025425,1.01645171642303,348.442779541016,-0.0861999988555908,23.7439308166504,22.6060695648193,0.314999997615814,9.95345211029053,0.244554981589317,41.1959991455078,1.40122139453888,1.0,0.755445003509521,6.0,0.349547892808914,0.780183434486389,112.798965454102,0.0414673537015915
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%2C1-2H3,0.309784680604935,2.29267644882202,,2.5239999294281,62.8204803466797,37.1115188598633,5.29500007629395,,,67.4766006469727,,0.0,,22.0,0.592566967010498,,,
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,-0.0594425983726978,1.65993511676788,404.328704833984,0.0103000001981854,38.3207244873047,15.3192768096924,3.44099998474121,6.23467302322388,0.192936673760414,22.4715995788574,0.0787770226597786,1.0,0.807063341140747,12.0,-0.0323188751935959,0.690321922302246,96.6588821411133,0.0326866135001183
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,-0.1153434664011,2.65281128883362,553.92041015625,2.20560002326965,60.5060653686523,30.2499332427979,7.07499980926514,1.98030734062195,0.204429134726524,59.9276008605957,0.0,0.0,0.795570850372314,13.0,-0.0699032321572304,1.05185043811798,142.334869384766,0.0321753323078156
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,-0.146463438868523,4.39034080505371,633.375793457031,0.549700021743774,57.2810325622559,43.5449676513672,4.96400022506714,0.925341546535492,0.136622712016106,76.3994979858398,2.47470498085022,0.0,0.863377273082733,10.0,0.210949286818504,1.22896695137024,100.226768493652,0.0340162739157677
InChI%3D1S%2FC9H13N%2Fc1-6-4-8%283%299%2810%295-7%286%292%2Fh4-5H%2C10H2%2C1-3H3,-1.71348910953384e-05,1.01162731647491,342.602905273438,1.17610001564026,25.6083087921143,13.5516910552979,2.73499989509583,8.63361835479736,0.0507572144269943,20.7283992767334,4.01597547531128,0.0,0.949242770671844,7.0,-0.00417235027998686,0.507749378681183,18.3194122314453,0.0379340387880802
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%2C1-2H3,0.0956336557865143,1.84699952602386,559.110229492188,1.00380003452301,42.5415153503418,27.7584838867188,2.59899997711182,4.75937604904175,0.18192233145237,55.470401763916,0.192636162042618,0.0,0.818077683448792,15.0,0.353869765996933,0.801548719406128,124.333724975586,0.0252092164009809
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,-0.301689743995667,3.22429609298706,442.457397460938,2.3024001121521,46.019100189209,24.424898147583,3.22199988365173,5.74168300628662,0.254420667886734,92.5983963012695,0.0,2.0,0.745579361915588,3.0,-0.0600395575165749,0.944447755813599,150.983673095703,0.0428955554962158
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,-0.13114607334137,9.08245372772217,419.361297607422,2.16599988937378,38.2267570495605,17.2892417907715,0.83899998664856,1.85583066940308,0.17059987783432,76.9888000488281,10.8311195373535,0.0,0.82940012216568,4.0,0.220078513026237,0.487398535013199,86.2587203979492,0.0446232184767723
InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2,0.0198230687528849,0.0,378.625305175781,1.51820003986359,12.3071718215942,5.21282815933228,2.09899997711182,36.1017227172852,0.0,25.2765998840332,11.6038112640381,0.0,1.0,2.0,0.0113530382514,0.179353967308998,0.0,0.0292602945119143
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,-0.251858621835709,13.1485500335693,715.488952636719,3.50559997558594,67.0950698852539,31.3809337615967,9.23200035095215,2.15004563331604,0.20398585498333,79.6128997802734,6.92658805847168,0.0,0.796014130115509,13.0,-0.0495384223759174,0.998994946479797,183.350540161133,0.0401735976338387
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,-0.0774587690830231,2.30971956253052,531.740356445312,0.834100008010864,48.3558616638184,28.1041393280029,4.46299982070923,1.42608892917633,0.0169341918081045,38.99169921875,0.866161823272705,0.0,0.983065783977509,13.0,-0.066886767745018,0.782561421394348,9.15970611572266,0.0342114642262459
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%2C2-6H3,0.122402802109718,2.7825973033905,752.96337890625,3.57159996032715,53.1826171875,32.2553825378418,3.71399998664856,0.103160195052624,0.0813763439655304,88.9957962036133,0.427334696054459,0.0,0.918623685836792,4.0,0.0511606745421886,0.935999870300293,66.7013168334961,0.0219923388212919
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%29,0.0215498246252537,0.483002573251724,440.420166015625,1.26569998264313,30.4855155944824,16.7744846343994,3.77900004386902,8.19230461120605,0.12820890545845,30.638599395752,0.904277205467224,1.0,0.871791064739227,10.0,0.184236958622932,0.737273216247559,64.7698669433594,0.0382182151079178
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%2C1-4H3,0.133488491177559,2.3090763092041,675.005798339844,2.28239989280701,61.1297912597656,37.5862083435059,7.11299991607666,4.38042068481445,0.0852804034948349,58.5063018798828,0.644406020641327,0.0,0.914719581604004,6.0,0.0696933344006538,1.23087191581726,62.9315986633301,0.0299303736537695
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,-0.131579399108887,1.00232315063477,288.891235351562,1.42659997940063,25.0331726074219,9.82682800292969,1.5110000371933,7.89043951034546,0.338276088237762,30.7338008880615,2.90505623817444,1.0,0.661723911762238,7.0,-0.156409874558449,0.438080191612244,147.682418823242,0.0437408275902271
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,-0.0399949289858341,3.44332981109619,549.842224121094,1.50440001487732,50.6206169128418,32.2553825378418,5.31500005722046,1.37388372421265,0.0236168373376131,54.8120994567871,0.0,0.0,0.97638314962387,6.0,-0.115665718913078,1.04170954227448,13.2996301651001,0.0299195647239685
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,-0.250842869281769,1.15230226516724,533.534484863281,0.581300020217896,48.5154457092285,30.2825546264648,4.11999988555908,3.0651638507843,0.120322786271572,59.1642990112305,0.0932283326983452,0.0,0.87967723608017,9.0,-0.067699022591114,1.10314738750458,72.977165222168,0.0252335984259844
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,-0.0151898646727204,1.76759231090546,476.590057373047,1.82400000095367,47.3514442443848,26.450553894043,3.71000003814697,2.93854689598083,0.105146914720535,43.2491989135742,1.95327210426331,1.0,0.894853115081787,10.0,-0.0141188502311707,1.12733364105225,56.0002212524414,0.0415894128382206
InChI%3D1S%2FC8H14N4OS%2Fc1-8%282%2C3%295-6%2813%2912%289%297%2814-4%2911-10-5%2Fh9H2%2C1-4H3,0.0521466694772243,1.90344846248627,353.192626953125,0.739300012588501,34.1842727661133,22.9157257080078,1.3860000371933,4.23571491241455,0.164296984672546,58.6533012390137,0.299733579158783,0.0,0.835703015327454,4.0,-0.0144954202696681,1.04346549510956,69.4367294311523,0.04134401679039
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,-0.122992776334286,1.25900554656982,577.36181640625,2.53629994392395,40.394100189209,23.4058971405029,4.17199993133545,0.0,0.0269770715385675,44.2360992431641,4.25969696044922,0.0,0.973022937774658,13.0,0.0293715000152588,0.734389662742615,16.0073642730713,0.0306961480528116
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%2C1-2H3,0.106704168021679,3.89029359817505,549.183837890625,3.40440011024475,46.1426887512207,30.3633117675781,5.39900016784668,2.01039361953735,0.077646940946579,63.0668983459473,4.90593862533569,,0.922353088855743,6.0,0.203071445226669,0.760925769805908,46.232234954834,0.031895786523819
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%2C6H2,0.0104201128706336,1.39697110652924,471.424560546875,1.24839997291565,40.3858947753906,23.0501041412354,1.77600002288818,0.749129354953766,0.0731764137744904,33.8045997619629,0.0,0.0,0.926823616027832,6.0,-0.0516536869108677,1.1783504486084,37.2208442687988,0.0440840125083923
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%29,0.265820056200027,1.34640765190125,333.1318359375,3.11640000343323,39.0327568054199,14.8512420654297,4.26200008392334,4.53283405303955,0.436017423868179,31.4750995635986,1.43773937225342,2.0,0.563982605934143,18.0,0.0375361107289791,0.845266878604889,257.545684814453,0.0528141222894192
InChI%3D1S%2FC2H3ClO2%2Fc3-1-2%284%295%2Fh1H2%2C%28H%2C4%2C5%29,0.0,0.0731925070285797,197.127548217773,0.302700012922287,9.3043794631958,4.65762090682983,0.157000005245209,16.8634986877441,0.443745195865631,17.396900177002,6.54721260070801,1.0,0.556254804134369,3.0,-0.104217812418938,0.390451192855835,157.255996704102,0.0762437582015991
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%29,0.0235239546746016,3.01424336433411,748.27490234375,-2.45230007171631,78.2738571166992,37.4561386108398,5.38899993896484,2.78871560096741,0.295811325311661,34.244800567627,0.0650341138243675,5.0,0.704188644886017,40.0,-0.173824295401573,1.93894028663635,314.330810546875,0.0651413202285767
InChI%3D1S%2FC9H12%2Fc1-8%282%299-6-4-3-5-7-9%2Fh3-8H%2C1-2H3,0.0,0.636894524097443,354.102752685547,0.572899997234344,23.841516494751,13.118483543396,5.46199989318848,1.72556531429291,0.0,14.2678003311157,1.69221341609955,,1.0,6.0,0.0,0.360976219177246,0.0,0.0305588394403458
InChI%3D1S%2FCClN%2Fc2-1-3,0.0,0.0,83.7758026123047,0.620500028133392,5.03999996185303,1.08000004291534,0.426999986171722,55.1910171508789,0.615090787410736,12.7918996810913,71.6714782714844,0.0,0.384909212589264,1.0,0.00706765288487077,0.0875321328639984,133.875015258789,0.0875321328639984
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%29,0.272687792778015,1.44807934761047,577.709350585938,-1.01960003376007,50.521068572998,36.6569328308105,1.93499994277954,0.985581457614899,0.190690025687218,62.36669921875,0.0,1.0,0.809309959411621,19.0,0.735654592514038,1.77164530754089,136.120178222656,0.0430388934910297
InChI%3D1S%2FC7H3Cl2N%2Fc8-6-2-1-3-7%289%295%286%294-10%2Fh1-3H,0.0899265930056572,0.75816535949707,341.866058349609,1.52330005168915,19.7803783416748,4.77962112426758,2.33599996566772,23.4209976196289,0.146853491663933,17.4298000335693,13.4508275985718,0.0,0.853146493434906,8.0,-0.0343776345252991,0.276016384363174,58.8459587097168,0.0431510992348194
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%2C1-5H3,0.36808717250824,2.28161263465881,660.016784667969,2.16310000419617,44.9318618774414,38.5721397399902,3.20300006866455,2.80641674995422,0.0672780498862267,59.0045013427734,0.238042205572128,0.0,0.932721972465515,12.0,0.616659641265869,1.23183441162109,47.6075897216797,0.0289480071514845
InChI%3D1S%2FC2H7O3P%2Fc1-2-5-6%283%294%2Fh6H%2C2H2%2C1H3%2C%28H%2C3%2C4%29,-0.0128082726150751,0.079056940972805,,0.24549999833107,14.2235507965088,18.0064487457275,-0.837999999523163,,,15.0614004135132,,1.0,,4.0,0.191814437508583,,,
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%29,0.232706338167191,0.662158608436584,440.596923828125,1.97880005836487,43.8631019592285,28.9768981933594,3.03800010681152,2.83466768264771,0.233602464199066,60.4314002990723,0.328177362680435,2.0,0.766397535800934,18.0,0.552729368209839,1.31773805618286,134.296524047852,0.0500415302813053
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,-0.00436390982940793,2.09694766998291,506.777252197266,2.5683000087738,48.8646545410156,25.7773475646973,3.80599999427795,2.96836423873901,0.106924578547478,48.8647994995117,2.10257816314697,1.0,0.893075406551361,10.0,-0.0167055539786816,1.04706346988678,60.6745452880859,0.0380672588944435
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%2C1-3H3,0.0954155623912811,2.77249002456665,512.104431152344,2.13529992103577,48.0286865234375,32.8733139038086,4.45699977874756,0.0602172613143921,0.150013849139214,62.7459983825684,1.5903205871582,0.0,0.849986135959625,14.0,0.290552258491516,1.18294525146484,90.3811798095703,0.031064510345459
InChI%3D1S%2FC7H8N2O2%2Fc1-5-2-3-6%289%2810%2911%294-7%285%298%2Fh2-4H%2C8H2%2C1H3,-0.0331898257136345,0.607304692268372,350.28857421875,-0.154499992728233,21.4583435058594,9.34165573120117,1.76499998569489,7.69291973114014,0.0501542687416077,12.6099996566772,1.15751731395721,0.0,0.949845731258392,10.0,-0.0135096162557602,0.410153090953827,18.4961261749268,0.0353012941777706
InChI%3D1S%2FC10H7Cl5O%2Fc11-7-1-6%282-8%2812%293-7%299%285-16-9%294-10%2813%2C14%2915%2Fh1-3H%2C4-5H2,0.0309538953006268,1.85770428180695,448.367095947266,2.46140003204346,33.9695510864258,11.6684494018555,4.5019998550415,10.2490272521973,0.0623553730547428,43.7160987854004,0.0,0.0,0.937644600868225,6.0,0.0265737194567919,0.311921298503876,29.8173713684082,0.018106946721673
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%29,0.175438866019249,2.24464058876038,660.803527832031,0.622699975967407,53.2410316467285,39.9429664611816,5.35500001907349,0.565136671066284,0.0530204363167286,66.8221969604492,0.397542506456375,0.0,0.946979582309723,14.0,0.281624794006348,1.40183460712433,36.9977264404297,0.0294707957655191
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,-0.117929123342037,0.73736035823822,408.242492675781,1.22819995880127,29.607723236084,18.9342765808105,4.20800018310547,5.59797763824463,0.136296153068542,28.8055000305176,0.0,1.0,0.863703846931458,10.0,0.25887194275856,0.704077839851379,64.4224090576172,0.033162284642458
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,-0.325225472450256,2.97250461578369,555.826049804688,2.80159997940063,40.7893104553223,28.9706916809082,4.18100023269653,0.154716908931732,0.00443796906620264,54.4082984924316,0.582071304321289,0.0,0.995562016963959,11.0,0.260472983121872,0.708230018615723,2.47773480415344,0.0227053333073854
InChI%3D1S%2FCCl3F%2Fc2-1%283%2C4%295,0.0,0.0,292.399993896484,3.29780006408691,8.85700035095215,2.46300005912781,2.72699999809265,20.6753559112549,0.204216197133064,22.2140007019043,75.0364837646484,0.0,0.795783817768097,0.0,0.0624099485576153,0.0851539671421051,75.0364837646484,0.0851539671421051
InChI%3D1S%2FC8H19O2PS2%2Fc1-4-7-12-11%289%2C10-6-3%2913-8-5-2%2Fh4-8H2%2C1-3H3,-0.00190092669799924,1.8405876159668,469.906188964844,0.920199990272522,37.7830657958984,31.1249332427979,2.62700009346008,0.278943717479706,0.0773926302790642,60.9308013916016,0.766156494617462,0.0,0.922607362270355,3.0,0.2088283598423,0.695856809616089,39.4179306030273,0.0234071705490351
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%29,0.444290906190872,4.62308788299561,948.371154785156,-1.67079997062683,110.226028442383,68.7759704589844,2.33299994468689,1.03089094161987,0.213354527950287,180.300003051758,0.127204969525337,6.0,0.786645472049713,8.0,-0.0931890979409218,3.42249393463135,257.217895507812,0.0395374670624733
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%2C1-3H3,0.0399617366492748,2.95671677589417,760.306396484375,5.05450010299683,46.938102722168,27.0198974609375,5.32800006866455,0.40118595957756,0.189039766788483,62.4914016723633,0.0,0.0,0.810960233211517,6.0,-0.0495937019586563,1.26500296592712,177.232040405273,0.0447333604097366
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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%2C1-3H3,0.00995975360274315,1.61959934234619,784.309509277344,0.223800003528595,55.8426170349121,34.2953834533691,4.64900016784668,3.3652241230011,0.0700971111655235,95.9421997070312,1.41128087043762,0.0,0.929902911186218,8.0,-0.0349220894277096,0.93776249885559,59.1221237182617,0.0237985271960497
InChI%3D1S%2FC10H15O3PS2%2Fc1-8-7-9%285-6-10%288%2916-4%2913-14%2815%2C11-2%2912-3%2Fh5-7H%2C1-4H3,0.0254746582359076,2.65207195281982,520.85009765625,2.33990001678467,39.4378967285156,30.7661056518555,4.07200002670288,4.55063819885254,0.0690577402710915,49.3852996826172,0.27024182677269,0.0,0.930942237377167,11.0,0.372155338525772,0.951083779335022,38.6369094848633,0.0345135852694511
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,-0.149617493152618,1.3594388961792,610.454162597656,1.24919998645782,49.8462753295898,28.4317264556885,2.91199994087219,0.892759680747986,0.0818679183721542,51.3554000854492,0.204789444804192,0.0,0.918132066726685,8.0,0.154723465442657,0.998012840747833,54.432918548584,0.0293093137443066
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,-0.294650375843048,1.48486232757568,606.482421875,0.591000020503998,46.8309288024902,25.929069519043,4.98600006103516,3.54033875465393,0.159418359398842,39.1697998046875,3.17392110824585,1.0,0.84058165550232,22.0,0.0898159146308899,0.979909539222717,115.020874023438,0.0394016169011593
InChI%3D1S%2FC5H7N3O2%2Fc1-4-6-3-5%287%284%292%298%289%2910%2Fh3H%2C1-2H3,-0.00497913500294089,0.681834280490875,305.578460693359,0.120200000703335,19.0383434295654,12.641655921936,0.726000010967255,2.16210627555847,0.0644560009241104,17.3791999816895,1.59854209423065,0.0,0.935544013977051,8.0,-0.0161879099905491,0.551267504692078,21.0533828735352,0.0381659530103207
InChI%3D1S%2FC2H7O3P%2Fc1-4-6%283%295-2%2Fh6H%2C1-2H3,0.0346191860735416,0.20412415266037,,0.24609999358654,14.2235507965088,19.9224491119385,-0.741999983787537,,,15.5367002487183,,0.0,,4.0,0.371464520692825,,,
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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,-0.0716839283704758,2.1981954574585,528.383728027344,2.57069993019104,48.7018585205078,28.8141403198242,4.80900001525879,1.14787149429321,0.104810059070587,62.442699432373,0.594131171703339,0.0,0.895189940929413,12.0,0.090534895658493,1.06882476806641,61.8638916015625,0.023786136880517
InChI%3D1S%2FC5H13ClN%2Fc1-7%282%2C3%295-4-6%2Fh4-5H2%2C1-3H3%2Fq%2B1,-0.0363313965499401,1.06066012382507,370.269592285156,-0.369500011205673,20.7483081817627,17.2716903686523,0.637000024318695,1.65246880054474,0.00757827935740352,32.1301002502441,0.0574454292654991,0.0,0.992421746253967,0.0,-0.0220172274857759,0.442802906036377,2.82743334770203,0.0278198234736919
InChI%3D1S%2FC2H3Cl3O2%2Fc3-2%284%2C5%291%286%297%2Fh1%2C6-7H,0.0,1.19230616092682,191.098114013672,0.89980000257492,13.664379119873,4.53962087631226,0.801999986171722,9.80192089080811,0.361416131258011,29.2457008361816,0.0,2.0,0.638583838939667,0.0,-0.170003339648247,0.282518416643143,108.154846191406,0.0490681864321232
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,-0.00951710809022188,1.36522090435028,350.324371337891,1.7331999540329,29.4535503387451,11.786449432373,2.54800009727478,0.461048513650894,0.248214825987816,34.9067001342773,0.323400378227234,1.0,0.751785159111023,7.0,-0.222968310117722,0.456105321645737,115.665618896484,0.0263435188680887
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%2C11H2,0.0237545687705278,2.27472257614136,,1.63359999656677,44.8623085021973,30.7776908874512,2.89199995994568,,,36.8516998291016,,0.0,,12.0,0.0073405560106039,,,
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,-0.0564643442630768,2.22246408462524,651.927612304688,1.96119999885559,60.2226181030273,33.2133827209473,7.22800016403198,2.10426211357117,0.0923363864421844,53.7517013549805,0.411811292171478,0.0,0.907663583755493,13.0,0.0472103096544743,1.12669348716736,66.320426940918,0.0297440495342016
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%2C1H3,0.145582869648933,1.04144847393036,582.106994628906,-3.47510004043579,53.0266189575195,31.2973823547363,3.19199991226196,4.90449666976929,0.208531528711319,51.9266014099121,0.773136794567108,3.0,0.791468441486359,11.0,0.0477639511227608,1.27472579479218,153.370178222656,0.0385257750749588
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,-0.00475095538422465,0.559204041957855,435.509338378906,-1.14709997177124,32.655101776123,15.3048982620239,3.25600004196167,7.06213712692261,0.0586330220103264,16.9465007781982,1.44422590732574,0.0,0.941366970539093,11.0,-0.0408144816756248,0.681082308292389,27.1256885528564,0.0461092814803123
InChI%3D1S%2FC9H13N%2Fc1-8%2810%297-9-5-3-2-4-6-9%2Fh2-6%2C8H%2C7%2C10H2%2C1H3,-1.14627691800706e-05,0.321975260972977,338.416839599609,-0.686600029468536,25.6083087921143,13.5516910552979,3.58200001716614,6.88931226730347,0.0438534989953041,18.3840999603271,3.74023604393005,0.0,0.956146478652954,6.0,-0.00479932874441147,0.56800389289856,15.5214309692383,0.0423152893781662
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,0.00487554026767612,12.5450944900513,,2.18950009346008,40.3363456726074,13.1816558837891,3.62100005149841,,,72.0134963989258,,0.0,,0.0,-0.0909023880958557,,,
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,-0.362901210784912,1.37785613536835,373.563049316406,1.27830004692078,34.6139297485352,19.44407081604,1.97800004482269,0.428652256727219,0.179052472114563,41.6958999633789,0.674104034900665,0.0,0.820947527885437,9.0,0.0919748544692993,0.730466723442078,81.4758377075195,0.0294138453900814
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,-0.019825579598546,0.669819056987762,481.919036865234,0.224199995398521,37.94189453125,19.6981048583984,4.17600011825562,1.9373300075531,0.0800090730190277,20.738899230957,1.51529228687286,0.0,0.91999089717865,13.0,0.13900962471962,0.739490151405334,41.9111709594727,0.0339282415807247
InChI%3D1S%2FC9H9ClO3%2Fc1-6%289%2811%2912%2913-8-4-2-3-7%2810%295-8%2Fh2-6H%2C1H3%2C%28H%2C11%2C12%29,0.0508269816637039,0.550152063369751,320.578186035156,0.244599997997284,26.4271373748779,13.1328630447388,2.35599994659424,1.72605586051941,0.240548580884933,23.675500869751,0.491895735263824,1.0,0.759451448917389,7.0,-0.1595179438591,0.585650742053986,101.539909362793,0.0345264449715614
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,-0.119575202465057,1.15266513824463,581.213623046875,0.0471000000834465,52.7684478759766,31.4915542602539,3.37700009346008,0.329721748828888,0.148182794451714,43.0363006591797,1.97476267814636,0.0,0.851817190647125,8.0,-0.0326111614704132,1.1144505739212,101.108383178711,0.0390784814953804
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%2C1H3,0.0357477962970734,0.696404218673706,729.265686035156,-0.113499999046326,57.6602401733398,32.0377616882324,8.25100040435791,1.590092420578,0.0381183736026287,48.2690010070801,1.01868069171906,0.0,0.961881637573242,15.0,0.0886669754981995,1.05202436447144,28.9000434875488,0.0277779065072536
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,-0.0294901002198458,1.96185719966888,375.851196289062,1.03680002689362,12.3071718215942,5.21282815933228,6.28900003433228,36.4689674377441,0.0,32.7839012145996,11.5423889160156,1.0,1.0,13.0,-0.037879217416048,0.179694667458534,0.0,0.029370503500104
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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%29,0.237439975142479,1.18415141105652,535.903198242188,0.0502999983727932,45.0078964233398,25.3321056365967,2.70199990272522,4.58824920654297,0.191429823637009,24.6895999908447,1.22050034999847,1.0,0.808570146560669,16.0,0.354556232690811,1.28525972366333,126.875633239746,0.0477666147053242
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InChI%3D1S%2FC10Cl12%2Fc11-1-2%2812%297%2817%294%2814%293%2813%2C5%281%2C15%299%287%2C19%2920%296%281%2C16%2910%2821%2C22%298%282%2C4%2918,0.196705862879753,23.7589130401611,473.56787109375,5.84999990463257,43.7599983215332,5.03999996185303,6.35799980163574,3.34200167655945,0.0,92.3588027954102,0.0,0.0,1.0,0.0,-0.126361042261124,0.0,0.0,0.0
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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,-0.0174932423979044,0.673308968544006,399.715118408203,0.321200013160706,28.3567237854004,16.0432777404785,1.91999995708466,6.97778272628784,0.10863795876503,26.9515991210938,1.45329833030701,0.0,0.891362071037292,10.0,0.208984345197678,0.571153581142426,48.7167167663574,0.0312297139316797
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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,-0.174929603934288,1.70890617370605,496.440460205078,3.03150010108948,48.9844818115234,32.3935203552246,5.3600001335144,2.20918369293213,0.297718703746796,66.2200012207031,5.51496505737305,0.0,0.702281296253204,11.0,0.00254835211671889,1.25816309452057,210.456420898438,0.0503319762647152
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,-0.429340958595276,2.09397912025452,566.508056640625,3.60209989547729,42.2583427429199,22.5016555786133,2.80999994277954,2.18876719474792,0.17296539247036,46.9574012756348,1.68268918991089,0.0,0.827034592628479,8.0,-0.115661896765232,0.818333566188812,118.479072570801,0.0398468673229218
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,-0.103420272469521,1.81168293952942,543.061828613281,1.51189994812012,35.7209281921387,18.31907081604,4.19199991226196,7.07131767272949,0.108138114213943,40.657299041748,0.0,0.0,0.891861855983734,9.0,0.052685309201479,0.705230951309204,65.8461608886719,0.0348901376128197
InChI%3D1S%2FC7H5NO3S%2Fc9-7-5-3-1-2-4-6%285%2912%2810%2C11%298-7%2Fh1-4H%2C%28H%2C8%2C9%29,0.0630336999893188,1.03281950950623,296.133453369141,-1.15299999713898,22.059965133667,13.262035369873,1.26800000667572,11.7994890213013,0.194534838199615,16.9179992675781,0.369884043931961,1.0,0.805465161800385,12.0,0.133370444178581,0.467052459716797,71.5217437744141,0.0483357645571232
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,0.0354204550385475,2.37673115730286,646.623291015625,3.14249992370605,41.5411376953125,11.9388628005981,7.01999998092651,8.82912158966064,0.0,35.7430992126465,0.0,0.0,1.0,6.0,0.00970741640776396,0.389825314283371,0.0,0.0244131200015545
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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,-0.245630100369453,1.55912888050079,606.163879394531,0.589399993419647,54.0422401428223,30.9557609558105,6.00799989700317,2.5814745426178,0.0979439839720726,44.2047996520996,0.478999435901642,0.0,0.902056038379669,9.0,0.0580585896968842,1.2664840221405,65.8164291381836,0.0385854169726372
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,-0.0712689980864525,1.26994800567627,532.514709472656,1.0958000421524,36.1203422546387,17.9776554107666,3.50699996948242,3.31360673904419,0.0942644998431206,21.2229995727539,10.1539974212646,0.0,0.905735492706299,16.0,0.096829928457737,0.457157969474792,55.421516418457,0.0415754429996014
InChI%3D1S%2FC4H7Br2Cl2O4P%2Fc1-10-13%289%2C11-2%2912-3%285%294%286%2C7%298%2Fh3H%2C1-2H3,-0.161739096045494,5.41833448410034,394.154174804688,2.87529993057251,29.0055503845215,25.2584495544434,2.26600003242493,4.18578910827637,0.163984954357147,58.2458992004395,1.01420485973358,0.0,0.836015045642853,5.0,0.540416538715363,0.599778831005096,77.3136215209961,0.024894542992115
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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%2C1H3,0.0372065231204033,1.98660695552826,580.2294921875,0.562399983406067,45.9476890563965,29.7903118133545,3.25999999046326,2.89256358146667,0.191402241587639,39.4444007873535,0.0,0.0,0.8085977435112,11.0,-0.0187641326338053,1.13133931159973,137.345458984375,0.0305841397494078
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