SMILES,TC,BULK,SHEAR,TG,PE,RG,RHO,YOUNG,RI,POISSON,DC,TD,DIF,VISC
*/C(=C(\c1ccccc1)c1ccc(*)cc1)c1ccccc1,0.338,,,,,21.58452348,,,,,,,,
*/C(Br)=C(/*)c1ccccc1,0.109,,,,,13.91453189,1.270345591,,,,,1.17E-07,,
*/C(C#N)=C(/*)c1ccccc1,0.109,3.156,2.569,,21.676621,14.966567,0.867776,6.062,1.50513,0.18,2.448177,1.21E-07,,
*/C(CC)=C(/*)c1ccccc1,0.112,,,,,16.03809308,0.775312095,,,,,1.15E-07,6.97E-08,0.022467158
*/C(CCCCCC)=C(/*)c1ccccc1,0.15,,,,,12.02499264,0.740265999,,,,,1.43E-07,1.87E-07,0.004875884
*/C(Cl)=C(/*)c1ccccc1,0.093,,,,19.171428,13.3587,0.8915,,1.456988,,2.165238,1.07E-07,1.41E-08,0.003651553
*/C(F)=C(\F)C(F)(C(*)(F)F)C(F)(F)F,0.102,,,,,,,,,,,,,
*/C(I)=C(/*)c1ccccc1,0.064,,,,,15.47308909,1.279179363,,,,,8.84E-08,,
*/C(OC)=C(\OC)c1ccc(*)cc1,0.233,3.592,2.165,,,17.19897143,1.019187881,5.408,,0.249,,1.90E-07,,
*/C([2H])=C(/*)[2H],,,,,21.940617,22.1817,0.859324,,1.541844,,2.477993,,,
*/C=C(/*)C#CCCCCCCCCCCCCCCCCCCCCC(=O)O,0.402,4.741,1.42,,,,,3.873,,0.364,,,,
*/C=C(/*)C#N,,,,,23.591036,22.011917,0.99863,,1.504042,,2.664393,,,
*/C=C(/*)C(=O)CC,,,,,19.159554,18.160267,0.860673,,1.411468,,2.163897,,,
*/C=C(/*)C(=O)c1ccccc1,,,,,,14.98312281,0.882929733,,,,,,,
*/C=C(/*)C(C)(C)CC,,,,,17.777226,18.601417,0.738625,,1.40102,,2.007776,,,
*/C=C(/*)C(C)=O,,,,,20.134246,17.975483,0.882812,,1.420735,,2.27398,,,
*/C=C(/*)C1(O)c2ccccc2-c2ccccc21,,,,,22.037389,13.637217,0.901805,,1.4898,,2.488923,,,
*/C=C(/*)CCCCCCCCCCCCCCCCCCCCC(=O)O,0.435,4.908,1.564,,,14.07855526,,4.241,,0.356,,,,
*/C=C(/*)CCCCCCCCCCOc1ccc(-c2ccc(C(=O)OC(C)CCCCCC)cc2)cc1,0.267,,,,,15.15289424,0.940347256,,,,,1.97E-07,,
*/C=C(/*)CCCCCCCCCCOc1ccc(-c2ccc(OCC(F)CCCCCC)cc2)cc1,0.371,,,,,15.55000941,0.962525342,,,,,2.67E-07,,
*/C=C(/*)CCCCCCCCCCOc1ccc(-c2ccc(OCCCCCCCC)cc2)cc1,0.312,,,,,15.59812973,0.938209096,,,,,2.26E-07,,
*/C=C(/*)CCCOc1ccc(-c2ccc(C(=O)OC(C)CCCCCC)cc2)cc1,0.327,,,,,13.25150233,0.989325024,,,,,2.45E-07,,
*/C=C(/*)CCCOc1ccc(-c2ccc(C(=O)OCC(F)CCCCCC)cc2)cc1,0.275,,,,,13.31564286,1.022539269,,,,,2.02E-07,,
*/C=C(/*)CCCOc1ccc(-c2ccc(CCCCC)cc2)cc1,0.352,,,,,12.50777746,0.976925232,,,,,2.68E-07,,
*/C=C(/*)CNCc1ccccc1,0.199,,,,,12.12304751,1.009560386,,,,,1.59E-07,,
*/C=C(/*)CNS(=O)(=O)CC,,,,,32.188158,13.35885,1.204998,,1.48047,,3.63536,,,
*/C=C(/*)CNS(=O)(=O)Cc1ccccc1,0.212,,,,,11.83950487,1.223402312,,,,,1.58E-07,,
*/C=C(/*)CNS(=O)(=O)c1ccc(C)cc1,0.193,,,,28.264034,12.269133,1.211667,,1.561335,,3.192166,1.46E-07,,
*/C=C(/*)CNS(=O)(=O)c1ccc(CCC)cc1,0.173,,,,,13.83037038,1.071537176,,,,,1.37E-07,,
*/C=C(/*)CNS(=O)(=O)c1cccc2ccccc12,,,,,27.00115,11.367167,1.242898,,1.59685,,3.049534,,,
*/C=C(/*)CNS(=O)(=O)c1ccccc1,0.239,,,,,15.06744961,1.24281406,,,,,1.84E-07,,
*/C=C(/*)F,,,,,19.031713,20.73125,1.115825,,1.408704,,2.149459,,,
*/C=C(/*)c1c(C)cc(C(C)(C)C)cc1C,0.258,,,,18.23859,12.5784,0.745742,,1.422155,,2.059883,2.53E-07,6.41E-08,0.008202635
*/C=C(/*)c1c(F)c(F)c(CCCC)c(F)c1F,0.137,,,,19.710126,10.582392,1.056135,,1.417145,,2.22608,1.05E-07,1.92E-08,0.010795997
*/C=C(/*)c1cc(C(F)(F)F)oc1C(F)(F)F,,,,,17.829256,17.10015,1.304568,,1.361005,,2.013652,,,
*/C=C(/*)c1ccc(C#C)cc1,0.199,,,,22.872694,15.295567,0.915737,,1.591379,,2.583263,2.11E-07,,
*/C=C(/*)c1ccc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1,,,,,,12.333667,1.208811,,,,,,,
*/C=C(/*)c1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1,,,,,25.839021,12.539067,1.142048,,1.605804,,2.918283,,,
*/C=C(/*)c1ccc(Cl)cc1,0.121,,,,23.823355,14.711783,1.093104,,1.57362,,2.690631,1.12E-07,,
*/C=C(/*)c1ccc(N)cc1,0.223,,,,,13.11146932,0.929290082,,,,,2.18E-07,,
*/C=C(/*)c1ccc(NC=O)cc1,0.215,,,,27.131181,13.014017,1.042999,,1.586398,,3.06422,1.94E-07,,
*/C=C(/*)c1ccc(OC)cc1,0.187,,,,23.873063,13.046983,0.950893,,1.52976,,2.696245,1.67E-07,,
*/C=C(/*)c1ccc([N+](=O)[O-])cc1,,,,,26.876857,14.616333,1.075042,,1.542837,,3.035497,,,
*/C=C(/*)c1ccc2ccc3cccc4ccc1c2c34,,,,,24.001413,12.120767,0.9663,,1.633546,,2.710741,,,
*/C=C(/*)c1ccc2ccccc2c1,,,,,22.902757,12.409283,0.915647,,1.592169,,2.586658,,,
*/C=C(/*)c1cccc(Br)c1,0.099,,,,,20.86962171,1.264018701,,,,,1.06E-07,,
*/C=C(/*)c1cccc(C#C)c1,0.158,,,,22.168656,12.3888,0.904953,,1.562912,,2.503748,1.70E-07,,
*/C=C(/*)c1cccc(Cl)c1,0.126,,,,22.135054,17.84125,0.983781,,1.503121,,2.499953,1.30E-07,,
*/C=C(/*)c1cccc2ccccc12,,,,,20.853644,16.842733,0.863155,,1.520825,,2.35523,,,
*/C=C(/*)c1ccccc1,0.154,,,,20.69098,14.609817,0.854974,,1.509976,,2.336858,1.60E-07,,
*/C=C(/*)c1ccccc1C,0.156,,,,19.439371,17.2335,0.806137,,1.465946,,2.1955,1.62E-07,,
*/C=C(/*)c1ccccc1C(C)C,0.139,,,,18.060945,11.892633,0.750027,,1.416256,,2.03982,1.44E-07,,
*/C=C(/*)c1ccccc1C(F)(F)F,0.077,,,,,16.60910897,0.965067276,,,,,7.61E-08,3.44E-05,0.014435003
*/C=C(\F)C(F)(F)C*,,,,,,14.914067,1.379212,,,,,,0.002091789,0.031322407
*/C=C/*,0.221,2.988,1.161,,21.541565,35.17737087,,3.084,1.526843,0.328,2.432924,,1.45E-08,0.01658312
*/C=C/C(*)(C)c1ccccc1,0.205,,,,,12.37176157,0.972227621,,,,,1.72E-07,9.59E-08,0.023396699
*/C=C/C(=O)c1ccc(C(=O)/C=C/Nc2ccc(Cc3ccc(N*)cc3)cc2)cc1,0.241,,,,,,,,,,,,,
*/C=C/C(=O)c1cccc(C(=O)/C=C/Nc2ccc(Cc3ccc(N*)cc3)cc2)c1,0.246,,,,,,,,,,,,,
*/C=C/C(C(=O)OC(C)C)C(*)C(=O)OC(C)C,0.195,3.347,1.72,,,13.10146733,,4.405,,0.281,,,,
*/C=C/C(C(=O)OC)C(*)c1ccccc1,0.19,,,,,15.48676982,1.02758564,,,,,1.51E-07,,
*/C=C/C(C(=O)OCCCC)C(*)c1ccccc1,0.194,,,,,12.75565646,0.971253792,,,,,1.50E-07,,
*/C=C/C(C)(C)C(*)(C)C,0.232,4.533,1.925,,,15.50648001,,5.059,,0.314,,,,
*/C=C/C(C)C(*)C,0.186,3.055,0.772,,,16.53077558,,2.136,,0.383,,,,
*/C=C/C(C)C(*)C(=O)OC,0.189,3.271,1.416,347.66,,14.472267,0.981703,3.712,,0.311,,1.38E-07,0.013909292,0.026766551
*/C=C/C(C)C(*)C(=O)OC(C)C,,,,,21.704907,14.185217,0.927536,,1.435009,,2.451372,,,
*/C=C/C(C)C(*)C(=O)OCCCCCCN(C)c1ccc(N(C)C)cc1,0.258,,,,,13.604233,1.017937,,,,,1.74E-07,1.61E-07,0.010505678
*/C=C/C(C)C(*)C(=O)OCCCN(C)c1ccc(N(C)C)cc1,0.223,,,,,12.1081485,1.037023515,,,,,1.52E-07,1.76E-05,0.022263322
*/C=C/C(C)C(*)C(=O)OCCN(C)c1ccc(N(C)C)cc1,0.24,,,,,11.41541969,1.049436166,,,,,1.64E-07,1.28E-06,0.018211895
*/C=C/C(C)CCCCC*,0.254,,,,,,,,,,,,,
*/C=C/C(C*)C(C)CC,0.201,3.52,1.371,,,14.35476002,,3.64,,0.328,,,,
*/C=C/C(C*)CC,,,,,27.257358,13.777417,0.829797,,1.469351,,3.078471,,,
*/C=C/C(C*)CCC,0.228,3.904,1.519,,,13.41293322,,4.034,,0.328,,,,
*/C=C/C(C*)OC,,,,,,16.6643,0.960994,,,,,,0.004834923,0.009403106
*/C=C/C1C/C(=C\C)C(*)C1,,,,,21.836132,20.015417,0.89142,,1.508116,,2.466193,,,
*/C=C/C1CC(*)C2(Cl)OC(=O)OC12Cl,,,,,25.808571,18.1095,1.367721,,1.476705,,2.914843,,,
*/C=C/C1CC(*)C2CC=CC12,,,,,24.619785,21.648017,0.977534,,1.509035,,2.780581,,,
*/C=C/C1CCC(*)C1,0.257,,,,,,,,,,,,,
*/C=C/C1CCCCC1*,,,,,19.197755,13.330117,0.869124,,1.45625,,2.168212,,,
*/C=C/C=C/C=C/c1cc(CCCCCCC)c(*)cc1CCCCCCC,0.269,4.149,1.398,,,16.70017076,0.865740172,3.771,,0.349,,2.01E-07,,
*/C=C/CC(C*)(c1ccccc1)c1ccccc1,0.171,,,,,12.94003477,0.96159061,,,,,1.48E-07,,
*/C=C/CC(C*)c1ccccc1,0.215,,,,,14.68784585,0.964496603,,,,,1.70E-07,5.26E-06,0.014331289
*/C=C/CC*,0.251,3.239,1.039,196.06,,22.42778283,,2.816,,0.355,,,1.22E-07,0.024808563
*/C=C/CCC*,0.267,3.767,1.229,204.66,,18.15160576,,3.325,,0.353,,,1.50E-07,0.026958168
*/C=C/CCCCC*,0.282,3.728,0.879,,,18.45746772,,2.445,,0.391,,,,
*/C=C/CCCCCC*,0.36,3.744,1.002,215.37,,19.44062874,,2.76,,0.377,,,2.98E-07,0.020653253
*/C=C/CCCCCCC(Cl)CCCCCC*,0.339,,,,,19.54188854,,,,,,,,
*/C=C/CCCCCCCC*,0.369,3.862,1.109,,,20.8395062,,3.036,,0.369,,,,
*/C=C/CCCCCCCCCC(CCCCCCCCC*)COCCOCCOCCOCCOCCCCCC,0.31,,,242.68,,16.02209513,,,,,,,2.84E-06,0.058984759
*/C=C/CCCCCCCCCC(CCCCCCCCC*)COCCOCCOCCOCCOCCCCCCCCCCCCCC,0.332,,,,,,,,,,,,,
*/C=C/CCCCCCCCCC(Cl)CCCCCCCCC*,0.348,4.274,1.131,,,20.00761368,,3.118,,0.378,,,,
*/C=C/CCCCCCCCCC*,0.394,4.049,0.857,,,20.61494369,,2.402,,0.401,,,1.03E-07,0.040486552
*/C=C/c1cc(-c2ccc3c(c2)C(CCCCCCCC)(CCCCCCCC)c2ccccc2-3)c(*)cc1-c1ccc(F)cc1F,0.198,,,,,12.78967647,,,,,,,,
*/C=C/c1cc(C)c(*)cc1C,0.38,5.87,2.692,,,24.83846423,,7.005,,0.301,,,,
*/C=C/c1cc(CC(CC)CCCC)c(*)cc1CCCC,0.383,5.176,2.209,,,19.70054994,0.854559826,5.802,,0.313,,2.93E-07,,
*/C=C/c1cc(CCCCCCC)c(*)cc1CCCCCCC,0.262,5.426,2.332,,,21.04359834,0.847156115,6.119,,0.312,,1.97E-07,,
*/C=C/c1cc(CCCCCCCCCCC)c(/C=C/c2ccc(*)cc2)cc1CCCCCCCCCCC,0.348,,,,,15.68183389,,,,,,,,
*/C=C/c1cc(CCCCCCCCCCCC)c(*)s1,0.368,,,,,,,,,,,,,
*/C=C/c1cc(CCCCCCCCCCCC)c(/C=C/c2ccc(*)cc2)cc1CCCCCCCCCCCC,0.303,,,,,,,,,,,,,
*/C=C/c1cc(Cl)c(*)cc1Cl,0.309,2.881,0.814,,,34.21621312,,2.232,,0.371,,,,
*/C=C/c1cc(OC(C)C)c(*)cc1OC,0.449,3.728,2.561,,,31.11874612,0.895670479,6.251,,0.221,,3.91E-07,,
*/C=C/c1cc(OC)c(*)cc1Br,0.353,,,,,35.63553649,1.334204357,,,,,3.17E-07,,
*/C=C/c1cc(OC)c(*)cc1C,0.365,,,,,25.5501036,0.950052501,,,,,3.10E-07,,
*/C=C/c1cc(OC)c(*)cc1OC,0.382,4.521,1.812,,,20.17223605,,4.795,,0.323,,,,
*/C=C/c1cc(OCC(CC)CCCC)c(*)cc1-c1ccc(F)c(C(F)(F)F)c1,0.185,,,360.72,,22.21132757,,,,,,,8.72E-07,0.016829634
*/C=C/c1cc(OCC(CC)CCCC)c(*)cc1-c1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1,0.242,,,,,13.49779574,,,,,,,8.50E-07,0.010950963
*/C=C/c1cc(OCC(CC)CCCC)c(*)cc1OC,0.514,5.492,2.544,,,22.88140205,0.925182942,6.611,,0.299,,3.90E-07,7.85E-07,0.02162346
*/C=C/c1cc(OCC)c(*)cc1OCC,0.38,2.902,1.495,,,26.75259269,0.907143465,3.828,,0.28,,3.21E-07,,
*/C=C/c1cc(OCC)c(-c2cc(OCC)c(*)cc2OCC)cc1OCC,0.251,,,,,19.19950432,0.923913795,,,,,2.10E-07,,
*/C=C/c1cc(OCC2CC3CC2C2CCCC32)c(*)cc1OC,0.258,,,519.06,,14.23214352,,,,,,,7.93E-06,0.009563963
*/C=C/c1cc(OCC2CC3CC2C2CCCC32)c(*)cc1OCC1CC2CC1C1CCCC21,0.24,6.487,3.212,,,17.43472846,,8.271,,0.288,,,,
*/C=C/c1cc(OCCC(C)CCCC(C)C)c(*)cc1OC,0.296,4.45,2.114,,,15.58653234,0.916942224,5.475,,0.295,,2.23E-07,1.21E-05,0.013083312
*/C=C/c1cc(OCCCC)c(*)cc1OC,0.407,5.2,2.861,,,23.48015327,0.922183736,7.253,,0.268,,3.29E-07,7.28E-08,0.025504034
*/C=C/c1cc(OCCCCCC)c(*)cc1OC,0.524,5.569,2.643,381.17,,21.10266717,,6.846,,0.295,,,1.57E-06,0.014873286
*/C=C/c1cc(OCCCCCC)c(*)cc1OCCCCCC,0.378,5.684,2.454,,,21.80869097,0.904783713,6.436,,0.311,,2.80E-07,,
*/C=C/c1cc(OCCCCCCCC)c(*)cc1OC,0.31,4.811,1.961,397.49,,17.48153992,,5.179,,0.321,,,3.89E-06,0.010913993
*/C=C/c1cc(OCCCCCCCCCCCC)c(*)cc1OC,0.251,5.954,2.648,365.98,,20.35612021,,6.918,,0.306,,,5.00E-07,0.01881836
*/C=C/c1cc(OCCCCCCCCCCCCCCCC)c(/C=C/c2ccc(*)cc2)cc1OCCCCCCCCCCCCCCCC,0.362,4.675,1.762,266.44,,15.92222857,,4.696,,0.333,,,5.23E-06,0.011921577
*/C=C/c1cc(OCCc2ccccc2)c(*)cc1OC,0.285,,,364.08,,22.32367647,,,,,,,2.63E-07,0.008597696
*/C=C/c1ccc(*)c(-c2c(OCC(CC)CCCC)ccc3cc(-c4ccccc4)ccc23)c1,0.212,,,,,14.07025714,,,,,,,5.64E-07,0.009424721
*/C=C/c1ccc(*)c(-c2c(OCC(CC)CCCC)ccc3ccccc23)c1,0.257,,,421.55,,17.91931312,,,,,,,1.14E-06,0.011700864
*/C=C/c1ccc(*)c(-c2cc(-c3ccccc3)c(OCC(CC)CCCC)cc2OCC(CC)CCCC)c1,0.256,,,,,12.57676107,,,,,,,,
*/C=C/c1ccc(*)c(-c2cc(OCC(CC)CCCC)c(-c3ccccc3)cc2OCC(CC)CCCC)c1,0.237,,,,,13.74155321,,,,,,,,
*/C=C/c1ccc(*)c(-c2cc(OCC(CC)CCCC)c(OCC(CC)CCCC)cc2-c2ccccc2)c1,0.196,,,,,13.24845393,,,,,,,,
*/C=C/c1ccc(*)c(-c2cc(OCCC(C)C)c(OCCC(C)C)cc2-c2ccc(C(F)(F)F)cc2)c1,0.184,,,,,17.81147708,,,,,,,,
*/C=C/c1ccc(*)c(-c2cc(OCCC(C)C)c(OCCC(C)C)cc2-c2ccc(F)cc2)c1,0.334,,,,,17.30440703,,,,,,,,
*/C=C/c1ccc(*)c(-c2cc(OCCC(C)C)c(OCCC(C)C)cc2-c2ccc(OC)cc2)c1,0.308,,,,,17.48157569,,,,,,,,
*/C=C/c1ccc(*)c(-c2cc(OCCC(C)C)c(OCCC(C)C)cc2-c2ccccc2)c1,0.307,,,461.83,,17.01287337,,,,,,,1.25E-06,0.009960976
*/C=C/c1ccc(*)c(-c2ccc(OCC(CC)CCCC)c3ccccc23)c1,0.219,,,,,19.8614021,,,,,,,1.02E-06,0.00804211
*/C=C/c1ccc(*)c(C(=O)OC(C)(C)C)c1C(=O)OC(C)(C)C,0.196,,,,,20.81369983,0.909233942,,,,,1.66E-07,,
*/C=C/c1ccc(*)c(F)c1,0.254,3.241,1.704,,,25.53225498,1.077498314,4.35,,0.276,,2.17E-07,,
*/C=C/c1ccc(*)c(OC)c1,0.673,6.56,3.266,,,32.25710509,0.980636244,8.403,,0.286,,5.78E-07,,
*/C=C/c1ccc(*)c(OCc2cc(OCCC(C)CCCC(C)C)cc(OCC(CC)CCCC)c2)c1,0.229,,,,,13.72657004,0.933086124,,,,,1.70E-07,1.64E-05,0.002991987
*/C=C/c1ccc(*)c2ccc(CCCCCC)cc12,0.339,,,,,20.81567785,,,,,,,,
*/C=C/c1ccc(*)c2ccc(CCCCCCCCCCC)cc12,0.27,,,,,11.9820881,,,,,,,,
*/C=C/c1ccc(*)cc1,0.54,7.025,3.324,,,25.25187791,,8.613,,0.296,,,9.83E-08,0.004747523
*/C=C/c1ccc(-c2ccc(*)s2)s1,0.316,,,,,,,,,,,,,
*/C=C/c1cccc(*)c1,0.29,,,,,18.94410925,1.028208239,,,,,2.48E-07,,
*/C=C/c1sc(*)c(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC,0.418,4.041,1.252,,,11.69721179,,3.404,,0.36,,,,
*/C=C/c1sc(-c2sc(*)c(OCCCC)c2OCCCC)c(OCCCC)c1OCCCC,0.264,,,,,,,,,,,,,
*/C=C/c1sc(/C=C/c2cc(CCCCCCCCCCCC)c(*)s2)cc1CCCCCCCCCCCC,0.291,,,,,,,,,,,,,
*/N=C(/*)c1ccc(N2C(=O)c3ccccc3C2=O)nc1,,,,,26.449088,13.434483,1.253668,,1.641455,,2.987184,,,
*/N=N/c1cc(*)ccc1C,0.287,4.681,1.366,,,18.15097918,1.057548363,3.735,,0.367,,,,
*/N=N/c1ccc(*)cc1,0.954,9.391,3.887,,,54.01696556,1.11553603,10.247,,0.318,,,,
*/N=N/c1ccc(-c2ccc(*)c(C)c2)cc1C,0.678,,,,,36.1312479,1.021202869,,,,,,,
*=C=C=C(CCCCOC(=O)Nc1ccccc1)C(=*)CCCCOC(=O)Nc1ccccc1,0.327,,,,,15.55466977,,,,,,,,
*=C=C=C(Cn1c2ccccc2c2ccccc21)C(=*)Cn1c2ccccc2c2ccccc21,0.188,,,,,12.21503123,,,,,,,,
*C(*)C,0.207,,,,,,,,,,,,,
*C(*)CC,0.212,,,,,,,,,,,,,
*C(=C(*)C1=CC2=C(C=C1)C1=C(C2)C=CC=C1)C1=CC=CC=C1,0.114,1.916,1.653,,,,,3.851,,0.165,,,,
*C(=C(*)C1=CC2=C(C=C1)C1=C(C=CC=C1)C=C2)C1=CC=CC=C1,0.131,0.83,1.267,,,,,2.519,,-0.006,,,,
*C(=C(*)C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC=CC=C1,0.121,1.815,1.844,,,,,4.132,,0.121,,,,
*C(=C(*)C1=CC=C2C3=C(C=CC=C3)C3(CC3)C2=C1)C1=CC=CC=C1,0.111,1.833,1.207,,,,,2.969,,0.23,,,,
*C(=C(*)C1=CC=C2CCCC2=C1)C1=CC=CC=C1,0.144,2.74,1.9,,,,,4.63,,0.218,,,,
*C(=C(*)C1=CC=CC=C1)C1=CC=CC=C1,0.121,3.121,2.146,,,,,5.238,,0.22,,,,
*C(=O)C(*)(C)C,0.261,5.239,2.706,,,25.84971423,,6.926,,0.28,,,,
*C(=O)C1=CC=C(C=C1)C1(OC(=O)C2=C1C=CC=C2)C1=CC=C(C=C1)C(=O)C1=CC=C(OC2=CC=C(C=C2)C(=O)C2=CC=C(C=C2)C(=O)C2=CC=C(OC3=CC=C(*)C=C3)C=C2)C=C1,0.216,6.06,2.548,,,,,6.704,,0.316,,,,
*C(=O)C1=CC=C(C=C1)C1(OC(=O)C2=C1C=CC=C2)C1=CC=C(C=C1)C(=O)C1=CC=C(OC2=CC=C(C=C2)C(=O)C2=CC=C(OC3=CC=C(*)C=C3)C=C2)C=C1,0.245,5.551,2.362,,,,,6.206,,0.314,,,,
*C(=O)C1=CC=C(C=C1)C1(OC(=O)C2=C1C=CC=C2)C1=CC=C(C=C1)C(=O)C1=CC=C(OC2=CC=C(C=C2)C(=O)C2=CC=CC(=C2)C(=O)C2=CC=C(OC3=CC=C(*)C=C3)C=C2)C=C1,0.228,5.444,2.366,,,,,6.2,,0.31,,,,
*C(=O)N(*)CCCCCCCCCCCCCCCCCC,0.416,4.576,1.386,,,12.57201307,,3.777,,0.362,,,,
*C(=O)N(*)Cc1ccccc1,0.139,,,,,13.10813106,1.094317796,,,,,1.12E-07,,
*C(=O)N(*)c1ccc(OC)cc1,0.13,,,,,13.05042735,1.004324004,,,,,1.16E-07,,
*C(=O)N(*)c1cccc(C)c1,0.15,,,,,13.27899563,0.960092871,,,,,1.39E-07,,
*C(=O)NCCCCCCCCCCNC(=O)c1ccc(*)o1,0.217,,,,,,,,,,,,,
*C(=O)NNC(=O)C(=O)NNC(=O)c1cncc(*)n1,,,,,27.385366,23.411833,1.367598,,1.579493,,3.092928,,,
*C(=O)NNC(=O)c1ccc(*)nc1,,,,,27.244888,27.989133,1.267731,,1.541345,,3.077062,,,
*C(=O)NNC(=O)c1cnc(*)cn1,,,,,23.205816,33.8381,1.248917,,1.506266,,2.620886,,,
*C(=O)Nc1ccc(C2(c3ccc(NC(=O)c4ccc5c(c4)C(=O)N(c4ccc(C6(c7ccc(N8C(=O)c9ccc(*)cc9C8=O)cc7)c7ccccc7-c7ccccc76)cc4)C5=O)cc3)c3ccccc3-c3ccccc32)cc1,0.282,,,,,23.42008151,,,,,,,,
*C(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4cccc5c(N6C(=O)c7ccc(*)cc7C6=O)cccc45)cc2)C3=O)cc1,0.404,,,,,21.08510808,1.193491611,,,,,3.54E-07,,
*C(=O)Nc1ccc(Oc2ccc(N3C(=O)c4ccc(*)cc4C3=O)cc2)cc1,0.297,,,,,,,,,,,,,
*C(=O)OCC(C)(C)CSCC(C)(C)COC(=O)C1(C)CNC(*)(C)CN1,,,,,,14.897367,1.016727,,,,,,,
*C(=O)OCCCCCCCCCCCCOC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccc(*)cc4C3=O)cc2)cc1,,,,,,22.745583,1.122296,,,,,,,
*C(=O)OCCCCCCCCCCOC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccc(*)cc4C3=O)cc2)cc1,,,,,,27.168483,1.150002,,,,,,,
*C(=O)OCCCCCCCCCOC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccc(*)cc4C3=O)cc2)cc1,,,,,,22.039967,1.158101,,,,,,,
*C(=O)OCCCCCCCCOC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccc(*)cc4C3=O)cc2)cc1,,,,,,30.693117,1.17817,,,,,,,
*C(=O)OCCCCCCCOC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccc(*)cc4C3=O)cc2)cc1,,,,,,25.941183,1.190187,,,,,,,
*C(=O)OCCCCCCOC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccc(*)cc4C3=O)cc2)cc1,,,,,,23.714633,1.203914,,,,,,,
*C(=O)OCCCCCOC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccc(*)cc4C3=O)cc2)cc1,,,,,,26.1302,1.220577,,,,,,,
*C(=O)OCCCCOC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccc(*)cc4C3=O)cc2)cc1,,,,,,26.2345,1.232975,,,,,,,
*C(=O)OCCOC(=O)c1ccc(*)o1,,,,,,19.404767,1.302156,,,,,,,
*C(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc4c(c3)C(=O)N(c3cccc(N5C(=O)c6ccc(*)cc6C5=O)c3)C4=O)cc2)cc1,,,,,,26.14485,1.218589,,,,,,,
*C(=O)c1ccc(-c2ccc(*)cc2)cc1,0.446,,,,,24.62041966,1.099757044,,,,,4.05E-07,,
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(-c3nc(-c4ccccc4)nc(-c4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)n3)cc1)C2=O,0.292,,,,,,,,,,,,,
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)c3ccc(C(=O)c4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc3)cc1)C2=O,0.278,,,,,,,,,,,,,
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)c3ccc(Cc4ccc(C(=O)c5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc4)cc3)cc1)C2=O,0.274,,,,,,,,,,,,,
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O,0.269,,,,,,,,,,,,,
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)c3cccc(C(=O)c4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)c3)cc1)C2=O,0.292,,,,,,,,,,,,,
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(C)c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O,0.236,,,,,,,,,,,,,
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(CCC)c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O,0.209,,,,,,,,,,,,,
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(CCCCC)c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O,0.278,,,,,,,,,,,,,
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(CCCCCC)c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O,0.259,,,,,,,,,,,,,
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(CCCCCCCC)c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O,0.311,,,,,,,,,,,,,
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)C(C)C)cc1)C2=O,0.243,,,,,,,,,,,,,
*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(=O)c4cccc(C(=O)c5ccc(Oc6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6)cc5)c4)cc3)cc1)C2=O,0.328,,,,,23.97728876,,,,,,,,
*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(-c3nc(-c4ccccc4)nc(-c4cccc(N5C(=O)c6ccc(*)cc6C5=O)c4)n3)c1)C2=O,0.215,,,,,,,,,,,,,
*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(C(=O)c3ccc(C(=O)c4cccc(N5C(=O)c6ccc(*)cc6C5=O)c4)cc3)c1)C2=O,0.244,,,,,,,,,,,,,
*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cc3ccc(Cc4ccc(Cc5cccc(N6C(=O)c7ccc(*)cc7C6=O)c5)cc4)cc3)c1)C2=O,0.197,,,,,,,,,,,,,
*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cc3ccc(Cc4cccc(N5C(=O)c6ccc(*)cc6C5=O)c4)cc3)c1)C2=O,0.228,,,,,,,,,,,,,
*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(Nc3nc(N)nc(Nc4cccc(N5C(=O)c6ccc(*)cc6C5=O)c4)n3)c1)C2=O,0.201,,,,,,,,,,,,,
*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(Nc3nc(Nc4cccc(N5C(=O)c6ccc(*)cc6C5=O)c4)nc(-c4ccccc4)n3)c1)C2=O,0.211,,,,,,,,,,,,,
*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(Nc3nc(Nc4cccc(N5C(=O)c6ccc(*)cc6C5=O)c4)nc(N(C)C)n3)c1)C2=O,0.209,,,,,,,,,,,,,
*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(Nc3nc(Nc4cccc(N5C(=O)c6ccc(*)cc6C5=O)c4)nc(N(c4ccccc4)c4ccccc4)n3)c1)C2=O,0.166,,,,,,,,,,,,,
*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(Nc3ncnc(Nc4cccc(N5C(=O)c6ccc(*)cc6C5=O)c4)n3)c1)C2=O,0.223,,,,,,,,,,,,,
*C(=O)c1ccc2nc(-c3ccccc3)c(-c3ccc(Oc4ccc(-c5nc6cc(*)ccc6nc5-c5ccccc5)cc4)cc3)nc2c1,,,,,,21.397633,0.994718,,,,,,,
*C(=S)N(*)c1ccccc1,,,,,28.658315,17.692033,1.21945,,1.702755,,3.236696,,,
*C(C(=O)OC)C(*)C(=O)OC(C)(C)C,,,,,18.827192,12.07915,0.9411,,1.369008,,2.12636,,,
*C(C)/C=C/C(C)S(*)(=O)=O,,,,,24.942237,16.901733,1.106311,,1.483692,,2.816999,,,
*C(C)C(*)C(=O)OC,,,,,20.44512,13.7034,0.976368,,1.408974,,2.30909,,,
*C(C)C(*)C(=O)OC(C)C,,,,,18.315606,14.391667,0.873417,,1.378163,,2.068581,,,
*C(C)C(*)OC,,,,,20.12509,13.615633,0.876853,,1.416151,,2.272946,,,
*C(C)C(*)OC(C)(C)C,,,,,18.162567,11.659268,0.820703,,1.399891,,2.051297,,,
*C(C)C(*)OC(C)C,,,,,18.734768,11.8579,0.818731,,1.391172,,2.115922,,,
*C(C)C(*)OCC,,,,,20.279373,12.642633,0.879005,,1.41754,,2.290371,,,
*C(C)C(*)OCC(C)C,,,,,19.340456,12.4058,0.83574,,1.409013,,2.184329,,,
*C(C)C(*)OCCC,,,,,19.81111,12.028947,0.847367,,1.409184,,2.237485,,,
*C(C)C(*)OCCCC,,,,,19.54937,12.218183,0.859824,,1.430825,,2.207924,,,
*C(C)C(*)[N+](=O)[O-],,,,,27.397152,14.098683,1.192148,,1.45248,,3.094259,,,
*C(Cl)C(*)OCCCC,,,,,19.658081,12.447695,0.942398,,1.395573,,2.220201,,,
*C(F)(F)C(*)(F)C(F)(F)F,,,,,13.955796,18.353567,1.501816,,1.244017,,1.57618,,,
*C(F)(F)C(*)(F)C(F)(F)P(=O)(O)O,,,,,,12.775667,1.846908,,,,,,,
*C(F)(F)C(*)(F)Cl,0.139,,,,16.260427,24.3281,1.625675,,1.34488,,1.836467,9.60E-08,,
*C(F)(F)C(*)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,,,,13.583531,14.42705,1.010046,,1.232368,,1.534136,,0.000208443,0.03739922
*C(F)(F)C(*)(F)OC(F)(F)C(F)(F)F,,,,,13.700454,17.42605,1.442759,,1.234015,,1.547342,,,
*C(F)(F)C(*)(F)OC(F)(F)F,,,,,13.991234,18.743733,1.458444,,1.236736,,1.580183,,,
*C(F)(F)C(*)(F)OC(F)C(F)F,0.096,4.343,2.215,,19.145529,17.33035,1.461574,5.679,1.284017,0.282,2.162313,6.26E-08,8.99E-08,0.059900387
*C(F)(F)C(*)(F)c1c(F)c(F)c(F)c(F)c1F,,,,,15.508944,17.901083,1.332698,,1.308582,,1.751594,,,
*C(F)(F)C(*)(F)c1ccccc1,0.155,5.878,2.143,,15.56094,22.222533,0.822386,5.732,1.283959,0.337,1.757467,1.84E-07,1.83E-05,0.00566126
*C(F)(F)C(F)(F)C(F)(F)C(*)(F)C(F)(F)F,,,,,13.939135,16.732133,1.491927,,1.236977,,1.574298,,,
*C(F)(F)C(F)(F)C1(F)C(*)(F)OC(F)(F)C1(F)F,0.147,1.09,1.495,,13.931065,22.2903,1.462067,3.078,1.242143,0.029,1.573387,8.98E-08,,
*C(F)(F)C1(*)OC(F)(C(F)(F)F)C(F)(C(F)(F)F)O1,,,,,14.531987,13.57655,1.607068,,1.270941,,1.641256,,,
*C(F)(F)C1(*)OC(F)(F)C(F)(C(F)(F)F)O1,,,,,14.373055,14.649383,1.54248,,1.261423,,1.623306,,,
*C(F)(F)C1(*)OC(F)(F)C(F)(F)O1,,,,,15.230653,15.7161,1.652779,,1.290511,,1.720164,,,
*C(F)(F)C1(F)C(F)(F)C(*)(F)C(F)(F)C1(F)F,,,,,9.401025,20.672883,0.152425,,1.02598,,1.06176,,,
*C(F)(F)C1(F)C(F)(F)C(*)(F)C1(F)F,,,,,14.65036,43.828717,0.15068,,1.270739,,1.654625,,0.000119395,9.54E-05
*C(F)(F)CC(F)(F)C(*)(F)C(F)(F)F,,,,,16.089986,20.724767,1.639361,,1.301007,,1.817218,,,
*C(F)C(*)(F)F,,,,,16.679956,23.2534,1.571693,,1.320715,,1.883849,,8.08E-05,0.027222648
*C(F)C(*)(F)OC(F)(F)F,,,,,15.618332,15.378117,1.491552,,1.279976,,1.763949,,0.000254865,0.022864414
*C(F)C(*)C(F)(F)F,,,,,16.701233,15.128033,1.519505,,1.31942,,1.886252,,,
*C(O)C(C)C1C(=O)OC(=O)C1*,,,,,25.975995,14.367517,1.231738,,1.449695,,2.933752,,,
*C(OC(F)(F)F)C(*)(F)F,,,,,15.574151,15.7823,1.305091,,1.292128,,1.758959,,0.00087098,0.024397002
*C([2H])([2H])C(*)(C(=O)OC([2H])([2H])[2H])C([2H])([2H])[2H],,,,,18.562401,14.103467,0.936555,,1.382227,,2.096454,,,
*C([2H])([2H])C(*)(F)F,,,,,19.284501,19.016867,1.461918,,1.390016,,2.178009,,,
*C([2H])([2H])C(*)([2H])Cl,,,,,22.789029,19.16865,1.261057,,1.489843,,2.573814,,,
*C([2H])([2H])C(*)([2H])c1c([2H])c([2H])c([2H])c([2H])c1[2H],0.211,3.734,2.753,,21.783176,15.942967,0.953452,6.63,1.553991,0.204,2.460212,1.72E-07,,
*C(c1ccccc1)C(*)(C#N)C#N,0.11,,,,21.565596,15.3752,0.924185,,1.445633,,2.435638,1.17E-07,,
*C(c1ccccc1)C(*)(C#N)C(=O)OCC,0.139,,,,22.981189,14.169717,0.921885,,1.415092,,2.595516,1.29E-07,,
*C(c1ccccc1)C(*)[N+](=O)[O-],,,,,26.838391,14.136517,1.037951,,1.470288,,3.031152,,,
*C(c1ccoc1)C(*)[N+](=O)[O-],,,,,26.647116,18.85925,1.213778,,1.464158,,3.009549,,,
*C*,0.563,4.538,1.23,264.42,,24.4363295,,3.384,,0.376,,,3.48E-06,0.019753991
*C/C=C(\C)CS(*)(=O)=O,,,,,31.535365,15.697317,1.246575,,1.526325,,3.561633,,,
*C/C=C/CS(*)(=O)=O,,,,,53.808366,16.113517,1.333105,,1.549407,,6.077166,,,
*C1(F)OC(C(F)(F)F)(C(F)(F)Cl)OC1(*)F,,,,,13.720817,22.983383,0.234817,,1.232993,,1.549642,,,
*C12CC3CC(C1)CC(*)(C3)C2,,,,,17.971668,12.330373,0.879095,,1.419773,,2.029736,,,
*C1=CC(C(=O)C2=CC=CC=C2)=C(*)C=C1,0.175,5.098,3.263,,,,,8.068,,0.236,,,,
*C1=CC2=C(OC3=CC(=CC=C3O2)C2(C3=C(C=CC=C3)C3=C2C=CC=C3)C2=CC3=C(OC4=C(O3)C=CC(*)=C4)C=C2)C=C1,0.28,2.066,1.288,,,,,3.199,,0.242,,,,
*C1=CC2C(C=C1)C(=O)N(C2=O)C1=CC=C(OC2=CC=C(C=C2)N2C(=O)C3=CC=C(*)C=C3C2=O)C=C1,0.257,,,,,,,,,,,,,
*C1=CC=C(C=C1)C1(C2=C(C=CC=C2)C2=C1C=CC=C2)C1=CC=C(*)C=C1,0.208,2.79,1.047,,,,,2.792,,0.333,,,,
*C1=CC=C(C=C1)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(*)C=C1,0.277,,,,,,,,,,,,,
*C1=CC=C(OC2=CC=C(C=C2)C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=C(OC3=CC=C(*)C=C3)C=C2)C=C1,0.229,4.648,2.67,,,,,6.723,,0.259,,,,
*C1=CC=C(OC2=CC=C(C=C2)C2(C3C=CC=CC3C3C=CC=CC23)C2=CC=C(OC3=CC=C(*)C=C3)C=C2)C=C1,0.216,4.989,2.61,,,,,6.667,,0.277,,,,
*C1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(OC3=CC=C(C=C3)S(*)(=O)=O)C=C2)C=C1,0.21,,,,,,,,,,,,,
*C1=CC=C(OC2=CC=C(OC3=CC=C(*)C=C3)C3=C2C2C4=C(C=CC=C4)C3C3=C2C=CC=C3)C=C1,0.275,,,,,,,,,,,,,
*C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=C(OC2=CC=C(C=C2)N2C(=O)C3=C(C=C(C=C3)C3=NC4=C(C=C(CC5=CC=C6N=C(*)OC(=O)C6=C5)C=C4)C(=O)O3)C2=O)C=C1,0.345,,,,,,,,,,,,,
*C1=NC2=C(N1)C=CC(=C2)C1=CC2=C(NC(=N2)C2=CC=C(*)C=C2)C=C1,0.537,6.806,1.058,,,,,3.018,,0.426,,,,
*C1=NC2=C(N1)C=CC(=C2)C1=CC2=C(NC(=N2)C2=CC=CC(*)=C2)C=C1,0.411,6.394,1.718,,,,,4.73,,0.377,,,,
*C1=NC2=C(N1)C=CC(=C2)C1=CC2=C(NC(=N2)C2=CC=CC(*)=N2)C=C1,0.309,5.478,1.49,,,,,4.098,,0.375,,,,
*C1=NC2=CC(=CC=C2N1)C1=CC2=C(NC(O2)C2=CC=C(OC3=C4C5C6=C(C=CC=C6)C(C6=C5C=CC=C6)C4=C(OC4=CC=C(*)C=C4)C4=C3C3C5=C(C=CC=C5)C4C4=C3C=CC=C4)C=C2)C=C1,,5.393,2.354,,,16.71947835,,6.165,,0.309,,,,
*C1=NC2=CC(=CC=C2N1)C1=CC2=C(NC(O2)C2=CC=C(OC3=CC=C(OC4=CC=C(*)C=C4)C4=C3C3C5=C(C=CC=C5)C4C4=C3C=CC=C4)C=C2)C=C1,,5.032,2.058,,,25.45483654,1.110994329,5.433,,0.32,,,,
*C1=NN=C(N1C1=CC=CC=C1)C1=CC(*)=CC=C1,0.198,,,,,,,,,,,,,
*C1=NN=C(N1C1=CC=CC=C1)C1=CC=CC(=C1)C1=NN=C(N1C1=CC=CC=C1)C1=CC=C(*)C=C1,0.211,3.928,2.19,,,,,5.54,,0.265,,,,
*C1C(*)C2CC1C1C=CCC12,,,,,17.508913,12.145783,0.831146,,1.399875,,1.977473,,,
*C1C(*)C2CC1C1CCCC21,,,,,18.442019,12.291333,0.906244,,1.439809,,2.082858,,,
*C1C(=O)N(C(C)(C)C)C(=O)C1*,,,,,18.106618,14.050167,0.902797,,1.368944,,2.044978,,,
*C1C(=O)N(C(C)CC)C(=O)C1*,,,,,18.128357,11.544667,0.923777,,1.38594,,2.047433,,,
*C1C(=O)N(C2CCCCC2)C(=O)C1*,0.165,1.834,0.93,636.03,17.636743,12.10815,0.900885,2.387,1.378389,0.283,1.99191,1.25E-07,7.49E-08,0.014362969
*C1C(=O)N(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C(=O)C1*,0.224,7.119,3.368,,26.871163,11.277967,1.157443,8.728,1.596949,0.296,3.034854,1.74E-07,2.19E-06,0.009543125
*C1C(=O)N(Nc2ccccc2)C(=O)C1*,,,,,21.488802,11.71855,1.101997,,1.492888,,2.426965,,,
*C1C(=O)N(c2ccc(C)cc2)C(=O)C1*,0.153,2.959,2.04,,,12.83180759,,4.976,,0.22,,,,
*C1C(=O)N(c2cccc(C(=O)O)c2)C(=O)C1*,,,,,24.10508,13.10485,1.301356,,1.553983,,2.72245,,,
*C1C(=O)N(c2ccccc2)C(=O)C1*,0.156,1.395,2.108,,22.410536,12.680567,1.17643,4.206,1.537345,-0.002,2.531066,1.17E-07,,
*C1C(=O)N(c2ccccc2C(=O)OC)C(=O)C1*,0.143,,,,22.240745,11.954267,1.168105,,1.491654,,2.51189,1.13E-07,1.24E-05,0.005304305
*C1C(=O)N(c2ccccc2C)C(=O)C1*,,,,,21.818859,12.417233,1.119123,,1.515546,,2.464242,,,
*C1C(=O)N(c2ccccc2OC)C(=O)C1*,,,,,22.031293,12.4653,1.133752,,1.498067,,2.488234,,,
*C1C(=O)OC(=O)C1*,0.125,6.161,2.189,,22.175127,14.930767,1.41826,5.872,1.479382,0.341,2.504479,9.30E-08,,
*C1C(=O)OC(=O)C1C(C)(C)C(*)O,,,,,27.579855,17.529283,1.130983,,1.422242,,3.114894,,,
*C1C2C/C(=C\C)C(C2)C1*,,,,,18.048117,11.18955,0.820024,,1.421642,,2.038371,,,
*C1C2CC(C)C(C2)C1*,,,,,17.597622,12.3568,0.811184,,1.403978,,1.987491,,,
*C1C2CCC(C2)C1*,0.166,2.68,2.775,,17.744725,13.050583,0.83057,6.189,1.411346,0.115,2.004105,1.36E-07,2.85E-06,0.011712241
*C1C=C(C(*)(C)C)C2CC=CCC12,,,,,18.255496,13.2796,0.827154,,1.425138,,2.061792,,,
*C1C=C(C)C(*)C1,,,,,19.498755,19.04595,0.87418,,1.473626,,2.202207,,,
*C1C=C(C)C(*)S1,,,,,22.782667,20.57005,1.140982,,1.570788,,2.573095,,,
*C1C=C(CCCCCC)C(*)S1,,,,,20.006455,14.028817,0.969287,,1.479774,,2.259547,,,
*C1C=CC(*)C1,0.265,4.661,1.788,,20.687634,22.718617,0.944377,4.756,1.513948,0.33,2.33648,2.08E-07,,
*C1C=CC(*)CC1,,,,,20.524659,22.008633,0.946863,,1.51365,,2.318074,,,
*C1C=CC(*)S1,,,,,24.580442,29.331133,1.260346,,1.628329,,2.776137,,,
*C1CC2C3CCC(C3)C2C1*,0.148,4.327,2.672,,16.07567,11.188883,0.730901,6.648,1.343939,0.244,1.815601,1.39E-07,,
*C1CC2CC1C(*)C2CCCC,0.156,2.752,1.697,,17.350914,18.65145,0.793691,4.223,1.390266,0.244,1.959628,1.25E-07,3.52E-06,0.016084821
*C1CC2CC1C(*)C2CCCCCC,0.21,4.078,1.978,,18.701717,10.162695,0.866369,5.108,1.440682,0.291,2.112189,1.51E-07,1.38E-06,0.007043923
*C1CC2CC1C(*)C2CCCCCCCCCC,0.31,5.071,1.711,,,14.39063477,,4.614,,0.348,,,,
*C1CCC(*)C1,0.413,,,,19.35209,20.707317,0.897453,,1.470938,,2.185643,2.92E-07,2.19E-09,0.026226556
*C1CCC1*,0.169,3.921,2.065,,18.653444,14.599317,0.841819,5.27,1.445986,0.276,2.106737,1.28E-07,,
*C1CCC2C(*)CCC12,,,,,19.113233,26.553033,0.909766,,1.460172,,2.158666,,,
*C1CCCC(S(*)(=O)=O)C1,,,,,21.836696,15.763067,1.168125,,1.455276,,2.466256,,,
*C1CCCCC1*,,,,,18.664555,11.644033,0.845123,,1.445318,,2.107992,,,
*C1CCCCC1S(*)(=O)=O,0.155,,,,,15.15828898,,,,,,,1.40E-07,0.017810638
*C1CCOC1(*)C,,,,,20.168933,16.8864,0.985785,,1.454316,,2.277898,,,
*C1CCOC1*,,,,,21.057869,16.9395,1.045624,,1.469203,,2.378295,,,
*C1CCc2ccccc2C1*,,,,,19.996095,12.126162,0.922455,,1.493453,,2.258377,,,
*C1Cc2ccccc2C1*,0.119,3.913,1.449,507.43,20.759212,12.383017,0.950329,3.869,1.520099,0.335,2.344564,1.17E-07,2.83E-06,0.01123645
*C1Nc2ccc(C)cc2C1*,,,,,21.624169,12.7745,0.966333,,1.512716,,2.442253,,,
*C1OC(C(F)(F)F)(C(F)(F)F)OC1(*)F,,,,,14.011014,23.869633,0.187103,,1.237398,,1.582417,,0.000621608,0.000191407
*C1OCCCC1C1C(=O)OC(=O)C1*,,,,,23.64766,15.673333,1.181516,,1.441539,,2.670788,,,
*C1OCOC(C(*)(F)F)C1(F)F,,,,,17.404147,21.6165,1.408208,,1.332046,,1.96564,,,
*C1Oc2ccccc2C1*,,,,,22.006131,13.928767,1.103633,,1.552709,,2.485392,,,
*C1c2cccc3cccc(c23)C1*,,,,,21.86353,12.050733,0.973757,,1.559491,,2.469287,,,
*CC#CC#CCOc1ccc(-c2ccc(O*)cc2)cc1,0.36,,,,,24.22020055,1.098492913,,,,,3.20E-07,,
*CC#CC#CCOc1ccc(C(C)(C)c2ccc(O*)cc2)cc1,0.274,,,,,20.6441515,1.047109467,,,,,2.36E-07,,
*CC#CCOC(=O)CCCCCCCCC(=O)O*,,,,,,19.986183,1.019111,,,,,,0.000568885,0.013132098
*CC(*)(C#N)C(=O)OC,0.16,5.12,2.809,,22.312004,15.397883,1.098351,7.124,1.418801,0.268,2.519938,1.22E-07,,
*CC(*)(C#N)C(=O)OC(C)C,,,,,22.439687,13.2685,0.968728,,1.379167,,2.534359,,,
*CC(*)(C#N)C(=O)OCC,0.174,4.061,1.781,,20.530447,14.104633,0.989564,4.662,1.394802,0.309,2.318727,1.44E-07,,
*CC(*)(C#N)C(=O)OCC(C)C,,,,,20.040677,12.3059,0.906391,,1.398208,,2.263412,,,
*CC(*)(C#N)C(=O)OCCCC,0.189,4.541,2.231,,20.407214,12.836967,0.98531,5.751,1.414993,0.289,2.304809,1.33E-07,,
*CC(*)(C#N)C(=O)OCCCCCC,0.225,4.615,1.542,,12.913938,10.62034,0.394783,4.162,1.161745,0.35,1.458512,3.83E-07,,
*CC(*)(C#N)C(=O)OCCCCCCC,,,,,,11.9205,0.937386,,,,,,,
*CC(*)(C(=O)OC(C)(C)C)C(F)(F)F,,,,,,14.97695,0.96281,,,,,,,
*CC(*)(C(=O)OC)c1ccccc1,0.144,3.063,2.451,,19.800252,13.53175,0.965699,5.805,1.447366,0.184,2.236258,1.23E-07,,
*CC(*)(C)C,0.201,2.771,2.248,294.42,,,,5.308,,0.181,,,0.000789552,0.058370652
*CC(*)(C)C#N,0.149,5.256,1.751,465.49,,16.28256988,,4.728,,0.35,,,2.81E-08,0.019490297
*CC(*)(C)C(=O)NC(=O)OC(C)COc1c(Br)cc(S(=O)(=O)c2cc(Br)c(OCC(C)O)c(Br)c2)cc1Br,0.145,4.896,1.797,,,12.5994675,,4.803,,0.336,,,,
*CC(*)(C)C(=O)NC(=O)OC(C)COc1ccc(S(=O)(=O)c2ccc(OCC(C)O)cc2)cc1,,,,,,11.614317,1.165191,,,,,,,
*CC(*)(C)C(=O)NC(=O)OCCOc1c(Br)cc(S(=O)(=O)c2cc(Br)c(OCCO)c(Br)c2)cc1Br,,,,,,12.413383,1.769777,,,,,,,
*CC(*)(C)C(=O)NC(=O)OCCOc1ccc(S(=O)(=O)c2ccc(OCCO)cc2)cc1,,,,,,12.825867,1.226059,,,,,,,
*CC(*)(C)C(=O)NC(=O)Oc1c(Br)cc(S(=O)(=O)c2cc(Br)c(O)c(Br)c2)cc1Br,0.109,,,,,,,,,,,,,
*CC(*)(C)C(=O)NC(=O)Oc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1,,,,,,12.662383,1.270065,,,,,,,
*CC(*)(C)C(=O)NCC,,,,,20.667575,14.42035,0.876516,,1.400406,,2.334215,,,
*CC(*)(C)C(=O)O,,,,,22.630739,15.411567,1.144433,,1.46079,,2.555936,,,
*CC(*)(C)C(=O)OC,0.177,3.273,1.826,,19.197788,15.446133,0.945665,4.619,1.390406,0.265,2.168216,1.21E-07,,
*CC(*)(C)C(=O)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F,0.035,2.408,1.941,,14.851503,13.7216,1.232457,4.59,1.258806,0.182,1.677342,3.52E-08,,
*CC(*)(C)C(=O)OC(C(F)(F)F)C(F)(F)F,0.086,1.584,2.337,,16.906577,14.725133,1.334628,4.7,1.31888,0.006,1.909444,5.04E-08,,
*CC(*)(C)C(=O)OC(C)(C)C,0.164,1.823,1.065,,17.753344,13.347467,0.836557,2.674,1.375797,0.256,2.005079,1.25E-07,,
*CC(*)(C)C(=O)OC(C)C,,,,,17.875665,14.515117,0.851339,,1.358291,,2.018894,,,
*CC(*)(C)C(=O)OC(C)C(C)(C)C,0.174,2.625,1.293,,17.777429,11.5543,0.832114,3.332,1.375445,0.288,2.007799,1.35E-07,,
*CC(*)(C)C(=O)OC(C)C(F)(F)F,0.119,2.137,1.519,,19.126077,13.1562,1.086142,3.684,1.335172,0.213,2.160116,8.48E-08,,
*CC(*)(C)C(=O)OC(C)CC,0.182,3.12,1.412,,18.44541,13.884383,0.87734,3.681,1.381562,0.303,2.083241,1.40E-07,,
*CC(*)(C)C(=O)OC(C)OCCCl,,,,,29.741774,12.708783,1.10794,,1.42355,,3.359063,,,
*CC(*)(C)C(=O)OC(C)OCCOc1ccccc1,0.188,,,,,11.97236152,1.075630228,,,,,1.35E-07,,
*CC(*)(C)C(=O)OC(C)Oc1ccc(OC)cc1,0.202,,,,,11.97994614,1.059263076,,,,,1.51E-07,,
*CC(*)(C)C(=O)OC(F)(C(F)(F)F)C(F)(F)Cl,0.069,1.965,1.825,,15.829679,15.682,1.276853,4.181,1.301336,0.145,1.787818,5.17E-08,,
*CC(*)(C)C(=O)OC(F)(C(F)(F)F)C(F)(F)F,0.062,2.534,2.457,,15.085316,15.009733,1.251649,5.571,1.277282,0.134,1.703749,5.06E-08,,
*CC(*)(C)C(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.083,1.305,1.431,,14.745147,12.5488,1.453554,3.144,1.272959,0.098,1.66533,5.58E-08,,
*CC(*)(C)C(=O)OC(OCC)C(F)(F)F,,,,,22.861324,12.53305,1.128342,,1.352335,,2.581979,,,
*CC(*)(C)C(=O)OC12CC3CC(C)(CC(C)(C3)C1)C2,0.119,6.185,3.31,,18.400276,9.848737,0.915479,8.427,1.412965,0.273,2.078144,9.28E-08,,
*CC(*)(C)C(=O)OC12CC3CC(CC(C3)C1)C2,0.133,2.868,1.413,,17.673245,11.40375,0.884144,3.641,1.381963,0.288,1.996032,9.89E-08,,
*CC(*)(C)C(=O)OC1CC(C)CC(C)(C)C1,0.15,2.989,1.301,,16.732609,10.376173,0.762153,3.408,1.339098,0.31,1.889796,1.28E-07,,
*CC(*)(C)C(=O)OC1CC2CCC1(C)C2(C)C,0.154,2.144,1.738,,17.799136,10.655128,0.869132,4.105,1.381514,0.181,2.010251,1.14E-07,,
*CC(*)(C)C(=O)OC1CCC(C(C)(C)C)CC1,0.138,3.37,1.413,,18.088981,10.06901,0.857236,3.719,1.397998,0.316,2.042986,1.18E-07,,
*CC(*)(C)C(=O)OC1CCC(C)CC1,0.158,3.864,1.508,,,11.80505526,,4.003,,0.327,,,,
*CC(*)(C)C(=O)OC1CCC(Cl)CC1,,,,,18.14463,11.320967,0.897358,,1.364008,,2.049271,,,
*CC(*)(C)C(=O)OC1CCCC(C)C1,0.16,3.118,1.49,,,10.34584016,,3.856,,0.294,,,,
*CC(*)(C)C(=O)OC1CCCC1,,,,,18.724912,13.1375,0.921607,,1.401401,,2.114809,,,
*CC(*)(C)C(=O)OC1CCCCC1,0.295,3.766,1.546,,,10.8595327,,4.08,,0.319,,,,
*CC(*)(C)C(=O)OC1CCCCC1C,0.147,3.846,1.724,,17.700304,11.23455,0.87685,4.5,1.382563,0.305,1.999088,1.17E-07,,
*CC(*)(C)C(=O)OC1CCCCC1Cl,,,,,19.002557,12.612617,0.982222,,1.401896,,2.146166,,,
*CC(*)(C)C(=O)OC1CCOCC1,,,,,19.449327,12.3959,0.962571,,1.391173,,2.196625,,,
*CC(*)(C)C(=O)OCC,0.167,3.478,1.613,,,13.61883804,,4.191,,0.299,,,,
*CC(*)(C)C(=O)OCC#C,,,,,19.946937,14.637933,0.999656,,1.442599,,2.252825,,,
*CC(*)(C)C(=O)OCC#N,,,,,37.553309,15.211283,1.067938,,1.426639,,4.241305,,,
*CC(*)(C)C(=O)OCC(=O)Nc1cc(C)on1,,,,,39.580074,12.655283,1.154621,,1.459986,,4.470209,,,
*CC(*)(C)C(=O)OCC(C)(C)C,0.165,1.904,1.143,,,10.91862442,,2.857,,0.25,,,,
*CC(*)(C)C(=O)OCC(C)(C)C1OCC(C)(C)CO1,0.182,2.79,1.506,,18.680025,10.554867,0.889501,3.829,1.381572,0.271,2.109739,1.26E-07,,
*CC(*)(C)C(=O)OCC(C)C,,2.897,1.425,,,,,3.673,,0.289,,,,
*CC(*)(C)C(=O)OCC(C)O,,,,,25.924268,12.593233,0.983826,,1.421716,,2.92791,,,
*CC(*)(C)C(=O)OCC(CC)CCCC,0.19,3.561,1.45,,18.958599,10.497947,0.89877,3.83,1.427525,0.321,2.141201,1.37E-07,,
*CC(*)(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,0.09,,,,16.768392,11.731067,1.490733,,1.307573,,1.893837,5.64E-08,,
*CC(*)(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.062,2.035,1.438,,15.997931,12.913883,1.477859,3.492,1.294827,0.214,1.806821,4.67E-08,,
*CC(*)(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,0.113,,,,,12.809533,1.456595,,,,,7.10E-08,,
*CC(*)(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F,0.095,,,,19.017801,12.3025,1.410903,,1.340051,,2.147888,5.96E-08,,
*CC(*)(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)F,,,,,17.709979,13.428167,1.327026,,1.318366,,2.000181,,,
*CC(*)(C)C(=O)OCC(F)(F)C(F)(F)F,,,,,19.5568,13.99905,1.278058,,1.335237,,2.208763,,,
*CC(*)(C)C(=O)OCC(F)(F)C(F)F,,,,,22.252733,13.077,1.256426,,1.345583,,2.513244,,,
*CC(*)(C)C(=O)OCC(F)(F)F,,,,,23.387844,14.190967,1.146693,,1.351665,,2.641444,,,
*CC(*)(C)C(=O)OCC(O)CO,,,,,35.059259,13.580133,1.024334,,1.44782,,3.959625,,,
*CC(*)(C)C(=O)OCC1(C)COC(C)(C)OC1,0.159,4.995,1.851,,,11.46248639,,4.942,,0.335,,,,
*CC(*)(C)C(=O)OCC1(C)COCOC1,0.111,4.609,2.365,,,10.74845321,,6.059,,0.281,,,,
*CC(*)(C)C(=O)OCC1CCCO1,0.167,4.701,1.924,,,11.83904224,,5.079,,0.32,,,,
*CC(*)(C)C(=O)OCC1CO1,0.17,4.704,2.345,,,14.01614618,,6.033,,0.286,,,,
*CC(*)(C)C(=O)OCC=C,,,,,19.956047,13.255268,0.9521,,1.419956,,2.253854,,,
*CC(*)(C)C(=O)OCCBr,0.151,5.24,2.465,,,15.26731429,,6.393,,0.297,,,,
*CC(*)(C)C(=O)OCCC,,,,,,12.637067,0.914795,,,,,,,
*CC(*)(C)C(=O)OCCC#N,0.127,4.136,1.801,,31.735066,14.0591,1.0612,4.718,1.437359,0.31,3.584187,9.83E-08,,
*CC(*)(C)C(=O)OCCC(C)(C)C,0.212,3.15,1.493,,,11.4609216,,3.868,,0.295,,,,
*CC(*)(C)C(=O)OCCC(C)CC(C)(C)C,0.198,3.478,1.707,,,,,4.401,,0.289,,,,
*CC(*)(C)C(=O)OCCCC,0.199,3.29,1.462,,,12.81294077,,3.82,,0.306,,,,
*CC(*)(C)C(=O)OCCCCC,0.187,3.864,1.66,,,11.58525278,,4.356,,0.312,,,,
*CC(*)(C)C(=O)OCCCCCC,0.184,4.021,1.521,,,11.78953051,,4.052,,0.332,,,,
*CC(*)(C)C(=O)OCCCCCCCC,0.227,4.397,1.735,,,11.61104884,,4.6,,0.326,,,,
*CC(*)(C)C(=O)OCCCCCCCCCC,0.255,4.066,1.338,,,11.000067,0.889378,3.617,,0.352,,1.79E-07,,
*CC(*)(C)C(=O)OCCCCCCCCCCCC,0.279,4.315,1.418,,19.215002,11.16975,0.878393,3.834,1.423016,0.352,2.17016,1.85E-07,,
*CC(*)(C)C(=O)OCCCCCCCCCCCCCC,0.316,4.196,1.434,,19.048103,11.347217,0.869421,3.862,1.426485,0.347,2.15131,2.16E-07,,
*CC(*)(C)C(=O)OCCCCCCCCCCCCCCCC,0.26,,,,,11.76995,0.860331,,,,,1.81E-07,,
*CC(*)(C)C(=O)OCCCCCCCCCCCCCCCCCC,0.326,4.378,1.422,,,12.24265,0.855104,3.849,,0.353,,2.20E-07,,
*CC(*)(C)C(=O)OCCCCCCCCCCOc1ccc(/N=N/c2ccc(C#N)cc2)cc1,0.289,,,,,14.34074131,1.01913587,,,,,,,
*CC(*)(C)C(=O)OCCCCCCCCCCOc1ccc(/N=N/c2ccc(Cl)cc2)cc1,0.247,,,,,14.65434391,1.058745023,,,,,,,
*CC(*)(C)C(=O)OCCCCCCCCCCOc1ccc(/N=N/c2ccc(F)cc2)cc1,0.311,,,,,14.50004795,1.033092581,,,,,,,
*CC(*)(C)C(=O)OCCCCCCCCCCOc1ccc(/N=N/c2ccc(OC)cc2)cc1,0.232,,,,,13.99883588,1.017769585,,,,,,,
*CC(*)(C)C(=O)OCCCCCCCCCCOc1ccc(/N=N/c2ccccc2)cc1,0.219,,,,,13.38486528,1.003848618,,,,,,,
*CC(*)(C)C(=O)OCCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1,0.278,,,,,13.08176766,1.030289557,,,,,2.07E-07,,
*CC(*)(C)C(=O)OCCCCCCCCOc1ccc(/N=N/c2ccc(C#N)cc2)cc1,0.245,,,,,13.46885714,1.046501663,,,,,,,
*CC(*)(C)C(=O)OCCCCCCN(C)c1ccc(/N=N/c2ccc(S(C)(=O)=O)cc2)cc1,0.265,,,,,13.55667016,1.104929438,,,,,,,
*CC(*)(C)C(=O)OCCCCCCOc1ccc(-c2ccc(OC)cc2)cc1,0.201,5.546,2.36,,,12.68219208,,6.2,,0.314,,,,
*CC(*)(C)C(=O)OCCCCCCOc1ccc(/N=N/c2ccc(C#N)cc2)cc1,0.186,,,,,12.66840172,1.060842508,,,,,,,
*CC(*)(C)C(=O)OCCCCCCOc1ccc(/N=N/c2ccc(OC)cc2)cc1,0.191,,,,,12.84331905,1.053056822,,,,,,,
*CC(*)(C)C(=O)OCCCCCCOc1ccc(/N=N/c2ccc(OCCCC)cc2)cc1,0.221,,,,,13.02479175,1.015236799,,,,,,,
*CC(*)(C)C(=O)OCCCCCCc1ccc(/N=N/c2ccc(OC(F)(F)F)cc2)cc1,0.208,,,,,13.46718876,1.116309692,,,,,,,
*CC(*)(C)C(=O)OCCCCCc1ccc(/N=N/c2ccc(OC(F)(F)F)cc2)cc1,0.187,,,,,13.20851905,1.135270811,,,,,,,
*CC(*)(C)C(=O)OCCCCOc1ccc(/N=N/c2ccc(C#N)cc2)cc1,0.212,,,,,12.95842298,1.077263358,,,,,,,
*CC(*)(C)C(=O)OCCCCc1ccc(/N=N/c2ccc(OC(F)(F)F)cc2)cc1,0.175,,,,,12.76373837,1.156110792,,,,,,,
*CC(*)(C)C(=O)OCCCCl,,,,,28.286316,12.672517,1.105988,,1.432168,,3.194682,,,
*CC(*)(C)C(=O)OCCCCn1c2ccccc2c2ccccc21,0.176,3.713,0.633,,,11.45732375,,1.797,,0.419,,,,
*CC(*)(C)C(=O)OCCCN1CCCC1=O,0.192,,,,,10.93776029,,,,,,,,
*CC(*)(C)C(=O)OCCCc1ccc(/N=N/c2ccc(OC(F)(F)F)cc2)cc1,0.182,,,,,13.04382027,1.154354849,,,,,,,
*CC(*)(C)C(=O)OCCCl,0.118,3.695,1.627,,,14.37849945,,4.256,,0.308,,,,
*CC(*)(C)C(=O)OCCF,0.16,5.188,2.281,,,14.10579773,,5.968,,0.308,,,,
*CC(*)(C)C(=O)OCCN(C)C,0.191,4.874,1.975,,,12.3457196,,5.22,,0.322,,,,
*CC(*)(C)C(=O)OCCN(C)c1ccc(/N=N/c2cc(Cl)ccc2Cl)cc1,0.19,,,,,12.32560676,1.195677009,,,,,,,
*CC(*)(C)C(=O)OCCN(CC)CC,0.26,4.778,2.097,,,11.45757736,,5.488,,0.309,,,,
*CC(*)(C)C(=O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.105,3.166,1.697,,17.60686,12.031417,1.479887,4.319,1.335016,0.273,1.988535,6.80E-08,,
*CC(*)(C)C(=O)OCCN(CC)c1ccc(/N=N/c2ccc(C#N)cc2)cc1,0.219,,,,,11.25119013,1.071969314,,,,,,,
*CC(*)(C)C(=O)OCCN(CC)c1ccc(/N=N/c2ccc(OC)cc2)c(C)c1,0.203,,,,,11.21342818,1.049293466,,,,,,,
*CC(*)(C)C(=O)OCCN(CC)c1ccc(/N=N/c2ccc(S(C)(=O)=O)cc2)cc1,0.217,,,,,12.50664347,1.130934947,,,,,,,
*CC(*)(C)C(=O)OCCN(CC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1,0.178,6.252,2.528,,,12.26891849,,6.683,,0.322,,,,
*CC(*)(C)C(=O)OCCNC(C)(C)C,0.175,3.589,1.842,,,11.94476747,,4.719,,0.281,,,,
*CC(*)(C)C(=O)OCCO,,,,,,13.586167,0.977173,,,,,,,
*CC(*)(C)C(=O)OCCOC,0.181,4.371,1.935,,,13.61871523,,5.059,,0.307,,,,
*CC(*)(C)C(=O)OCCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,,,,,,12.02145,0.571937,,,,,,,
*CC(*)(C)C(=O)OCCOCC,0.225,4.648,2.201,,,12.39029756,,5.703,,0.296,,,,
*CC(*)(C)C(=O)OCCOCCO,,,,,36.652806,12.843267,1.083028,,1.456555,,4.139601,,,
*CC(*)(C)C(=O)OCCOCCOCCOCCOc1ccc(/N=N/c2ccc(C#N)cc2)cc1,0.188,,,,,12.81730676,1.120432561,,,,,,,
*CC(*)(C)C(=O)OCCOCCOCCOc1ccc(/N=N/c2ccc(C#N)cc2)cc1,0.217,,,,,12.82094435,1.124258818,,,,,,,
*CC(*)(C)C(=O)OCCOCCOc1ccc(/N=N/c2ccc(C#N)cc2)cc1,0.216,,,,,12.77991534,1.127562844,,,,,,,
*CC(*)(C)C(=O)OCCO[N+](=O)[O-],,,,,37.807739,13.547417,1.224382,,1.44927,,4.27004,,,
*CC(*)(C)C(=O)OCCOc1ccc(/N=N/c2ccc(C#N)cc2)cc1,0.188,,,,,12.74054773,1.103068871,,,,,,,
*CC(*)(C)C(=O)OCCOc1ccc(/N=N/c2ccc(OC)cc2)cc1,0.215,,,,,12.61357038,1.106028192,,,,,,,
*CC(*)(C)C(=O)OCCS(=O)(=O)c1ccc(/N=N/c2ccc(N(CC)CC)cc2)cc1,0.198,,,,,12.05121202,1.097122841,,,,,,,
*CC(*)(C)C(=O)OCCS(=O)CC,0.199,5.287,2.247,,,12.05051013,,5.905,,0.314,,,,
*CC(*)(C)C(=O)OCC[N+](=O)[O-],0.18,5.365,2.436,,,14.1297443,,6.347,,0.303,,,,
*CC(*)(C)C(=O)OCCc1ccc(/N=N/c2ccccc2)cc1,0.182,,,,,11.98123328,1.076922725,,,,,,,
*CC(*)(C)C(=O)OCCc1ccccc1,0.166,5.241,2.002,,,11.43837267,,5.328,,0.331,,,,
*CC(*)(C)C(=O)OCc1c(Cl)cccc1Cl,,,,,28.616419,12.41315,1.273421,,1.535268,,3.231964,,,
*CC(*)(C)C(=O)OCc1cc(Cl)cc(Cl)c1,,,,,26.220667,13.248483,1.264333,,1.54875,,2.961386,,,
*CC(*)(C)C(=O)OCc1cc(Cl)ccc1Cl,,,,,23.978002,12.88975,1.264555,,1.539017,,2.708097,,,
*CC(*)(C)C(=O)OCc1ccc(Cl)c(Cl)c1,,,,,23.439884,12.947383,1.22282,,1.518341,,2.647322,,,
*CC(*)(C)C(=O)OCc1ccc(Cl)cc1Cl,,,,,27.260336,13.81675,1.269587,,1.541477,,3.078807,,,
*CC(*)(C)C(=O)OCc1ccc(F)cc1F,,,,,35.387483,13.129483,1.21033,,1.485594,,3.996694,,,
*CC(*)(C)C(=O)OCc1cccc(Cl)c1,,,,,23.471412,12.829383,1.158001,,1.507412,,2.650883,,,
*CC(*)(C)C(=O)OCc1cccc(Cl)c1Cl,,,,,23.937962,12.7354,1.233562,,1.50849,,2.703575,,,
*CC(*)(C)C(=O)OCc1cccc([N+](=O)[O-])c1,0.158,4.019,1.53,,24.493634,11.664882,1.168279,4.073,1.494778,0.331,2.766333,1.14E-07,,
*CC(*)(C)C(=O)OCc1ccccc1,0.183,3.705,2.269,,,12.3992761,,5.653,,0.246,,,,
*CC(*)(C)C(=O)OCc1ccccc1Cl,0.154,4.32,1.742,,27.583139,13.54355,1.152222,4.607,1.506857,0.322,3.115265,1.21E-07,,
*CC(*)(C)C(=O)OCc1ccco1,0.171,4.247,2.477,,,12.32614241,,6.221,,0.256,,,,
*CC(*)(C)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,0.079,3.44,1.603,,20.524881,13.985567,1.381987,4.162,1.50365,0.298,2.318099,6.52E-08,,
*CC(*)(C)C(=O)Oc1c(F)c(F)c(F)c(F)c1F,,,,,18.014414,13.19405,1.320221,,1.39752,,2.034564,,,
*CC(*)(C)C(=O)Oc1cc(C)cc(C)c1,,,,,,12.53465,0.962834,,,,,,,
*CC(*)(C)C(=O)Oc1ccc(/N=N/c2ccc(C#N)cc2)cc1,0.208,,,,,11.88913926,1.112526478,,,,,,,
*CC(*)(C)C(=O)Oc1ccc(/N=N/c2ccc(OC)cc2)cc1,0.263,,,,,12.44969712,1.103853158,,,,,,,
*CC(*)(C)C(=O)Oc1ccc(C#N)cc1,0.13,4.278,2.479,,29.599327,13.186167,1.105332,6.233,1.536428,0.257,3.342975,1.07E-07,,
*CC(*)(C)C(=O)Oc1ccc(C(=O)O)cc1,,,,,23.200661,12.879133,1.159612,,1.512943,,2.620304,,,
*CC(*)(C)C(=O)Oc1ccc(C(=O)OC)cc1,,,,,23.300154,12.100333,1.086602,,1.493994,,2.63154,,,
*CC(*)(C)C(=O)Oc1ccc(C(C)(C)C)cc1,0.186,4.037,1.963,,,11.99542846,,5.068,,0.291,,,,
*CC(*)(C)C(=O)Oc1ccc(C(C)=O)c(O)c1,,,,,23.247916,11.032583,1.113313,,1.50272,,2.625641,,,
*CC(*)(C)C(=O)Oc1ccc(C)cc1,0.168,3.091,2.266,,21.169665,12.66575,0.970783,5.463,1.474532,0.205,2.390921,1.29E-07,,
*CC(*)(C)C(=O)Oc1ccc(C)cc1C,0.145,3.342,1.594,,,12.26970455,,4.126,,0.294,,,,
*CC(*)(C)C(=O)Oc1ccc(CC#N)cc1,0.162,4.137,2.198,,27.948563,12.168,1.071311,5.602,1.502263,0.274,3.156536,1.31E-07,,
*CC(*)(C)C(=O)Oc1ccc([N+](=O)[O-])cc1,0.159,3.602,2.626,,25.085803,12.415667,1.207533,6.338,1.526976,0.207,2.833213,1.15E-07,,
*CC(*)(C)C(=O)Oc1ccc2ccccc2c1,0.146,6.001,1.853,,,12.73790543,,5.04,,0.36,,,,
*CC(*)(C)C(=O)Oc1cccc(C)c1,0.158,3.412,1.13,,20.736166,13.009683,0.995853,3.053,1.479341,0.351,2.341961,1.22E-07,,
*CC(*)(C)C(=O)Oc1cccc2cccnc12,,,,,23.063814,12.103417,1.083887,,1.534095,,2.604848,,,
*CC(*)(C)C(=O)Oc1ccccc1,0.215,4.023,2.316,,23.925548,12.580317,1.033233,5.829,1.496481,0.258,2.702173,1.49E-07,,
*CC(*)(C)C(=O)Oc1ccccc1C,0.179,4.053,1.73,,,13.62318206,,4.544,,0.313,,,,
*CC(*)(C)C(=O)Oc1ccccc1[N+](=O)[O-],,,,,26.052432,12.1985,1.178054,,1.491368,,2.942385,,,
*CC(*)(C)C(C)=O,0.18,4.084,1.404,,,15.25957674,,3.779,,0.346,,,,
*CC(*)(C)C(N)=O,0.158,3.201,1.942,,25.063013,14.773467,1.126064,4.846,1.504087,0.248,2.830639,1.03E-07,,
*CC(*)(C)CC,0.168,2.663,1.683,,18.554606,12.9818,0.787206,4.17,1.436916,0.239,2.095574,1.28E-07,,
*CC(*)(C)CCC,0.165,,,,17.663158,12.239385,0.755176,,1.404199,,1.994893,1.35E-07,,
*CC(*)(C)OC,,,,,,15.140283,0.846389,,,,,,0.00202816,0.008002709
*CC(*)(C)c1ccc(Br)cc1,0.107,,,,,15.26639767,1.283043975,,,,,9.81E-08,,
*CC(*)(C)c1ccc(C#N)cc1,,,,,28.463617,14.106833,0.920226,,1.48906,,3.214707,,,
*CC(*)(C)c1ccc(C(C)C)cc1,0.238,3.938,1.683,,18.67364,11.52204,0.801757,4.419,1.439361,0.313,2.109018,1.73E-07,,
*CC(*)(C)c1ccc(C(O)C(F)(F)F)cc1,,,,,26.211168,13.16225,1.138519,,1.43901,,2.960313,,,
*CC(*)(C)c1ccc(C)cc1,0.158,4.312,2.067,,19.403444,13.802683,0.837591,5.347,1.467174,0.293,2.191443,1.45E-07,,
*CC(*)(C)c1ccc(F)cc1,0.128,,,,22.269438,13.459167,0.9672,,1.460219,,2.515131,1.11E-07,,
*CC(*)(C)c1ccc2ccccc2c1,,,,,21.066968,12.313117,0.906678,,1.530847,,2.379322,,,
*CC(*)(C)c1ccc2ccccc2n1,,,,,22.28763,12.079133,0.978191,,1.556761,,2.517185,,,
*CC(*)(C)c1ccccc1,0.189,1.914,1.933,,20.045044,13.637433,0.887,4.338,1.49307,0.122,2.263905,1.48E-07,,
*CC(*)(C)c1ncncn1,,,,,20.013381,15.9937,1.010628,,1.459351,,2.260329,,,
*CC(*)(CC(=O)OC)C(=O)O,,,,,21.870511,13.133117,1.171726,,1.422661,,2.470075,,,
*CC(*)(CC(=O)OC)C(=O)OC,0.152,,,,20.499359,14.49685,1.042838,,1.390959,,2.315216,1.09E-07,,
*CC(*)(CC(=O)OC1CCCC1)C(=O)O,,,,,20.512599,11.056348,0.980035,,1.388131,,2.316712,,,
*CC(*)(CC(=O)OC1CCCCC1)C(=O)OC1CCCCC1,0.156,3.849,1.903,,,10.04778986,,4.901,,0.288,,,,
*CC(*)(CC(=O)OCC)C(=O)O,,,,,21.169177,12.82535,1.037627,,1.385558,,2.390866,,,
*CC(*)(CC(=O)OCC)C(=O)OCC,0.173,3.258,1.736,,20.035752,11.611783,0.978993,4.423,1.390376,0.274,2.262856,1.23E-07,,
*CC(*)(CC(=O)OCC1CCCCC1)C(=O)OCC1CCCCC1,0.19,,,,18.713338,9.452817,0.959968,,1.416529,,2.113501,1.32E-07,,
*CC(*)(CC(=O)OCCC)C(=O)OCCC,0.187,3.38,1.711,,,11.16357076,,4.392,,0.283,,,,
*CC(*)(CC(=O)OCCC1CCCCC1)C(=O)OCCC1CCCCC1,0.213,,,,,,,,,,,,,
*CC(*)(CC(=O)OCCCC)C(=O)OCCCC,0.238,3.572,1.789,,,10.50145976,,4.599,,0.285,,,,
*CC(*)(CC(=O)OCCCC1CCCCC1)C(=O)OCCCC1CCCCC1,0.199,,,,,9.347962,0.970686,,,,,1.32E-07,,
*CC(*)(CC(=O)OCCCCC)C(=O)OCCCCC,0.209,3.967,1.916,,,10.24635518,,4.951,,0.292,,,,
*CC(*)(CC(=O)OCCCCCC)C(=O)OCCCCCC,0.223,4.066,1.431,,,10.01915881,,3.842,,0.343,,,,
*CC(*)(CC(=O)OCCCc1ccccc1)C(=O)OCCCc1ccccc1,0.21,4.858,2.312,,,10.10003467,,5.986,,0.295,,,,
*CC(*)(CC(=O)OCCc1ccccc1)C(=O)OCCc1ccccc1,0.207,5.166,2.392,,,10.74609762,,6.217,,0.299,,,,
*CC(*)(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1,0.179,3.72,2.456,,22.016017,10.70845,1.098475,6.039,1.513027,0.229,2.486509,1.34E-07,,
*CC(*)(CC(=O)Oc1ccc(C)cc1)C(=O)Oc1ccc(C)cc1,0.187,3.424,2.736,,,11.04114403,,6.482,,0.185,,,,
*CC(*)(CC(=O)Oc1cccc(C)c1)C(=O)Oc1cccc(C)c1,0.167,3.295,1.574,,,10.97057697,,4.073,,0.294,,,,
*CC(*)(CC(=O)Oc1ccccc1)C(=O)Oc1ccccc1,0.161,3.29,2.987,,,11.69552442,,6.879,,0.152,,,,
*CC(*)(CC(=O)Oc1ccccc1C)C(=O)Oc1ccccc1C,0.157,4.053,2.037,,,10.962667,1.057749,5.234,,0.285,,1.30E-07,,
*CC(*)(CC)C(=O)OCC,0.156,3.374,1.626,,,12.48037065,,4.203,,0.292,,,,
*CC(*)(CCC(C)C(=O)OC)C(=O)OC,,,,,,12.033917,0.956569,,,,,,,
*CC(*)(CCC)C(=O)OC,,,,,17.709417,14.142133,0.846742,,1.366021,,2.000118,,,
*CC(*)(CF)C(=O)OC,0.129,5.493,2.418,,18.961307,14.659583,1.043559,6.326,1.364553,0.308,2.141507,9.95E-08,,
*CC(*)(CF)C(=O)OCC,0.187,4.418,1.978,,,13.63736539,,5.163,,0.305,,,,
*CC(*)(Cl)C#N,,,,,25.119529,16.232183,1.30243,,1.499727,,2.837022,,,
*CC(*)(Cl)C(=O)OC,,,,,21.108121,18.042067,1.193321,,1.420144,,2.38397,,,
*CC(*)(Cl)C(=O)OC(C)C,0.139,3.013,1.516,,,15.80245006,,3.895,,0.285,,,,
*CC(*)(Cl)C(=O)OC(C)CC,0.175,4.09,1.866,,19.17545,13.293517,1.030381,4.859,1.404514,0.302,2.165693,1.32E-07,,
*CC(*)(Cl)C(=O)OC1CCCCC1,0.135,4.385,1.876,,18.666307,12.526133,0.991365,4.926,1.393156,0.313,2.10819,1.05E-07,,
*CC(*)(Cl)C(=O)OCC,0.18,4.073,1.951,,,16.552184,,5.047,,0.293,,,,
*CC(*)(Cl)C(=O)OCCC,0.179,3.407,1.939,,,12.27540357,,4.889,,0.261,,,,
*CC(*)(Cl)C(=O)OCCCC,0.193,4.604,2.037,,20.115171,14.118467,1.086651,5.326,1.430533,0.307,2.271826,1.26E-07,,
*CC(*)(Cl)Cl,,,,,21.630726,22.4269,1.534068,,1.523314,,2.442994,,0.000554303,0.037707064
*CC(*)(F)C#N,0.154,,,,24.122326,17.6285,1.259888,,1.451175,,2.724397,1.11E-07,,
*CC(*)(F)C(=O)OC,,,,,20.781471,15.9702,1.158133,,1.386043,,2.347078,,,
*CC(*)(F)C(=O)OCC,,,,,20.41182,14.159283,1.099709,,1.386657,,2.305329,,,
*CC(*)(F)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.095,2.053,1.653,,,12.62311733,,3.91,,0.183,,,,
*CC(*)(F)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.101,,,,,13.07707519,1.567989916,,,,,6.28E-08,,
*CC(*)(F)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.089,,,,,12.77754856,1.570747068,,,,,5.50E-08,,
*CC(*)(F)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,0.108,2.515,1.168,,,13.05208073,,3.034,,0.299,,,,
*CC(*)(F)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.102,,,,,12.39753378,1.601312661,,,,,6.15E-08,,
*CC(*)(F)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,0.106,2.864,1.765,,,12.98518212,,4.393,,0.244,,,,
*CC(*)(F)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.101,,,405.18,17.741678,13.499233,1.531665,,1.311603,,2.003761,6.22E-08,,
*CC(*)(F)C(=O)OCC(F)(F)C(F)(F)C(F)(F)F,0.097,,,442.88,18.074302,14.146667,1.49577,,1.315544,,2.041328,6.03E-08,,
*CC(*)(F)C(=O)OCC(F)(F)C(F)F,,,,,22.828752,13.18975,1.452036,,1.354031,,2.5783,,,
*CC(*)(F)C(=O)OCC(F)(F)F,,,,,24.18291,12.660367,1.389716,,1.33866,,2.73124,,,
*CC(*)(F)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.121,2.055,1.458,382.17,,12.86015216,,3.537,,0.213,,,,
*CC(*)(F)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.096,,,284.39,19.553125,12.178117,1.501387,,1.318003,,2.208348,5.86E-08,,
*CC(*)(F)C(C)=O,,,,,21.103377,14.657833,1.081776,,1.39883,,2.383435,,0.033746669,0.014830213
*CC(*)(F)C(F)(F)F,,,,,16.347128,15.48525,1.393634,,1.297005,,1.846259,,0.000439324,0.015922369
*CC(*)(F)Cl,,,,,20.226095,19.163583,1.512842,,1.465605,,2.284354,,,
*CC(*)(F)F,,,,,,,,,,,,,0.00131337,0.111177029
*CC(*)(OC(C)=O)c1ccc(OC(=O)CCC)cc1,0.176,,,,23.843093,12.330833,1.028859,,1.456227,,2.692861,1.35E-07,,
*CC(*)(OC(C)=O)c1ccc(OC(=O)OC)cc1,0.176,,,,20.864876,12.540533,1.080114,,1.452926,,2.356498,1.37E-07,,
*CC(*)(OC(C)=O)c1ccc(OC(C)=O)cc1,,,,,30.764084,11.89875,1.088032,,1.484554,,3.474524,,,
*CC(*)/C=C/C,,,,,19.010066,14.5758,0.797956,,1.448953,,2.147014,,,
*CC(*)C,0.252,3.77,1.516,341.82,,15.63619856,,4.01,,0.323,,,2.21E-07,0.021993749
*CC(*)C#N,0.223,4.504,1.774,314.79,,20.43708909,,4.704,,0.326,,,3.37E-08,0.010829827
*CC(*)C(=O)C(C)C,0.224,3.184,1.459,,,12.63604574,,3.797,,0.301,,,,
*CC(*)C(=O)C1CCCCC1,0.224,3.853,1.629,,20.382054,10.982313,0.925145,4.283,1.432485,0.315,2.301968,1.48E-07,,
*CC(*)C(=O)N(C(C)C)C(C)C,0.2,3.392,0.529,,19.433287,10.384592,0.830386,1.509,1.386177,0.426,2.194813,1.48E-07,,
*CC(*)C(=O)N(C)C,0.227,3.882,2.199,,,14.4722603,,5.549,,0.262,,,,
*CC(*)C(=O)N(C)c1ccccc1,0.177,4.548,1.609,,,11.67331343,,4.318,,0.342,,,,
*CC(*)C(=O)N(CC=C)c1c(C)cccc1C,0.166,,,,21.793844,10.295828,0.977296,,1.490739,,2.461416,1.30E-07,,
*CC(*)C(=O)N(CCCC)CCCC,0.19,3.303,1.594,,21.785184,10.367705,0.877937,4.119,1.423827,0.292,2.460438,1.49E-07,,
*CC(*)C(=O)N(O)c1ccc(C)cc1,0.189,,,,,13.05789181,1.058089069,,,,,1.52E-07,,
*CC(*)C(=O)N(O)c1ccc(Cl)cc1,,,,,29.47384,11.9724,1.27656,,1.571022,,3.328802,,,
*CC(*)C(=O)N(O)c1cccc(C)c1,0.18,,,,,12.21138333,1.087541889,,,,,1.41E-07,,
*CC(*)C(=O)N(O)c1cccc(Cl)c1,,,,,29.406743,12.237217,1.280348,,1.561886,,3.321224,,,
*CC(*)C(=O)N(O)c1ccccc1C,0.181,,,,,12.20174657,1.068182082,,,,,1.44E-07,,
*CC(*)C(=O)N1CCCC1,,,,,24.480538,11.503717,1.03526,,1.476836,,2.764854,,,
*CC(*)C(=O)N1CCCCC1,0.241,5.839,2.166,,22.248152,11.52105,1.009984,5.783,1.458768,0.335,2.512726,1.45E-07,,
*CC(*)C(=O)N1CCN(C)CC1,,,,,22.383151,10.881058,1.04137,,1.475403,,2.527973,,,
*CC(*)C(=O)N1CCOCC1,0.211,6.989,2.655,,,11.35819502,,7.07,,0.331,,,,
*CC(*)C(=O)NC,,,,,38.868072,12.394317,1.069174,,1.474975,,4.389795,,,
*CC(*)C(=O)NC(C)(C)C,0.2,3.543,1.659,,,12.90682668,,4.305,,0.297,,,,
*CC(*)C(=O)NC(C)(C)CC,,,,,21.834402,10.790498,0.839158,,1.391805,,2.465997,,,
*CC(*)C(=O)NC(C)(C)CS(=O)(=O)O,,,,,26.379255,12.958167,1.254027,,1.465598,,2.979297,,,
*CC(*)C(=O)NC(C)(C)CS(N)(=O)=O,,,,,25.82163,11.06907,1.242535,,1.480658,,2.916318,,,
*CC(*)C(=O)NC(C)=O,,,,,25.738807,11.779167,1.1511,,1.478157,,2.906964,,,
*CC(*)C(=O)NC(C)C,0.212,3.771,1.596,,25.003933,12.429467,0.931144,4.196,1.428682,0.315,2.823967,1.58E-07,,
*CC(*)C(=O)NC(C)CC,0.215,3.321,1.386,,,12.6370902,,3.65,,0.317,,,,
*CC(*)C(=O)NC(CO)(CO)CO,,,,,41.19643,11.404573,1.237,,1.479012,,4.652762,,,
*CC(*)C(=O)NCC,,,,,26.22589,11.600067,0.989929,,1.449507,,2.961976,,,
*CC(*)C(=O)NCC(F)(F)F,,,,,25.853781,13.71025,1.328543,,1.384628,,2.91995,,,
*CC(*)C(=O)NCCCC,0.257,3.665,1.418,,,11.69729541,,3.768,,0.329,,,,
*CC(*)C(=O)NCCCCCC(=O)O,0.227,5.673,2.251,,25.83949,11.0309,1.105453,5.964,1.467766,0.325,2.918335,1.64E-07,,
*CC(*)C(=O)NCCCCCCCC/C=C/CCCCCCCC,0.308,4.529,1.329,,,12.56755,0.876364,3.632,,0.366,,2.14E-07,,
*CC(*)C(=O)NCCCCCCCCCCCC,0.326,4.205,1.307,,20.466049,11.0442,0.879482,3.553,1.435869,0.359,2.311454,2.41E-07,,
*CC(*)C(=O)NCCCCCCCCCCCCCC,0.367,4.603,1.457,,,,,3.954,,0.357,,,,
*CC(*)C(=O)NCCCCCCCCCCCCCCCC,0.317,4.556,1.414,,19.931386,11.79825,0.861708,3.844,1.428055,0.359,2.251069,2.18E-07,,
*CC(*)C(=O)NCCCCCCCCCCCCCCCCCC,0.339,4.187,1.374,,,12.90114502,,3.716,,0.352,,,,
*CC(*)C(=O)NCCCCCCCCCCCCCCCCCCCCCC,0.384,4.844,1.473,,,13.855367,0.849813,4.012,,0.362,,2.55E-07,,
*CC(*)C(=O)NCCO,,,,,47.953253,12.5078,1.207248,,1.517568,,5.415884,,,
*CC(*)C(=O)NCO,,,,,37.851529,13.269567,1.280108,,1.518711,,4.274986,,,
*CC(*)C(=O)Nc1ccc(Cl)cc1,,,,,28.732142,13.070483,1.263471,,1.602412,,3.245034,,,
*CC(*)C(=O)Nc1cccc(Cl)c1,,,,,28.894391,11.83255,1.25699,,1.594808,,3.263359,,,
*CC(*)C(=O)Nc1ccccc1C(=O)O,,,,,25.426811,11.942067,1.220031,,1.568629,,2.871727,,,
*CC(*)C(=O)Nc1ccccc1Cl,,,,,24.493392,12.570983,1.215117,,1.56416,,2.766306,,,
*CC(*)C(=O)O,0.215,6.112,2.828,,27.756572,15.9756,1.279006,7.35,1.496446,0.3,3.134852,1.33E-07,,
*CC(*)C(=O)OC,0.214,2.659,1.747,,23.023319,15.062867,1.084524,4.299,1.433165,0.231,2.600275,1.44E-07,,
*CC(*)C(=O)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F,,,,,16.761001,13.3943,1.504465,,1.295007,,1.893003,,,
*CC(*)C(=O)OC(C(F)(F)F)C(F)(F)F,,,,,18.241069,14.621683,1.452354,,1.328533,,2.060163,,,
*CC(*)C(=O)OC(C)(C)C,,,,,21.834494,12.568133,0.910972,,1.391242,,2.466008,,,
*CC(*)C(=O)OC(C)C,,,,,21.373395,14.42995,0.930196,,1.412245,,2.413931,,,
*CC(*)C(=O)OC(C)CC,,,,,,12.287867,0.92107,,,,,,,
*CC(*)C(=O)OC(C)CC(C)C,0.215,3.821,1.732,,,11.11375504,,4.514,,0.303,,,,
*CC(*)C(=O)OC(C)CCC(CC)CCCC,0.212,4.037,1.423,,,10.36326711,,3.82,,0.342,,,,
*CC(*)C(=O)OC(C)CCCCC,0.228,3.625,1.37,,,11.17976548,,3.65,,0.332,,,,
*CC(*)C(=O)OC(C)CCCCCC,0.257,4.144,1.664,,,11.2218737,,4.403,,0.323,,,,
*CC(*)C(=O)OC(CC)CC,0.222,3.255,1.723,,,12.41393583,,4.394,,0.275,,,,
*CC(*)C(=O)OC(CCC(CC)CCCC)CC(C)C,0.238,3.842,1.557,,18.952581,9.547725,0.85674,4.115,1.413305,0.321,2.140522,1.67E-07,,
*CC(*)C(=O)OC(F)(C(F)(F)Cl)C(F)(F)Cl,,,,,17.994225,14.319,1.506306,,1.362549,,2.032284,,,
*CC(*)C(=O)OC(F)(C(F)(F)F)C(F)(F)Cl,,,,,17.52217,14.42065,1.506872,,1.333495,,1.97897,,,
*CC(*)C(=O)OC(F)(C(F)(F)F)C(F)(F)F,0.121,2.852,2.508,,18.10982,13.984767,1.477864,5.818,1.311191,0.16,2.045339,7.13E-08,,
*CC(*)C(=O)OC(OCC)C(F)(F)F,,,,,20.880715,11.91795,1.218361,,1.367737,,2.358287,,,
*CC(*)C(=O)OC([2H])([2H])[2H],,,,,26.706163,13.07935,1.076036,,1.431635,,3.016218,,,
*CC(*)C(=O)OC12CC3CC(C)(CC(C)(C3)C1)C2,0.171,6.724,3.691,,18.972581,10.095747,0.940477,9.36,1.417509,0.268,2.14278,1.22E-07,,
*CC(*)C(=O)OC1CC(C)CC(C)(C)C1,0.216,3.477,1.519,,,11.78379961,,3.978,,0.309,,,,
*CC(*)C(=O)OC1CC2CCC1(C)C2(C)C,,,,,,10.367395,0.91874,,,,,,,
*CC(*)C(=O)OC1CCCCC1,0.199,3.765,1.642,,,11.16519036,,4.301,,0.31,,,,
*CC(*)C(=O)OC1CCCCCCCCCCC1,,,,,,10.229193,0.91734,,,,,,,
*CC(*)C(=O)OCC,0.234,3.438,1.758,,,14.48303439,,4.506,,0.282,,,,
*CC(*)C(=O)OCC(C)(C)C,0.212,3.084,1.188,,,13.30665929,,3.158,,0.329,,,,
*CC(*)C(=O)OCC(C)CC,0.227,3.594,1.419,,,13.54986722,,3.762,,0.326,,,,
*CC(*)C(=O)OCC(C)CCC,0.212,3.553,1.65,,,12.10743643,,4.286,,0.299,,,,
*CC(*)C(=O)OCC(C)O,,,,,30.963925,11.842567,1.097292,,1.4396,,3.497094,,,
*CC(*)C(=O)OCC(CC)CC,0.207,3.571,1.628,,,12.27591848,,4.24,,0.302,,,,
*CC(*)C(=O)OCC(CC)CCCC,0.241,3.465,1.388,,,10.99379023,,3.673,,0.323,,,,
*CC(*)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,,,,,12.985167,1.588605,,,,,,,
*CC(*)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,,,,18.80967,12.458,1.57061,,1.323305,,2.124381,,,
*CC(*)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,,,,,13.5092,1.51238,,,,,,,
*CC(*)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F,,,,,20.18341,13.608367,1.507283,,1.335037,,2.279533,,,
*CC(*)C(=O)OCC(F)(F)C(F)(F)C(F)(F)F,,,,,,14.948183,1.468124,,,,,,,
*CC(*)C(=O)OCC(F)(F)C(F)(F)F,,,,,,14.696583,1.419662,,,,,,,
*CC(*)C(=O)OCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.086,,,,17.113717,12.051333,1.586595,,1.31132,,1.932839,5.12E-08,,
*CC(*)C(=O)OCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F,,,,,17.506278,12.8789,1.541703,,1.307978,,1.977175,,,
*CC(*)C(=O)OCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F,,,,,18.592833,12.883633,1.519909,,1.325128,,2.099891,,,
*CC(*)C(=O)OCC(F)(F)C(F)(F)OC(F)(F)F,,,,,,13.1763,1.504044,,,,,,,
*CC(*)C(=O)OCC(F)(F)C(F)C(F)(F)F,,,,,22.748979,13.3313,1.447872,,1.350055,,2.56929,,,
*CC(*)C(=O)OCC(F)(F)F,,,,,27.088579,14.028267,1.308559,,1.368474,,3.059409,,,
*CC(*)C(=O)OCCC,,,,,,13.55385,0.967371,,,,,,,
*CC(*)C(=O)OCCC#N,0.183,4.473,2.102,,32.892522,13.155817,1.106462,5.452,1.445411,0.297,3.714911,1.36E-07,,
*CC(*)C(=O)OCCC(C)C,0.219,3.339,1.642,,,11.86917301,,4.232,,0.289,,,,
*CC(*)C(=O)OCCC(C)OC,0.212,3.688,1.68,,,13.18729468,,4.376,,0.302,,,,
*CC(*)C(=O)OCCCC,0.208,3.727,1.603,,,12.71172021,,4.206,,0.312,,,,
*CC(*)C(=O)OCCCCCC,0.258,3.876,1.618,,,11.92379481,,4.261,,0.317,,,,
*CC(*)C(=O)OCCCCCC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1,0.241,5.783,2.593,,,12.97526971,,6.768,,0.305,,,,
*CC(*)C(=O)OCCCCCCC,,,,,,11.526667,0.907328,,,,,,,
*CC(*)C(=O)OCCCCCCCC,,,,,,11.349917,0.893579,,,,,,,
*CC(*)C(=O)OCCCCCCCCC,0.276,4.209,1.612,,,10.93715508,,4.289,,0.33,,,,
*CC(*)C(=O)OCCCCCCCCCCCCCC,0.33,4.162,1.358,,19.17232,11.385917,0.86701,3.674,1.423585,0.353,2.165339,2.22E-07,,
*CC(*)C(=O)OCCCCCCCCCCCCCCCC,0.295,4.578,1.532,,20.246562,12.080183,0.864669,4.135,1.424063,0.349,2.286665,2.50E-07,,
*CC(*)C(=O)OCCCCCCCCCCCCCCCCCC,0.342,4.302,1.356,,19.19725,12.659667,0.858645,3.681,1.430306,0.357,2.168155,2.61E-07,,
*CC(*)C(=O)OCCCCCCCCCCCCCCCCCCCCCC,0.323,4.52,1.42,,,13.56836556,,3.856,,0.358,,,,
*CC(*)C(=O)OCCCCCCCCCCOc1ccc(C(=O)O)cc1,0.259,,,,,12.58272984,1.035964019,,,,,1.79E-07,,
*CC(*)C(=O)OCCCCCCCCCCOc1cccc(C(=O)O)c1,0.276,,,,,12.23319236,1.034178171,,,,,1.91E-07,,
*CC(*)C(=O)OCCCCCCCCCCOc1ccccc1C(=O)O,0.232,,,,,12.68806035,1.027192126,,,,,1.62E-07,,
*CC(*)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1,0.201,4.984,2.211,,25.795428,14.13005,1.108722,5.779,1.541383,0.307,2.913359,1.64E-07,,
*CC(*)C(=O)OCCCCCCSCC#N,0.218,4.883,1.575,,46.205714,11.919467,1.068755,4.266,1.469822,0.354,5.218515,1.48E-07,,
*CC(*)C(=O)OCCCCSC,0.173,4.648,1.868,,,12.27513461,,4.942,,0.323,,,,
*CC(*)C(=O)OCCCOC,,,,,39.203371,13.399865,1.043544,,1.448092,,4.427664,,,
*CC(*)C(=O)OCCCOCC,,,,,,13.3823,1.001033,,,,,,,
*CC(*)C(=O)OCCCSC,0.209,4.686,2.051,,,12.36347326,,5.37,,0.309,,,,
*CC(*)C(=O)OCCCSCC,0.228,5.082,2.213,,,13.79806606,,5.797,,0.31,,,,
*CC(*)C(=O)OCCCSCCC#N,0.225,5.428,2.042,,45.152421,12.019948,1.129948,5.443,1.483582,0.333,5.099555,1.47E-07,,
*CC(*)C(=O)OCCN(CC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1,0.207,6.41,2.666,,,12.43938389,,7.024,,0.317,,,,
*CC(*)C(=O)OCCO,,,,,39.20534,14.66155,1.101698,,1.449133,,4.427887,,,
*CC(*)C(=O)OCCOC,,,,,37.425496,14.313717,1.079646,,1.441608,,4.226869,,,
*CC(*)C(=O)OCCOC(F)(F)C(F)F,,,,,28.412702,13.664567,1.35274,,1.37963,,3.208956,,,
*CC(*)C(=O)OCCOCC,,,,,,13.75555,1.03618,,,,,,,
*CC(*)C(=O)OCCOCC(F)(F)C(F)(F)C(F)(F)F,,,,,24.837242,12.1927,1.425924,,1.361097,,2.805141,,,
*CC(*)C(=O)OCCOCC(F)(F)F,,,,,28.722711,13.0781,1.302745,,1.397189,,3.243969,,,
*CC(*)C(=O)OCCOCCOC(F)(F)C(F)F,,,,,,12.619783,1.301873,,,,,,,
*CC(*)C(=O)OCCOc1ccc(C(C)(C)c2ccc(OCCO)cc2)cc1,0.252,,,,,11.79282636,1.080405084,,,,,1.86E-07,,
*CC(*)C(=O)OCCSC,0.181,4.238,1.853,,,15.7280871,,4.852,,0.309,,,,
*CC(*)C(=O)OCCSCC,0.224,4.111,1.933,,,14.51100233,,5.013,,0.297,,,,
*CC(*)C(=O)OCCSCC#N,0.171,4.568,1.813,,78.665896,12.738583,1.206267,4.804,1.498222,0.325,8.884598,1.22E-07,,
*CC(*)C(=O)OCCSCCC#N,0.199,4.797,2.148,,,13.24819081,,5.607,,0.305,,,,
*CC(*)C(=O)OCCSCCCC#N,0.167,4.785,1.656,,,12.35091595,,4.454,,0.345,,,,
*CC(*)C(=O)OCCc1ccccc1,0.191,4.151,2.202,,,12.57995644,,5.613,,0.275,,,,
*CC(*)C(=O)OCF,,,,,28.009611,17.4193,1.209632,,1.413312,,3.163431,,,
*CC(*)C(=O)OCc1c(Br)c(Br)c(Br)c(Br)c1Br,,,,,,13.509533,2.295456,,,,,,,
*CC(*)C(=O)OCc1ccc(C#N)cc1,0.186,6.351,3.31,,31.467767,12.36695,1.135757,8.46,1.551088,0.278,3.553998,1.39E-07,,
*CC(*)C(=O)OCc1ccc(OC(=O)OC(C)(C)C)cc1,0.208,,,,22.822834,11.937033,1.046245,,1.448553,,2.577632,1.57E-07,,
*CC(*)C(=O)OCc1ccccc1,0.201,4.632,2.167,,,13.15993394,,5.624,,0.298,,,,
*CC(*)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,0.091,4.189,1.802,,21.352618,14.257067,1.468418,4.728,1.525155,0.312,2.411584,6.47E-08,,
*CC(*)C(=O)Oc1c(F)c(F)c(F)c(F)c1F,,,,,19.297128,13.394617,1.451636,,1.421792,,2.179435,,,
*CC(*)C(=O)Oc1ccc(-c2ccccc2)cc1,0.195,4.358,2.621,,,11.54820166,,6.55,,0.25,,,,
*CC(*)C(=O)Oc1ccc(/N=N/c2ccc(OC)cc2)cc1,0.217,,,,,12.76865089,1.127475205,,,,,,,
*CC(*)C(=O)Oc1ccc(C#N)cc1,0.175,4.614,2.65,,33.729982,12.923017,1.169226,6.673,1.554579,0.259,3.809495,1.43E-07,,
*CC(*)C(=O)Oc1ccc(C(=O)O)cc1,,,,,24.305498,13.41425,1.225513,,1.534748,,2.745085,,,
*CC(*)C(=O)Oc1ccc(C(=O)OC)cc1,,,,,28.848216,11.881767,1.141789,,1.509158,,3.258144,,,
*CC(*)C(=O)Oc1ccc(C(=O)OCC)cc1,,,,,23.548237,13.3953,1.121637,,1.499409,,2.659559,,,
*CC(*)C(=O)Oc1ccc(C(=O)OCCCC)cc1,0.224,3.673,1.85,,22.944174,12.000517,1.073515,4.752,1.495502,0.284,2.591336,1.69E-07,,
*CC(*)C(=O)Oc1ccc(C(=O)OCc2ccccc2)cc1,0.217,,,,24.238152,11.647567,1.141952,,1.549202,,2.737479,1.66E-07,,
*CC(*)C(=O)Oc1ccc(C(C)(C)C)cc1,0.224,4.102,1.746,,,10.3213082,,4.587,,0.314,,,,
*CC(*)C(=O)Oc1ccc(C)cc1,0.198,3.764,2.474,,,13.5752804,,6.088,,0.23,,,,
*CC(*)C(=O)Oc1ccc(Cl)c(C)c1,0.163,,,,,14.0820366,1.15850573,,,,,1.28E-07,,
*CC(*)C(=O)Oc1ccc(Cl)cc1,0.145,3.7,2.441,,,14.07962276,,6.003,,0.23,,,,
*CC(*)C(=O)Oc1ccc(Cl)cc1Cl,0.112,4.027,1.775,,,15.04038649,,4.643,,0.308,,,,
*CC(*)C(=O)Oc1ccc(OC)cc1,0.221,4.009,1.816,,23.8224,12.8281,1.127566,4.733,1.522239,0.303,2.690523,1.54E-07,,
*CC(*)C(=O)Oc1ccc([N+](=O)[O-])cc1,,,,,30.669798,13.727933,1.284056,,1.557007,,3.463875,,,
*CC(*)C(=O)Oc1ccc2c(C)cc(=O)oc2c1,,,,,26.217416,11.712133,1.204917,,1.574362,,2.961019,,,
*CC(*)C(=O)Oc1cccc(C(=O)OC)c1,,,,,24.679225,12.088117,1.150553,,1.516516,,2.787294,,,
*CC(*)C(=O)Oc1cccc(C(=O)OCC)c1,,,,,23.550149,12.476083,1.116718,,1.498033,,2.659775,,,
*CC(*)C(=O)Oc1cccc(C)c1,0.209,3.953,1.311,,22.705027,12.41185,1.070877,3.541,1.507168,0.351,2.564326,1.58E-07,,
*CC(*)C(=O)Oc1cccc(N(C)C)c1,0.217,4.676,1.623,,,12.53190731,,4.364,,0.344,,,,
*CC(*)C(=O)Oc1cccc2ccccc12,0.179,4.421,2.051,,24.044381,10.91015,1.138359,5.329,1.590677,0.299,2.715594,1.35E-07,,
*CC(*)C(=O)Oc1ccccc1,0.201,4.3,2.692,,23.579163,12.827483,1.122577,6.682,1.535444,0.241,2.663052,1.50E-07,,
*CC(*)C(=O)Oc1ccccc1-c1ccccc1,0.179,,,,22.604908,11.480617,1.08016,,1.553199,,2.553019,1.48E-07,,
*CC(*)C(=O)Oc1ccccc1C,0.158,4.828,1.884,,,12.7374634,,5.001,,0.327,,,,
*CC(*)C(=O)Oc1ccccc1C(=O)OC,,,,,25.756785,13.309083,1.145829,,1.501663,,2.908995,,,
*CC(*)C(=O)Oc1ccccc1C(=O)OCC,,,,,,12.73275,1.125675,,,,,,,
*CC(*)C(=O)Oc1ccccc1C(C)(C)C,0.18,2.377,1.504,,,11.30667741,,3.726,,0.239,,,,
*CC(*)C(=O)Oc1ccccc1Cl,0.168,4.184,1.328,,23.647442,12.452483,1.22199,3.603,1.523708,0.356,2.670764,1.29E-07,,
*CC(*)C(=O)SC(C)C,,,,,20.848771,11.7413,0.996479,,1.465174,,2.354679,,,
*CC(*)C(=O)SCC(C)C,,,,,21.165508,12.426667,1.009966,,1.481525,,2.390452,,,
*CC(*)C(=O)SCCC,,,,,21.65863,13.1041,1.033003,,1.491604,,2.446145,,,
*CC(*)C(=O)c1ccc(Br)c(OC)c1,,,,,,12.4409,0.178112,,,,,,,
*CC(*)C(=O)c1ccc(Br)cc1,0.133,6.523,3.577,,,14.82967104,,9.073,,0.268,,,0.000202314,0.020027057
*CC(*)C(=O)c1ccc(C(C)(C)C)cc1,0.197,4.154,1.622,453.12,,10.58961551,,4.306,,0.327,,,2.00E-05,0.007545825
*CC(*)C(=O)c1ccc(C)cc1,0.208,5.315,2.916,399.96,,11.41539018,,7.396,,0.268,,,8.35E-08,0.018991407
*CC(*)C(=O)c1ccc(CC)cc1,0.199,5.136,2.531,,,11.50505212,0.997864532,6.522,,0.288,,1.61E-07,2.35E-06,0.022765488
*CC(*)C(=O)c1ccc(Cl)cc1,,,,,24.582911,13.773767,1.213015,,1.566202,,2.776416,,0.025649451,0.011289039
*CC(*)C(=O)c1ccc(OC)cc1,,,,,,12.305233,1.091046,,,,,,5.86E-05,0.025925329
*CC(*)C(=O)c1ccc(OCC)cc1,0.197,,,,,11.90550506,1.043726218,,,,,1.54E-07,,
*CC(*)C(=O)c1ccccc1,,,,,,13.760383,1.061882,,,,,,0.014206184,0.009672681
*CC(*)C(=O)c1ccccc1O,0.144,4.454,2.219,,24.568512,12.12835,1.108721,5.709,1.541684,0.286,2.77479,1.20E-07,,
*CC(*)C(=O)n1c2ccccc2c2ccccc21,,,,,25.1467,11.747217,1.126327,,1.628761,,2.840091,,,
*CC(*)C(C)(C)C,0.121,,,,,,,,,,,,,
*CC(*)C(C)=O,0.18,3.319,1.521,366.77,26.892497,15.9419,0.998893,3.958,1.463365,0.301,3.037263,1.32E-07,5.81E-07,0.012071722
*CC(*)C(C)C,0.177,3.293,1.249,410.13,17.710604,11.598067,0.74967,3.326,1.40139,0.332,2.000252,1.50E-07,8.06E-06,0.024836403
*CC(*)C(C)C(F)(F)F,,,,,17.54716,11.586667,1.131447,,1.351512,,1.981792,,,
*CC(*)C(C)CC,0.192,3.54,1.405,,18.260032,13.2023,0.76326,3.723,1.418416,0.325,2.062305,1.46E-07,,
*CC(*)C(C)c1ccccc1,0.148,,,,20.119857,11.973067,0.891631,,1.493396,,2.272355,1.29E-07,,
*CC(*)C(CC)CC,0.176,,,,17.65595,12.515467,0.756767,,1.401545,,1.994079,1.45E-07,,
*CC(*)C(F)(F)C(F)(F)C(F)(F)F,,,,,14.572215,13.45985,1.405516,,1.263067,,1.645799,,0.001210237,0.023519439
*CC(*)C(F)(F)C(F)(F)F,,,,,15.677437,15.013083,1.110543,,1.289556,,1.770624,,0.002945779,0.010798227
*CC(*)C(F)(F)F,,,,,17.673038,17.130017,1.377964,,1.341882,,1.996009,,0.000248015,0.010026737
*CC(*)C(N)=O,,,,,35.156057,15.018617,1.179487,,1.560813,,3.970557,,,
*CC(*)C1=CC=CC=C1,0.214,3.542,2.899,,,,,6.833,,0.178,,,,
*CC(*)C1=CC=NC=C1,0.162,3.588,1.543,,,,,4.049,,0.312,,,,
*CC(*)C1=NCCN1,,,,,34.560451,14.600967,1.106626,,1.535806,,3.903289,,,
*CC(*)C1CC1,0.172,3.639,1.479,,,14.17497209,,3.908,,0.321,,,,
*CC(*)C1CC=CCC1,0.178,1.807,1.759,,19.11731,12.090183,0.856034,3.984,1.459469,0.133,2.159126,1.34E-07,,
*CC(*)C1CCC(C)CC1,0.202,,,,17.711712,11.345357,0.794102,,1.408661,,2.000377,1.53E-07,,
*CC(*)C1CCC1,0.216,,,,18.638717,11.689747,0.836758,,1.443017,,2.105074,1.55E-07,,
*CC(*)C1CCCC(C)C1,0.19,,,,17.057637,11.579067,0.750265,,1.382156,,1.926505,1.46E-07,,
*CC(*)C1CCCC1,0.207,,,,18.611043,11.93478,0.846794,,1.441597,,2.101948,1.45E-07,,
*CC(*)C1CCCCC1,0.203,,,,17.588254,11.343972,0.775212,,1.404348,,1.986433,1.48E-07,,
*CC(*)C1CCCCC1C,,,,,17.863149,11.21299,0.792233,,1.41463,,2.01748,,,
*CC(*)C1CCCCCC1,,,,,17.83554,11.265033,0.817161,,1.412315,,2.014362,,,
*CC(*)C=C,,,,,,,,,,,,,0.000508293,0.015886318
*CC(*)C=C(C)C,0.198,3.295,0.948,,19.1764,15.449567,0.789615,2.595,1.4577,0.369,2.1658,1.56E-07,,
*CC(*)C=O,0.231,5.496,2.553,,,19.22062685,,6.632,,0.299,,,,
*CC(*)CC,0.236,3.255,1.259,339.16,18.809521,14.71795,0.793252,3.346,1.445699,0.329,2.124364,1.65E-07,6.18E-06,0.016854611
*CC(*)CC(C)(C)C,0.147,1.814,1.354,,17.817529,10.485262,0.751277,3.253,1.407737,0.201,2.012328,1.38E-07,2.23E-06,0.016768636
*CC(*)CC(C)(C)CC,0.185,,,,18.448446,10.515062,0.786138,,1.430521,,2.083584,1.40E-07,,
*CC(*)CC(C)C,0.214,2.961,1.315,373.8,17.812693,12.55745,0.755725,3.436,1.407541,0.307,2.011782,1.61E-07,1.70E-06,0.012153146
*CC(*)CC(C)C(F)(F)F,0.153,2.831,1.965,,20.557388,12.655583,1.080279,4.787,1.355044,0.218,2.32177,1.03E-07,,
*CC(*)CC(C)CC,0.19,2.774,1.329,,18.059037,11.548175,0.77309,3.438,1.417386,0.293,2.039604,1.52E-07,,
*CC(*)CC(CC)CC,0.23,,,,18.106693,11.758083,0.77726,,1.416039,,2.044986,1.63E-07,,
*CC(*)CC(F)(F)F,,,,,21.664076,14.59945,1.274531,,1.360959,,2.44676,,,
*CC(*)CC1CCCC1,0.239,,,,18.449122,11.734367,0.827962,,1.435729,,2.083661,1.66E-07,,
*CC(*)CC1CCCCC1,0.203,3.834,1.8,,17.335609,12.303172,0.775023,4.669,1.392468,0.297,1.957899,1.73E-07,6.02E-07,0.045404783
*CC(*)CCC,0.26,2.986,1.115,302.57,18.206978,12.377767,0.771746,2.975,1.421135,0.334,2.056313,1.83E-07,3.80E-05,0.012134523
*CC(*)CCC(C)(C)C,0.194,,,,17.791749,11.088725,0.752314,,1.407693,,2.009416,1.51E-07,,
*CC(*)CCC(C)C,0.227,3.28,1.454,,18.294203,12.515367,0.788095,3.8,1.423667,0.307,2.066164,1.59E-07,,
*CC(*)CCC(C)C=C(C)C,,,,,18.542063,10.979275,0.802134,,1.434606,,2.094157,,,
*CC(*)CCC(C)CC,0.229,3.735,1.769,,18.450066,11.77815,0.78241,4.583,1.423341,0.295,2.083767,1.69E-07,,
*CC(*)CCC(F)(F)F,,,,,20.621233,13.225717,1.170542,,1.35897,,2.328981,,,
*CC(*)CCC1CCCCC1,0.212,,,,18.428226,11.3234,0.834118,,1.43741,,2.081301,1.54E-07,,
*CC(*)CCCC,0.225,2.952,1.354,183.31,18.084555,12.380583,0.777867,3.523,1.418579,0.301,2.042486,1.69E-07,3.14E-06,0.046663078
*CC(*)CCCC(C)(C)C,0.207,,,,18.21382,10.731352,0.775292,,1.426178,,2.057085,1.63E-07,,
*CC(*)CCCC(C)C,0.257,,,,18.68884,11.042817,0.795386,,1.4327,,2.110735,1.87E-07,,
*CC(*)CCCC1CCCCC1,0.248,,,,18.766095,10.741993,0.849821,,1.449432,,2.11946,1.70E-07,,
*CC(*)CCCCC,0.244,2.986,1.307,225.18,18.400764,11.76145,0.785613,3.422,1.43211,0.309,2.078199,1.86E-07,1.33E-06,0.026920192
*CC(*)CCCCCC,0.241,,,,18.113421,11.780853,0.785903,,1.422641,,2.045746,1.71E-07,,
*CC(*)CCCCCCC,0.292,3.522,1.333,265.43,18.486995,11.223267,0.788502,3.551,1.433139,0.332,2.087938,1.91E-07,7.16E-08,0.025428657
*CC(*)CCCCCCCC,0.302,3.809,1.326,249.82,18.181612,10.794483,0.792168,3.564,1.421428,0.344,2.053448,2.03E-07,6.25E-07,0.035939426
*CC(*)CCCCCCCCC,0.33,3.934,1.312,,18.301158,10.730067,0.797429,3.542,1.42268,0.35,2.066949,2.25E-07,,
*CC(*)CCCCCCCCCC,0.362,3.622,1.142,236.21,18.475042,11.121967,0.799882,3.1,1.430412,0.357,2.086588,2.33E-07,2.65E-06,0.018099523
*CC(*)CCCCCCCCCCC,0.326,3.972,1.309,,18.56378,11.010973,0.799381,3.538,1.432152,0.352,2.09661,2.27E-07,,
*CC(*)CCCCCCCCCCCC,0.321,3.945,1.388,272.23,18.572518,11.344717,0.800246,3.727,1.430601,0.343,2.097597,2.37E-07,9.15E-06,0.015738018
*CC(*)CCCCCCCCCCCCC,0.348,4.292,1.394,,18.178434,12.100083,0.802192,3.773,1.425577,0.353,2.053089,2.36E-07,,
*CC(*)CCCCCCCCCCCCCC,0.394,4.164,1.549,285.48,18.673993,11.725483,0.803723,4.134,1.421988,0.335,2.109058,2.37E-07,6.36E-07,0.019997817
*CC(*)CCCCCCCCCCCCCCCC,0.365,4.422,1.302,,18.351577,12.270483,0.803998,3.557,1.423657,0.366,2.072644,2.60E-07,,
*CC(*)CCCCCCCCCCCCCCCCCC,0.381,,,,18.643785,13.347717,0.808062,,1.43107,,2.105646,2.63E-07,,
*CC(*)CCCCCCCCCCCCCCCCCCCC,0.371,4.542,1.278,,,,,3.505,,0.371,,,,
*CC(*)CCCN(CC(C)C)CC(C)C,0.229,3.884,1.99,,18.546462,9.881512,0.810825,5.099,1.41956,0.281,2.094654,1.44E-07,,
*CC(*)CCc1ccc(C)cc1,0.224,4.701,2.522,,21.026853,10.887435,0.932787,6.418,1.530203,0.272,2.374792,1.74E-07,,
*CC(*)CCc1ccccc1,0.188,,,,21.523285,12.4181,0.961292,,1.54464,,2.430859,1.40E-07,,
*CC(*)CCc1ccccc1C,0.217,4.243,1.454,,21.272152,12.207177,0.943588,3.915,1.535415,0.346,2.402496,1.67E-07,,
*CC(*)CN,,,,,31.626562,12.5523,1.015207,,1.540765,,3.571933,,,
*CC(*)CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,0.188,3.764,1.933,,29.746509,12.0621,1.316022,4.951,1.515994,0.281,3.359598,1.29E-07,3.37E-07,0.013773679
*CC(*)CNc1ccc([N+](=O)[O-])cc1,0.236,4.461,2.079,,,13.23567458,,5.398,,0.298,,,8.76E-06,0.010398344
*CC(*)CNc1ccc([N+](=O)[O-])cc1C,0.209,5.222,2.203,,,11.19509723,,5.794,,0.315,,,7.05E-07,0.013812
*CC(*)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],0.182,5.656,2.166,,,12.02783893,,5.762,,0.33,,,2.53E-06,0.010178577
*CC(*)CNc1ccc([N+](=O)[O-])cn1,0.196,4.174,1.873,310.2,28.326094,12.561317,1.237584,4.888,1.604077,0.305,3.199175,,7.59E-07,0.006196427
*CC(*)CO,,,,,34.557285,14.4673,1.078848,,1.511712,,3.902931,,,
*CC(*)Cc1cc(C)cc(C)c1,0.175,3.367,1.889,,20.654766,11.770117,0.90402,4.774,1.516292,0.264,2.332768,1.41E-07,,
*CC(*)Cc1cc(C)ccc1C,0.181,4.38,2.705,,19.87478,12.07805,0.876568,6.73,1.487631,0.244,2.244676,1.51E-07,,
*CC(*)Cc1ccc(C)c(C)c1,0.19,2.893,1.478,,20.65187,11.1822,0.911055,3.789,1.516246,0.282,2.332441,1.52E-07,,
*CC(*)Cc1ccc(C)cc1,,,,,20.071353,11.51215,0.889193,,1.49331,,2.266877,,,
*CC(*)Cc1cccc(C)c1,,,,,20.691392,12.461683,0.922845,,1.515912,,2.336905,,,
*CC(*)Cc1ccccc1,0.205,,,,21.290115,12.712233,0.952609,,1.535412,,2.404525,1.60E-07,,
*CC(*)Cc1ccccc1C,,,,,21.021134,11.811267,0.931582,,1.525928,,2.374146,,,
*CC(*)Cl,0.139,4.04,1.42,,24.228501,19.194583,1.265058,3.813,1.495569,0.343,2.736389,1.14E-07,,
*CC(*)N,,,,,40.558499,16.9073,1.130167,,1.619131,,4.580714,,,
*CC(*)N1CCCC1=O,0.195,4.222,1.995,,,13.40640116,,5.171,,0.296,,,2.52E-06,0.008907742
*CC(*)N1CCCC1=S,,,,,19.92004,12.525525,0.699246,,1.326255,,2.249787,,,
*CC(*)N1CCCCCC1=O,,,,,20.724184,12.89815,0.958353,,1.427437,,2.340608,,,
*CC(*)NC(=O)OC(C)(C)C,,,,,,11.352183,0.941515,,,,,,0.04536013,0.015601895
*CC(*)NC=O,,,,,30.364769,16.124783,1.181309,,1.511978,,3.429425,,,
*CC(*)O,0.388,5.333,2.15,363.19,32.497393,22.786317,1.046556,5.686,1.476522,0.322,3.670285,3.17E-07,4.64E-06,0.013334801
*CC(*)OC,0.24,3.777,1.634,263.77,,18.16563499,,4.284,,0.311,,,2.18E-07,0.021109391
*CC(*)OC(=C)C1CCCCC1,0.216,,,,,,,,,,,,,
*CC(*)OC(=O)/C=C/c1ccccc1,0.2,,,,24.93892,12.67955,1.089628,,1.596609,,2.816624,1.52E-07,2.54E-07,0.011726629
*CC(*)OC(=O)C(C)(C(C)C)C(C)C,,,,,,10.33966,0.861778,,,,,,2.74E-05,0.015826661
*CC(*)OC(=O)C(C)(C)C(C)(C)CC,,,,,,10.826962,0.891119,,,,,,0.004996654,0.011898636
*CC(*)OC(=O)C(C)(C)C(C)C(C)C,,,,,,10.365138,0.877138,,,,,,0.011987579,0.009289028
*CC(*)OC(=O)C(C)(C)CC(C)(C)C,,,,,,10.762558,0.870392,,,,,,0.004942196,0.026322266
*CC(*)OC(=O)C(C)(C)CCC,,,,,,11.198917,0.886766,,,,,,0.064001715,0.021652143
*CC(*)OC(=O)C(C)(CC)C(C)(C)C,,,,,,10.420742,0.862165,,,,,,0.026704283,0.012781658
*CC(*)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,,,,,12.753433,1.64632,,,,,,0.001044715,0.012610936
*CC(*)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,,,,,13.25145,1.611984,,,,,,0.000171087,0.038393593
*CC(*)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,,,,16.642945,12.672233,1.593952,,1.309156,,1.879669,,0.000378435,0.011058184
*CC(*)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,,,,,15.2567,1.538867,,,,,,0.002934005,0.009967748
*CC(*)OC(=O)C(F)(F)C(F)(F)C(F)(F)F,,,,,17.569327,14.297833,1.51718,,1.322917,,1.984296,,0.000226749,0.021851183
*CC(*)OC(=O)C(F)(F)C(F)(F)F,,,,,,15.4911,1.481215,,,,,,0.003163601,0.010150125
*CC(*)OC(=O)C(F)(F)F,,,,,,18.41405,1.380878,,,,,,2.78E-05,0.017857373
*CC(*)OC(=O)C1(C)CCCCC1,,,,,,13.043,0.971367,,,,,,0.039954814,0.026925881
*CC(*)OC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,0.086,2.645,1.055,406.25,17.035395,12.985267,1.584728,2.794,1.310701,0.324,1.923993,5.65E-08,4.90E-07,0.017245779
*CC(*)OC(=O)C1=CC=CC=C1,0.165,,,,,,,,,,,,,
*CC(*)OC(=O)C1CCCC1,,,,,,11.9826,1.003272,,,,,,0.017672147,0.026337249
*CC(*)OC(=O)C1CCCCC1,,,,,,12.347333,0.970965,,,,,,0.039622405,0.018219789
*CC(*)OC(=O)CC,0.2,3.43,1.589,296.05,,13.65651084,,4.129,,0.299,,,4.30E-07,0.046926225
*CC(*)OC(=O)CC(C)(C)c1ccccc1,,,,,,11.107847,1.013548,,,,,,0.005302591,0.017963438
*CC(*)OC(=O)CC(C)=O,,,,,29.738139,11.99635,1.093872,,1.428435,,3.358652,,,
*CC(*)OC(=O)CC1CCCC1,0.22,5.02,1.636,,,11.44787087,,4.427,,0.353,,,8.01E-08,0.016963766
*CC(*)OC(=O)CC1CCCCC1,,,,,,11.82495,0.981481,,,,,,0.027657853,0.053169171
*CC(*)OC(=O)CCC#N,,,,,37.215001,14.87215,1.115923,,1.451705,,4.203096,,,
*CC(*)OC(=O)CCCC(=O)c1ccccc1,,,,,,12.3792,1.091905,,,,,,0.009854307,0.015434507
*CC(*)OC(=O)CCCC1CCCCC1,,,,,,10.729163,0.950685,,,,,,0.03701296,0.014320899
*CC(*)OC(=O)CCCCCCCCCCC,0.265,4.116,1.14,,,11.41661966,,3.131,,0.373,,,,
*CC(*)OC(=O)CCCCCCCCCCCCCCC,0.337,3.97,1.151,,19.10108,12.124933,0.866106,3.149,1.429332,0.368,2.157293,2.17E-07,,
*CC(*)OC(=O)CCCCCCCCCCCCCCCCC,0.349,4.349,1.23,,,12.659383,0.86164,3.372,,0.371,,2.10E-07,,
*CC(*)OC(=O)CCCCCCCCCCCCCCCCCCCCC,0.337,4.584,1.359,,,13.69025537,,3.71,,0.365,,,,
*CC(*)OC(=O)CCl,,,,,,16.1916,1.267981,,,,,,0.0182843,0.017307231
*CC(*)OC(=O)OC([2H])([2H])[2H],,,,,20.672793,12.654133,1.13509,,1.417034,,2.334804,,,
*CC(*)OC(=O)OCC(F)(F)F,,,,,23.671725,14.82735,1.388534,,1.36627,,2.673506,,,
*CC(*)OC(=O)c1ccc(Br)cc1,,,,,,14.806133,1.482209,,,,,,0.086813983,0.020199006
*CC(*)OC(=O)c1ccc(C#N)cc1,0.179,4.595,2.238,,32.300161,13.359283,1.146164,5.776,1.551576,0.29,3.648009,1.42E-07,,
*CC(*)OC(=O)c1ccc(C(C)(C)C)cc1,,,,,,,,,,,,,0.029023338,0.007467346
*CC(*)OC(=O)c1ccc(C(C)C)cc1,,,,,,,,,,,,,0.026055317,0.00364707
*CC(*)OC(=O)c1ccc(C)cc1,,,,,,12.205917,1.05479,,,,,,0.005764164,0.006607417
*CC(*)OC(=O)c1ccc(CC)cc1,,,,,23.114486,12.394333,1.026324,,1.513573,,2.610571,,0.054974977,0.011969841
*CC(*)OC(=O)c1ccc(Cl)cc1,,,,,25.170861,15.039317,1.238066,,1.567814,,2.84282,,0.053150125,0.011647052
*CC(*)OC(=O)c1ccc(OC(=O)CCC)cc1,0.22,2.807,1.88,273.42,30.734755,11.946767,1.090773,4.611,1.492039,0.226,3.471211,1.63E-07,1.92E-08,0.017534842
*CC(*)OC(=O)c1ccc(OC(C)=O)cc1,,,,,30.512714,13.194167,1.155439,,1.517958,,3.446134,,0.000245039,0.006802994
*CC(*)OC(=O)c1ccc(OC)cc1,,,,,,12.749117,1.120402,,,,,,0.007141084,0.006945725
*CC(*)OC(=O)c1ccc(OCC)cc1,,,,,,13.12485,1.065992,,,,,,0.001910485,0.01709217
*CC(*)OC(=O)c1cccc(Br)c1,,,,,,13.200667,0.109757,,,,,,,0.001180305
*CC(*)OC(=O)c1cccc(C)c1,,,,,24.446239,12.379683,1.031827,,1.526081,,2.76098,,0.001340411,0.018053466
*CC(*)OC(=O)c1cccc(Cl)c1,,,,,,11.827183,1.224847,,,,,,0.040622715,0.007333838
*CC(*)OC(=O)c1cccc(OC)c1,,,,,23.029141,13.0214,1.092535,,1.506755,,2.600932,,0.001748313,0.025241538
*CC(*)OC(=O)c1cccc([N+](=O)[O-])c1,,,,,27.667464,12.937817,1.258003,,1.532929,,3.124788,,0.007925907,0.017247681
*CC(*)OC(=O)c1ccccc1,0.161,2.066,1.6,,23.718266,14.3907,1.11553,3.815,1.544036,0.192,2.678762,1.29E-07,8.56E-08,0.01144111
*CC(*)OC(=O)c1ccccc1C,,,,,,13.140417,1.076179,,,,,,0.007249109,0.008991174
*CC(*)OC(=O)c1ccccc1Cl,,,,,26.94926,13.667717,1.245388,,1.547245,,3.043674,,0.026626176,0.010955865
*CC(*)OC(=O)c1ccccc1OC,,,,,,12.44515,1.108371,,,,,,0.020291132,0.018272902
*CC(*)OC(=O)c1ccccc1OC(C)=O,,,,,37.796095,12.138483,1.14433,,1.506349,,4.268725,,0.005177833,0.026029436
*CC(*)OC(=O)c1cccnc1,,,,,,14.160883,1.106247,,,,,,0.000642269,0.01255444
*CC(*)OC(=O)c1ccncc1,,,,,21.516801,13.328233,1.131911,,1.493345,,2.430127,,0.001155423,0.012298142
*CC(*)OC(=O)c1nn(C(C)=O)c2ccccc12,,,,,22.612837,12.589867,1.148561,,1.524383,,2.553914,,,
*CC(*)OC(C)=O,,2.838,1.249,,22.173117,13.96795,1.053397,3.268,1.414986,0.308,2.504252,,0.017036559,0.018864874
*CC(*)OC(C)C,0.227,2.539,1.218,341.07,,13.44308483,,3.15,,0.293,,,7.06E-08,0.05304097
*CC(*)OC(C)CC,,,,,,12.533573,0.832447,,,,,,0.005495912,0.035491572
*CC(*)OC(F)(C(F)(F)F)C(F)(F)F,,,,,15.65861,12.842467,1.521746,,1.302927,,1.768498,,0.001351025,0.012408029
*CC(*)OC1C2CC3CC(C2)CC1C3,0.155,,,,,,,,,,,,,
*CC(*)OC1CC2CC1C1CCCC21,0.196,,,,,,,,,,,,,
*CC(*)OC1CC2CCC1C2,0.174,,,,,,,,,,,,,
*CC(*)OC1CCCCC1,0.201,,,,19.798467,10.930115,0.906537,,1.436279,,2.236057,,,
*CC(*)OC=O,,,,,25.485234,18.441417,1.170191,,1.451723,,2.878325,,0.001672334,0.028145872
*CC(*)OCC,0.257,3.53,1.517,291.24,,15.66973123,,3.981,,0.312,,,3.28E-06,0.041492707
*CC(*)OCC(=O)O,,,,,28.977355,14.922667,1.275098,,1.477624,,3.272729,,,
*CC(*)OCC(=O)OC,,,,,28.687375,12.644617,1.160625,,1.454096,,3.239978,,,
*CC(*)OCC(C)(C)C,,,,,18.769806,11.498957,0.811494,,1.397548,,2.119879,,,
*CC(*)OCC(C)(C)CC,,,,,19.891752,13.19043,0.823065,,1.404634,,2.246592,,0.014808522,0.036088433
*CC(*)OCC(C)(C)CC(C)C,0.225,3.505,1.732,,19.015941,11.107633,0.85167,4.461,1.426211,0.288,2.147678,1.63E-07,,
*CC(*)OCC(C)C,,,,,20.429375,14.1826,0.852517,,1.418301,,2.307312,,0.016843618,0.035533815
*CC(*)OCC(F)(F)F,,,,,34.126312,14.367767,1.342284,,1.369056,,3.854257,,,
*CC(*)OCC(N)=O,,,,,32.285684,13.5626,1.277515,,1.528149,,3.646374,,,
*CC(*)OCC1=CC=CC=C1,0.202,,,,,,,,,,,,,
*CC(*)OCC1CC2CC1C1CCCC21,0.226,,,,,,,,,,,,,
*CC(*)OCC1CCCCC1,0.201,,,,,,,,,,,,,
*CC(*)OCCC,,,,,21.005471,13.89905,0.883882,,1.431357,,2.372377,,,
*CC(*)OCCCC,,,,,20.359945,11.7698,0.849505,,1.42845,,2.299471,,0.011630869,0.017941742
*CC(*)OCCCCC,,,,,21.458232,12.341465,0.868074,,1.421681,,2.423512,,0.001345927,0.016053907
*CC(*)OCCCCCC,,,,,19.368583,11.2649,0.854094,,1.420152,,2.187505,,0.006798087,0.029378307
*CC(*)OCCCCCCCCCCCCCCCCCC,0.356,4.429,1.368,,,12.78905,0.834081,3.721,,0.36,,2.65E-07,,
*CC(*)OCCCl,,,,,57.348221,14.901683,1.198586,,1.473617,,6.47696,,,
*CC(*)OCCOc1ccc(/C=C(\C#N)C(=O)OC)cc1,0.228,,,,,12.14131728,1.116355061,,,,,1.67E-07,3.36E-07,0.02010274
*CC(*)OCCOc1ccc(/N=N/c2ccc(C#N)cc2)cc1,0.213,,,,,12.30206268,1.097127441,,,,,,1.27E-07,0.011062607
*CC(*)OCc1ccccc1,,,,,22.678953,12.719583,1.062049,,1.55604,,2.561381,,,
*CC(*)O[N+](=O)[O-],0.15,5.374,1.976,344.94,,17.21043018,,5.281,,0.336,,,7.78E-07,0.016764388
*CC(*)P(=O)(Oc1ccccc1)N(C)C,,,,,21.805672,11.478983,1.079628,,1.480373,,2.462752,,0.004407097,0.053000515
*CC(*)S(=O)(=O)O,,,,,31.063799,14.0758,1.63829,,1.52168,,3.508374,,,
*CC(*)S(=O)(=O)c1ccccc1,,,,,33.414598,13.094733,1.262098,,1.556306,,3.773875,,,
*CC(*)S(=O)c1ccc(Cl)cc1,0.125,,,,,12.26570831,1.260295436,,,,,9.86E-08,,
*CC(*)S(=O)c1ccc(F)cc1,0.131,,,,,12.63657586,1.228714948,,,,,9.97E-08,,
*CC(*)S(=O)c1ccc(OC)cc1,0.185,,,,,11.54854125,1.170319707,,,,,1.38E-07,,
*CC(*)SC,,,,,30.155118,12.685033,1.082078,,1.548408,,3.405746,,,
*CC(*)SCC,,,,,25.669067,13.190717,1.004022,,1.519773,,2.899088,,,
*CC(*)SCCCC,,,,,22.633776,13.876483,0.945111,,1.486804,,2.556279,,,
*CC(*)c1c(C)cc(C)cc1C,0.157,,,,19.878708,13.529917,0.863839,,1.489537,,2.245119,1.42E-07,,
*CC(*)c1c(Cl)cccc1Cl,,,,,33.829053,15.57795,1.308424,,1.577448,,3.820684,,,
*CC(*)c1c(F)c(F)c(C(F)(F)F)c(F)c1F,0.101,5.665,3.115,,19.058449,13.45115,1.452859,7.897,1.392966,0.268,2.152479,6.51E-08,,
*CC(*)c1c(F)c(F)c(F)c(F)c1F,0.103,5.839,3.615,,19.506191,15.961017,1.453903,8.99,1.432702,0.243,2.203047,6.49E-08,,
*CC(*)c1c(F)c(F)c(OC)c(F)c1F,,,,,24.947557,14.59165,1.327364,,1.444922,,2.8176,,,
*CC(*)c1c(F)c(F)c(OCC(F)(F)C(F)(F)F)c(F)c1F,,,,,,13.353367,1.474523,,,,,,,
*CC(*)c1c([2H])c([2H])c([2H])c([2H])c1[2H],0.185,3.841,2.893,,21.508593,13.4622,0.952504,6.937,1.544425,0.199,2.4292,1.60E-07,,
*CC(*)c1cc(-c2ccc(C(=O)OC(C)CCCCCC)cc2)ccc1-c1ccc(C(=O)OC(C)CCCCCC)cc1,0.262,,,,,10.01820949,,,,,,,,
*CC(*)c1cc(Br)ccc1OC,0.14,,,,,,,,,,,,,
*CC(*)c1cc(Br)ccc1OC(C)C,0.122,,,,,,,,,,,,,
*CC(*)c1cc(Br)ccc1OCC,0.128,5.211,3.533,,,13.17144668,,8.645,,0.223,,,,
*CC(*)c1cc(Br)ccc1OCCC,0.137,,,,,,,,,,,,,
*CC(*)c1cc(Br)ccc1OCCC(C)C,0.162,,,,,,,,,,,,,
*CC(*)c1cc(Br)ccc1OCCCC,0.157,4.624,2.481,,,12.90254496,,6.314,,0.272,,,,
*CC(*)c1cc(Br)ccc1OCCCCC,0.164,,,,,,,,,,,,,
*CC(*)c1cc(C(C)(C)C)ccc1C,0.159,3.677,1.892,,19.641639,12.1611,0.868743,4.845,1.479688,0.28,2.218345,1.35E-07,,
*CC(*)c1cc(C(C)C)ccc1C(C)C,0.153,2.642,1.784,,18.432059,11.286265,0.788705,4.369,1.432251,0.224,2.081733,1.44E-07,,
*CC(*)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,,,,,18.819756,15.3147,1.309704,,1.399681,,2.12552,,,
*CC(*)c1cc(C)c(C)cc1C,0.228,,,,19.764719,11.814983,0.860258,,1.483694,,2.232245,1.79E-07,,
*CC(*)c1cc(C)cc(C)c1,0.18,2.337,1.232,,20.404938,13.07541,0.877927,3.144,1.505601,0.276,2.304552,1.55E-07,,
*CC(*)c1cc(C)ccc1C,0.157,4.649,2.93,,20.072845,12.255717,0.871346,7.264,1.495553,0.24,2.267045,1.50E-07,,
*CC(*)c1cc(C)ccc1F,0.208,5.666,3.272,,23.061493,14.403417,1.040064,8.231,1.505375,0.258,2.604586,1.35E-07,,
*CC(*)c1cc(Cl)ccc1Cl,0.121,1.219,0.472,,18.599862,15.1902,0.714606,1.254,1.318155,0.329,2.100685,1.62E-07,,
*CC(*)c1cc(F)ccc1F,0.147,5.503,3.393,,30.14056,15.030167,1.199724,8.444,1.496159,0.244,3.404102,1.05E-07,,
*CC(*)c1cc(OC(C)CC)ccc1OC(C)CC,0.211,3.832,1.791,,19.689802,9.17908,0.881869,4.649,1.451082,0.298,2.223784,1.69E-07,,
*CC(*)c1cc(OC)c(O)c(OC)c1,,,,,26.692807,12.346317,1.081682,,1.512134,,3.01471,,,
*CC(*)c1cc(OC)ccc1OC,0.217,,,,22.873954,11.8911,1.02591,,1.510849,,2.583405,1.67E-07,,
*CC(*)c1ccc(-c2ccc3c(c2)C(CCCCCC)(CCCCCC)c2cc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4ccccc4-5)ccc2-3)cc1,0.231,3.434,1.853,,,12.74028627,,4.712,,0.271,,,,
*CC(*)c1ccc(-c2ccc3c(c2)C(CCCCCC)(CCCCCC)c2ccccc2-3)cc1,0.213,,,,21.284443,10.44122,0.910749,,1.539822,,2.403884,1.72E-07,,
*CC(*)c1ccc(-c2ccccc2)cc1,0.203,5.414,2.652,,23.715543,13.3818,1.010723,6.839,1.624772,0.289,2.678455,1.76E-07,,
*CC(*)c1ccc(/C(C)=N/O)cc1,0.178,4.953,2.105,,,13.27601595,,5.531,,0.314,,,,
*CC(*)c1ccc(C#C)cc1,0.222,,,,22.470897,14.52045,0.955155,,1.574452,,2.537884,2.10E-07,,
*CC(*)c1ccc(C#N)cc1,,,,,33.487428,14.526233,1.025224,,1.563523,,3.7821,,,
*CC(*)c1ccc(C(=O)C(F)(F)F)cc1,,,,,24.257877,14.398717,1.228831,,1.49472,,2.739707,,,
*CC(*)c1ccc(C(=O)CCC)cc1,,,,,20.424157,12.548433,0.380933,,1.185758,,2.306723,,,
*CC(*)c1ccc(C(=O)CCCCCCC)cc1,0.283,,,,25.103006,11.477033,0.936887,,1.494386,,2.835156,2.01E-07,,
*CC(*)c1ccc(C(=O)CCN2CCCCC2)cc1,0.225,6.472,2.172,,24.3368,10.656783,1.009744,5.86,1.504192,0.349,2.74862,1.61E-07,,
*CC(*)c1ccc(C(=O)CCN2CCOCC2)cc1,,,,,,11.173067,1.070663,,,,,,,
*CC(*)c1ccc(C(=O)N(C)C)cc1,0.246,4.941,2.64,,,11.75565548,,6.723,,0.273,,,,
*CC(*)c1ccc(C(=O)N(CC)CC)cc1,0.213,5.198,2.76,,,11.2402794,,7.035,,0.274,,,,
*CC(*)c1ccc(C(=O)N2CCCCC2)cc1,0.132,3.407,1.657,,24.128279,11.38975,1.001955,4.278,1.509151,0.291,2.72507,9.89E-08,,
*CC(*)c1ccc(C(=O)N2CCOCC2)cc1,0.24,6.445,2.662,,,12.29846739,,7.02,,0.318,,,,
*CC(*)c1ccc(C(=O)O)c(C(=O)O)c1,0.171,5.03,2.529,,29.959908,13.518783,1.285466,6.498,1.568661,0.285,3.383699,1.20E-07,,
*CC(*)c1ccc(C(=O)OC(C)C)cc1,,,,,,13.03705,0.977351,,,,,,,
*CC(*)c1ccc(C(=O)OC)cc1,0.232,4.512,2.21,,27.662589,13.967517,1.039152,5.699,1.509805,0.289,3.124238,1.61E-07,,
*CC(*)c1ccc(C(=O)OCC(C)C)cc1,,,,,,12.008433,0.961355,,,,,,,
*CC(*)c1ccc(C(=O)OCC)cc1,,,,,23.046851,13.33265,0.996406,,1.492231,,2.602932,,,
*CC(*)c1ccc(C(=O)OCCC)cc1,,,,,,13.1775,0.996611,,,,,,,
*CC(*)c1ccc(C(=O)OCCCC)cc1,,,,,,11.921167,0.981986,,,,,,,
*CC(*)c1ccc(C(=O)OCCCCCC)cc1,,,,,,12.220917,0.962208,,,,,,,
*CC(*)c1ccc(C(=O)OCCN(C)C)cc1,0.247,4.731,2.224,,,11.6806072,,5.768,,0.297,,,,
*CC(*)c1ccc(C(=O)OOC(C)(C)C)cc1,0.201,,,,,12.87701888,0.969385271,,,,,1.66E-07,,
*CC(*)c1ccc(C(=O)c2ccc(OC)cc2)cc1,,,,,,12.172,1.056761,,,,,,,
*CC(*)c1ccc(C(=O)c2ccccc2)cc1,,,,,27.009386,12.161733,1.067388,,1.602088,,3.050465,,,
*CC(*)c1ccc(C(C)(C)C)cc1,0.194,3.628,1.783,,19.387822,11.8484,0.843772,4.596,1.469335,0.289,2.189678,1.60E-07,,
*CC(*)c1ccc(C(C)(C)O)cc1,0.254,4.42,2.199,,,12.15273389,,5.659,,0.287,,,,
*CC(*)c1ccc(C(C)(O)CC)cc1,0.239,,,,,,,,,,,,,
*CC(*)c1ccc(C(C)(O)CCC)cc1,,,,,,11.281117,0.912773,,,,,,,
*CC(*)c1ccc(C(C)(O)CCCC)cc1,,,,,,12.41425,0.905591,,,,,,,
*CC(*)c1ccc(C(C)=O)cc1,0.23,4.724,2.347,,,14.55350432,,6.041,,0.287,,,,
*CC(*)c1ccc(C(C)C)cc1,0.221,4.116,1.776,,20.163849,13.250433,0.86306,4.658,1.492947,0.311,2.277323,1.90E-07,,
*CC(*)c1ccc(C(C)C)cc1C(C)C,0.209,2.743,1.525,,19.239923,10.932257,0.830693,3.86,1.45888,0.265,2.172974,1.68E-07,,
*CC(*)c1ccc(C(C)CC)cc1,0.23,4.599,2.017,,19.818627,12.0415,0.866907,5.279,1.483776,0.309,2.238334,1.91E-07,,
*CC(*)c1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,,,,,,12.920583,1.408496,,,,,,,
*CC(*)c1ccc(C(O)CCN(C)C)cc1,,,,,,11.950067,0.977024,,,,,,,
*CC(*)c1ccc(C(O)CCN2CCCCC2)cc1,,,,,,11.68475,0.984788,,,,,,,
*CC(*)c1ccc(C(O)CCN2CCOCC2)cc1,,,,,,11.77935,1.022726,,,,,,,
*CC(*)c1ccc(C)c(C)c1,0.206,,,,20.420547,12.774417,0.89082,,1.503171,,2.306315,1.62E-07,,
*CC(*)c1ccc(C)cc1,0.192,4.235,3.061,,20.822641,14.8832,0.914475,7.4,1.519228,0.209,2.351728,1.61E-07,,
*CC(*)c1ccc(C)cc1C,0.209,2.667,1.033,,20.440181,12.782725,0.901578,2.745,1.507254,0.328,2.308533,1.56E-07,,
*CC(*)c1ccc(C)nc1,,,,,22.319502,14.460817,0.934166,,1.498901,,2.520785,,,
*CC(*)c1ccc(C=C)cc1,0.248,3.19,1.243,,,14.73124396,0.915770386,3.3,,0.328,,2.19E-07,,
*CC(*)c1ccc(C=O)cc1,0.171,,,,30.61685,14.7739,1.036824,,1.557917,,3.457895,1.43E-07,,
*CC(*)c1ccc(CC)cc1,0.206,,,,20.605693,11.80109,0.903415,,1.51175,,2.327226,1.67E-07,,
*CC(*)c1ccc(CCC#C)cc1,0.255,,,,21.919157,12.372667,0.967916,,1.542168,,2.47557,2.14E-07,,
*CC(*)c1ccc(CCC)cc1,0.233,4.395,2.128,,20.61372,11.774917,0.911233,5.497,1.513812,0.292,2.328132,1.87E-07,,
*CC(*)c1ccc(CCCC)cc1,0.223,3.912,2.103,,20.451418,12.517967,0.894637,5.35,1.505793,0.272,2.309802,1.66E-07,,
*CC(*)c1ccc(CCCCCC)cc1,0.24,4.337,1.887,,20.026847,11.404483,0.874762,4.944,1.491507,0.31,2.26185,1.87E-07,,
*CC(*)c1ccc(CCCCCCCC)cc1,0.288,4.533,1.976,,20.009284,11.218707,0.867974,5.176,1.492309,0.31,2.259867,2.03E-07,,
*CC(*)c1ccc(CCCCCCCCC)cc1,0.267,4.54,1.764,,19.440237,11.3724,0.869035,4.685,1.471667,0.328,2.195598,2.08E-07,,
*CC(*)c1ccc(CCCCCCCCCC)cc1,0.295,4.263,1.76,,19.887685,11.260767,0.866061,4.641,1.488204,0.319,2.246133,2.10E-07,,
*CC(*)c1ccc(CCCCCCCCCCCC)cc1,0.317,4.875,1.68,,19.762854,11.350517,0.858281,4.521,1.481443,0.345,2.232035,2.24E-07,,
*CC(*)c1ccc(CCCCCCCCCCCCCC)cc1,0.313,4.504,1.697,,,12.212767,0.851683,4.523,,0.333,,2.50E-07,,
*CC(*)c1ccc(CCCCCCCCCCCCCCCC)cc1,0.321,4.718,1.796,,,12.75845,0.851213,4.781,,0.331,,2.48E-07,,
*CC(*)c1ccc(CCCCCCCCCCCCCCCCCC)cc1,0.359,4.927,1.699,,,,,4.572,,0.345,,,,
*CC(*)c1ccc(CCl)cc1,,,,,33.233438,14.612917,1.111641,,1.569037,,3.753415,,,
*CC(*)c1ccc(COC)cc1,0.254,4.038,2.372,,31.408765,11.289067,1.008527,5.951,1.537828,0.254,3.547334,1.94E-07,,
*CC(*)c1ccc(COCC(CC)CCCC)cc1,0.249,3.895,1.833,,21.861373,10.797057,0.909648,4.753,1.47897,0.297,2.469043,1.92E-07,,
*CC(*)c1ccc(COCCC)cc1,0.245,3.883,2.073,,31.093354,11.769483,0.959887,5.279,1.491746,0.273,3.511712,1.85E-07,,
*CC(*)c1ccc(COCCCCCC)cc1,0.252,4.066,1.911,,26.91195,11.961967,0.936371,4.956,1.500377,0.297,3.03946,1.84E-07,,
*CC(*)c1ccc(COCCCCCCOc2ccc(-c3ccc(OC)cc3)cc2)cc1,0.291,5.722,2.316,,,12.780683,1.041772,6.122,,0.322,,2.24E-07,,
*CC(*)c1ccc(COCCCCO)cc1,,,,,,12.12,1.001379,,,,,,,
*CC(*)c1ccc(COCCO)cc1,,,,,,13.005283,1.040403,,,,,,,
*CC(*)c1ccc(COCCOCC)cc1,,,,,,12.448317,1.003754,,,,,,,
*CC(*)c1ccc(COCCOCCCC)cc1,0.262,4.406,2.177,,,10.698518,0.98179,5.607,,0.288,,1.86E-07,,
*CC(*)c1ccc(COCCOCCCCCCCC)cc1,0.285,4.828,1.799,,,11.6397711,,4.801,,0.334,,,,
*CC(*)c1ccc(COc2ccc(-c3ccc(C#N)cc3)cc2)cc1,0.253,,,,29.160423,13.159083,1.067137,,1.636712,,3.293405,2.14E-07,,
*CC(*)c1ccc(Cl)c(C)c1,0.169,,,,23.960943,14.5087,1.062955,,1.526484,,2.706171,1.29E-07,,
*CC(*)c1ccc(Cl)c(Cl)c1,0.111,,,,23.469244,15.519117,1.217204,,1.539979,,2.650638,9.70E-08,,
*CC(*)c1ccc(Cl)c(F)c1,0.14,,,,22.651529,15.3032,1.19575,,1.520726,,2.558284,1.03E-07,,
*CC(*)c1ccc(Cl)c([N+](=O)[O-])c1,,,,,26.606448,15.569983,1.247589,,1.53353,,3.004956,,,
*CC(*)c1ccc(Cl)cc1,,4.53,2.65,,24.658297,16.374433,1.146995,6.653,1.57627,0.255,2.78493,,,
*CC(*)c1ccc(Cl)cc1C,0.16,3.443,1.741,,23.867748,15.533717,1.106147,4.47,1.564296,0.284,2.695645,1.10E-07,,
*CC(*)c1ccc(Cl)cc1Cl,0.092,4.031,1.838,,28.21114,14.2234,1.212573,4.787,1.543026,0.302,3.186192,9.92E-08,,
*CC(*)c1ccc(F)cc1,,3.504,2.897,,25.91362,15.92655,1.07137,6.813,1.512797,0.176,2.926708,,,
*CC(*)c1ccc(F)cc1C,0.135,2.456,1.093,,24.635834,13.192433,1.027008,2.855,1.500209,0.306,2.782393,1.13E-07,,
*CC(*)c1ccc(I)cc1,0.131,5.178,3.205,,,17.24772348,,7.971,,0.243,,,,
*CC(*)c1ccc(N(C)C)cc1,0.249,5.65,2.85,,22.910262,12.172917,0.989594,7.319,1.564052,0.284,2.587506,1.86E-07,,
*CC(*)c1ccc(O)c(OC)c1,0.185,,,,,14.62592281,,,,,,,,
*CC(*)c1ccc(O)cc1,0.211,3.694,2.835,,,13.45887935,,6.772,,0.194,,,,
*CC(*)c1ccc(OC(C)=O)cc1,0.202,3.096,1.781,,39.306378,12.508483,1.082164,4.483,1.524905,0.259,4.439298,1.53E-07,,
*CC(*)c1ccc(OC)c(OC)c1,0.227,,,,,13.44897702,1.022667601,,,,,1.75E-07,,
*CC(*)c1ccc(OC)cc1Cl,,,,,27.099114,13.67385,1.14391,,1.539942,,3.060599,,,
*CC(*)c1ccc(OCC)cc1,0.254,3.911,1.892,,22.359421,12.6254,0.959785,4.888,1.509219,0.292,2.525293,2.03E-07,,
*CC(*)c1ccc(OCCC(C)C)cc1,0.248,3.551,1.797,,22.186886,11.756117,0.922277,4.613,1.49604,0.283,2.505807,1.93E-07,,
*CC(*)c1ccc(OCCC)cc1,0.238,3.252,1.792,,22.313353,11.92975,0.963862,4.542,1.512009,0.267,2.52009,1.84E-07,,
*CC(*)c1ccc(OCCCC)cc1,0.256,3.604,1.935,,22.413294,11.190873,0.948733,4.924,1.505728,0.272,2.531378,1.95E-07,,
*CC(*)c1ccc(Oc2ccccc2)cc1,,,,,23.175874,12.554033,1.037457,,1.561207,,2.617504,,,
*CC(*)c1ccc(S(=O)(=O)O)cc1,0.198,,,,32.674532,14.333717,1.312674,,1.564094,,3.690291,1.49E-07,,
*CC(*)c1ccc(S(=O)(=O)OCCC)cc1,,,,,,13.450817,1.153743,,,,,,,
*CC(*)c1ccc2ccccc2c1,,,,,23.30451,12.59245,1.006646,,1.609554,,2.632032,,,
*CC(*)c1cccc(-c2ccc(-c3ccccc3)cc2)c1,0.192,6.774,3.046,,24.232617,12.369,1.016685,7.947,1.64403,0.304,2.736854,1.74E-07,,
*CC(*)c1cccc(C)c1,0.208,1.426,0.629,,20.596914,13.359683,0.894325,1.645,1.511332,0.308,2.326234,1.73E-07,,
*CC(*)c1cccc(C)n1,,,,,21.780589,14.780517,0.93951,,1.498983,,2.459919,,,
*CC(*)c1cccc(CC)c1,0.19,2.869,1.673,,20.30389,12.071733,0.888352,4.202,1.501558,0.256,2.29314,1.57E-07,,
*CC(*)c1cccc(Cl)c1,0.142,3.42,1.96,,24.289141,15.124067,1.124119,4.937,1.546764,0.259,2.743238,1.19E-07,,
*CC(*)c1cccc(F)c1,0.147,2.176,1.979,,24.578181,16.214367,1.065812,4.556,1.505784,0.151,2.775882,1.32E-07,,
*CC(*)c1cccc(N(c2ccc(C)cc2)c2ccc(C)cc2)c1,0.175,,,,22.109401,10.366025,0.956448,,1.566679,,2.497056,1.54E-07,,
*CC(*)c1cccc(NC(C)=O)c1,0.189,,,,,12.26908267,,,,,,,,
*CC(*)c1cccc(O)c1,,,,,23.670619,13.3848,1.024763,,1.527517,,2.673381,,,
*CC(*)c1cccc(OC(C)=O)c1,0.192,,,,34.528284,14.130033,1.069074,,1.511315,,3.899656,1.48E-07,,
*CC(*)c1cccc2ccccc12,0.219,2.793,1.264,,22.962459,12.538733,1.010577,3.295,1.598031,0.303,2.593401,1.78E-07,,
*CC(*)c1ccccc1,0.188,3.881,2.787,,21.572259,14.286017,0.957021,6.746,1.546662,0.21,2.43639,1.76E-07,,
*CC(*)c1ccccc1C,0.198,2.895,1.627,,20.604096,13.563167,0.910635,4.111,1.513231,0.263,2.327045,1.64E-07,,
*CC(*)c1ccccc1C(=O)N(C)C,0.165,3.155,1.606,,21.364258,11.85565,0.931397,4.119,1.454021,0.282,2.412899,1.40E-07,,
*CC(*)c1ccccc1C(=O)NC,0.198,4.293,1.858,,,,,4.871,,0.311,,,,
*CC(*)c1ccccc1C(=O)Nc1ccccc1,0.167,3.364,1.35,,23.055271,11.689483,1.016266,3.572,1.544697,0.323,2.603883,1.48E-07,,
*CC(*)c1ccccc1C(=O)O,,4.705,2.233,,23.633937,13.390567,1.113653,5.784,1.520892,0.295,2.669238,,,
*CC(*)c1ccccc1C(=O)OC,0.183,5.011,2.038,,,,,5.384,,0.321,,,,
*CC(*)c1ccccc1C(=O)OC(C)C,0.174,2.806,1.439,,,,,3.687,,0.281,,,,
*CC(*)c1ccccc1C(=O)OCC,0.186,5.003,1.878,,23.545297,12.29275,1.01276,5.007,1.493975,0.333,2.659227,1.42E-07,,
*CC(*)c1ccccc1C(=O)OCC(C)C,0.17,3.823,1.651,,,,,4.33,,0.311,,,,
*CC(*)c1ccccc1C(=O)OCCC,0.18,3.778,1.635,,,,,4.287,,0.311,,,,
*CC(*)c1ccccc1C(=O)OCCC(C)C,0.193,3.691,1.455,,,,,3.858,,0.326,,,,
*CC(*)c1ccccc1C(=O)OCCCC,0.195,3.518,1.578,,,,,4.118,,0.305,,,,
*CC(*)c1ccccc1C(=O)OCCCCC,0.202,3.94,1.753,,,,,4.58,,0.306,,,,
*CC(*)c1ccccc1C(=O)OCCCCCC,0.217,3.986,1.647,,,,,4.343,,0.318,,,,
*CC(*)c1ccccc1C(=O)OCCN(C)C,0.181,4.954,1.943,,,,,5.155,,0.327,,,,
*CC(*)c1ccccc1C(=O)Oc1ccccc1,0.165,3.142,1.46,,23.303966,12.675017,1.075908,3.793,1.558485,0.299,2.631971,1.40E-07,,
*CC(*)c1ccccc1C(F)(F)F,,,,,19.769432,13.698533,1.164999,,1.439006,,2.232778,,,
*CC(*)c1ccccc1CC,0.189,2.589,1.686,,19.908418,13.401857,0.877152,4.156,1.489027,0.232,2.248475,1.62E-07,,
*CC(*)c1ccccc1COC,0.216,3.779,1.85,,26.828139,12.828683,0.973492,4.771,1.512374,0.29,3.029994,1.63E-07,,
*CC(*)c1ccccc1COC(C)C,0.163,2.886,1.472,,25.682268,11.788517,0.938903,3.774,1.485013,0.282,2.900579,1.34E-07,,
*CC(*)c1ccccc1COCC,0.17,3.741,1.701,,25.32198,13.2266,0.96856,4.431,1.509789,0.303,2.859887,1.42E-07,,
*CC(*)c1ccccc1COCCC,0.208,3.487,1.52,,24.825216,11.957383,0.930357,3.981,1.487657,0.31,2.803782,1.69E-07,,
*CC(*)c1ccccc1COCCC(C)C,0.185,3.903,1.55,,24.432832,10.74807,0.940381,4.106,1.491499,0.325,2.759466,1.46E-07,,
*CC(*)c1ccccc1COCCCC,0.209,3.428,1.496,,24.701783,11.36,0.939152,3.918,1.489293,0.31,2.789842,1.58E-07,,
*CC(*)c1ccccc1COCCCCC,0.18,3.419,1.681,,23.783241,10.775083,0.938463,4.333,1.495777,0.289,2.686101,1.38E-07,,
*CC(*)c1ccccc1COCCc1ccccc1,0.2,4.353,2.083,,24.560523,10.962057,1.047229,5.389,1.562998,0.294,2.773888,1.44E-07,,
*CC(*)c1ccccc1COCc1ccccc1,0.203,3.778,1.87,,24.538258,11.023717,1.05457,4.815,1.579266,0.288,2.771373,1.49E-07,,
*CC(*)c1ccccc1Cl,0.151,,,,23.629009,13.9329,1.139499,,1.554283,,2.668682,1.19E-07,,
*CC(*)c1ccccc1F,0.189,,,,23.433111,14.458733,1.060938,,1.504667,,2.646557,1.42E-07,,
*CC(*)c1ccccc1O,,,,,23.454002,14.5,1.019119,,1.519824,,2.648916,,,
*CC(*)c1ccccc1OC,0.201,,,,22.257679,13.464983,0.992343,,1.52294,,2.513802,1.57E-07,,
*CC(*)c1ccccn1,0.2,3.829,3.288,,22.649957,13.4823,0.995268,7.669,1.529319,0.166,2.558107,,,
*CC(*)c1cccs1,0.206,3.162,2.005,,,14.65648987,,4.965,,0.238,,,,
*CC(*)c1ccncc1,,,,,22.455718,17.2729,0.981709,,1.514166,,2.536169,,,
*CC(*)c1nc(C)nc(C)n1,,,,,20.323166,14.773483,0.956129,,1.472432,,2.295317,,,
*CC(*)c1nc(N)nc(N)n1,,,,,46.041828,13.711183,1.427477,,1.6881,,5.200006,,,
*CC(*)n1c2ccc(Cl)cc2c2cc(Cl)ccc21,,,,,29.109033,13.4508,1.245618,,1.646941,,3.287601,,,
*CC(*)n1c2ccccc2c2ccccc21,0.145,3.418,,,23.89509,13.095683,1.06432,,1.626554,,2.698733,1.24E-07,3.16E-06,0.008707312
*CC(*)n1cc2ccccc2n1,0.208,4.943,0.124,360.72,,13.59351667,,0.369,,0.488,,,1.47E-07,0.019822395
*CC(*)n1ccnc1,0.194,4.433,1.835,,25.384452,16.7873,1.056698,4.838,1.507239,0.318,2.866943,,6.67E-07,0.006858409
*CC(*)n1cncn1,0.193,5.017,1.609,,,17.02695615,1.170708239,4.361,,0.355,,,4.51E-07,0.006353685
*CC(=O)C(*)Cc1c(F)c(F)c(F)c(F)c1F,,,,,21.187108,15.0599,1.408987,,1.443459,,2.392891,,,
*CC(=O)C(*)c1ccc(F)cc1,0.175,,,,26.444445,12.945067,1.171374,,1.520037,,2.98666,1.37E-07,,
*CC(=O)C(*)c1cccc(C)c1,0.207,,,,,12.4961641,1.012241588,,,,,1.72E-07,,
*CC(=O)N*,0.277,,,,,,,,,,,,,
*CC(=O)NCCCCCCNC(=O)CCc1ccc(O*)cc1,,,,,,25.218367,1.056532,,,,,,,
*CC(=O)NCCCCCCNC(=O)CO*,,,,,,19.45095,1.090981,,,,,,,
*CC(=O)NCCCCCCNC(=O)COc1ccc(O*)cc1,,,,,,21.768667,1.111479,,,,,,,
*CC(=O)NCCCCCCNC(=O)Cc1ccc(O*)cc1,,,,,,21.65325,1.074721,,,,,,,
*CC(=O)O*,,,,,,,,,,,,,0.000645833,0.017300552
*CC(=O)OC(=O)COc1ccc(C(C)(C)c2ccc(O*)cc2)cc1,,,,,,17.733033,1.134448,,,,,,,
*CC(=O)OC(=O)COc1ccc(O*)cc1,,,,,,21.501233,1.246409,,,,,,,
*CC(=O)c1ccc(Oc2ccc(C(=O)COc3ccc(/C=C4\CC/C(=C\c5ccc(O*)c(OC)c5)C4=O)cc3OC)cc2)cc1,0.228,,,,,20.37753688,,,,,,,,
*CC(=O)c1ccc(Oc2ccc(C(=O)COc3ccc(/C=C4\CC/C(=C\c5ccc(O*)cc5)C4=O)cc3)cc2)cc1,0.259,,,,,24.69221661,,,,,,,,
*CC(=O)c1ccc(Oc2ccc(C(=O)COc3ccc(/C=C4\CCC/C(=C\c5ccc(O*)cc5)C4=O)cc3)cc2)cc1,0.282,4.796,2.352,,,27.75852486,,6.065,,0.289,,,,
*CC(C(=O)Oc1ccccc1)C(C(=O)O)C(*)(C)C,0.154,,,,21.775937,13.775933,1.090367,,1.477212,,2.459394,1.15E-07,,
*CC(C(C)C)C(COC(=O)c1ccc(C(=O)O*)cc1)C(C)C,,,,,,16.205767,1.005339,,,,,,0.017311821,0.028014439
*CC(C)(C)C(=O)O*,,,,,,16.353567,0.986913,,,,,,0.016088532,0.023689041
*CC(C)(C)C1C(=O)N(C)C(=O)C1*,0.176,4.541,2.55,,,15.6877409,,6.444,,0.263,,,3.98E-06,0.017443606
*CC(C)(C)C1C(=O)N(C2CCCCC2)C(=O)C1*,0.186,3.748,1.823,,19.255555,13.191945,0.983729,4.706,1.440713,0.291,2.17474,1.35E-07,1.94E-07,0.016163686
*CC(C)(C)C1C(=O)OC(=O)C1*,,,,,20.009479,14.511917,1.070597,,1.424375,,2.259889,,,
*CC(C)(C)C1CC=C(*)CC1,,,,,18.717251,19.73895,0.85098,,1.445077,,2.113943,,,
*CC(C)(C)CO*,,,,,,14.831667,0.901148,,,,,,0.004017653,0.010065302
*CC(C)(C)COC(=O)C1CCC(C(=O)O*)CC1,,,,,,17.2521,1.012887,,,,,,0.013282643,0.02198955
*CC(C)(C)COC(=O)CCC(=O)O*,,,,,,18.2897,1.039221,,,,,,0.012517527,0.036428524
*CC(C)(C)COC(=O)CCCCC(=O)O*,,,,,,18.767617,1.000737,,,,,,0.00075068,0.025493091
*CC(C)(C)COC(=O)NC1CCC(CC2CCC(NC(=O)O*)CC2)CC1,0.316,4.791,1.458,,,23.3531722,0.968633095,3.971,,0.362,,2.40E-07,,
*CC(C)(C)COC(=O)Nc1ccc(Cc2ccc(NC(=O)O*)c(C)c2)cc1C,0.217,,,,,19.23528649,1.042086727,,,,,1.77E-07,,
*CC(C)(C)COC(=O)c1ccc(C(=O)O*)cc1,,,,,,21.85745,1.085485,,,,,,2.67E-06,0.012375969
*CC(C)(C)CS(*)(=O)=O,0.162,4.857,2.359,,,16.55092442,,6.091,,0.291,,,1.22E-07,0.015848155
*CC(C)(C)CS(=O)(=O)CC(C)(C)COC(=O)Nc1ccc(Cc2ccc(NC(=O)O*)cc2)cc1,0.215,,,,,19.49698333,1.102869587,,,,,1.65E-07,,
*CC(C)(C)CS(=O)(=O)CC(C)(C)COC(=O)O*,0.186,,,,,17.59804845,,,,,,,,
*CC(C)(C)CS(=O)(=O)CC(C)(C)COC(=O)c1ccc(C(=O)O*)cc1,,,,,,15.749433,1.115688,,,,,,,
*CC(C)(C)O*,0.207,3.298,1.296,374.6,,13.62337209,,3.438,,0.326,,,1.73E-06,0.015810841
*CC(C)(CC)C(=O)O*,,,,,,17.754133,0.947065,,,,,,0.00316332,0.019819488
*CC(C)(CC)CO*,,,,,,15.243617,0.884276,,,,,,0.003558358,0.029634881
*CC(C)(CCC)C(=O)O*,,,,,,15.427083,0.918433,,,,,,0.023449705,0.013937793
*CC(C)(CO)CO*,,,,,,15.37175,1.00755,,,,,,0.045001705,0.01407703
*CC(C)(COC(=O)NCCCCCCNC(=O)O*)CN(C)C,0.286,,,,,20.14879214,,,,,,,,
*CC(C)(COC(=O)Nc1ccc(Cc2ccc(NC(=O)O*)cc2)cc1)CN(C)C,0.239,,,,,19.14681539,,,,,,,,
*CC(C)(N=C=O)C1C(=O)OC(=O)C1*,,,,,21.142196,16.839933,1.228222,,1.452553,,2.387819,,,
*CC(C)C(*)(C)C,0.202,2.87,,,19.607369,13.36335,0.775151,,1.415805,,2.214474,1.57E-07,,
*CC(C)C(=O)O*,,,,,,20.369467,1.063488,,,,,,0.00286837,0.041800581
*CC(C)C(C)COC(=O)c1ccc(C(=O)O*)cc1,,,,,,20.687333,1.070428,,,,,,0.003177825,0.02182137
*CC(C)CCC(C)CNC(=O)c1cc(C(=O)N*)cc(C(C)(C)C)c1,,,,,,15.747417,0.963618,,,,,,0.043118648,0.012218679
*CC(C)CO*,,,,,,20.684117,0.937426,,,,,,0.00387489,0.020126347
*CC(C)O*,,,,,,14.78405,0.960769,,,,,,0.000263327,0.018577896
*CC(C)S(*)(=O)=O,0.184,6.763,2.727,,24.243867,17.87635,1.300676,7.212,1.484179,0.322,2.738124,1.23E-07,,
*CC(C)S/C(=N\c1ccccc1)S*,0.171,,,,,16.4121412,1.150989242,,,,,1.35E-07,,
*CC(CBr)O*,,,,,,12.226333,0.147378,,,,,,,
*CC(CC(*)(C#N)C#N)(OC(C)=O)c1ccc(OC(=O)CC)cc1,0.197,,,,,14.60719922,1.003229763,,,,,1.65E-07,,
*CC(CC(*)(C#N)C#N)(OC(C)=O)c1ccc(OC(=O)CCC)cc1,0.172,,,,,14.76152082,1.003189408,,,,,1.41E-07,,
*CC(CC(*)(C#N)C#N)(OC(C)=O)c1ccc(OC(=O)OC)cc1,0.153,,,,,14.27502901,1.067728365,,,,,1.24E-07,,
*CC(CC(*)(C#N)C#N)(OC(C)=O)c1ccc(OC(C)=O)cc1,0.151,,,,,14.32914657,1.032524675,,,,,1.26E-07,,
*CC(CC(*)(C#N)C#N)c1ccc(CCl)cc1,,,,,27.111365,18.542683,1.081552,,1.513605,,3.061982,,,
*CC(CC(*)(C#N)C(=O)OC)c1ccccc1,0.187,3.974,2.535,,22.438527,15.0229,0.985696,6.271,1.460657,0.237,2.534228,1.48E-07,,
*CC(CC(Cl)(Cl)Cl)O*,,,,,29.015168,15.170683,1.441668,,1.479643,,3.276999,,0.018443537,0.015226108
*CC(CC)(C(=O)O*)c1ccccc1,0.157,,,,,14.88510975,1.000601155,,,,,1.30E-07,,
*CC(CC)(CC)C(=O)O*,,,,,,18.647517,0.902963,,,,,,0.024342983,0.010446244
*CC(CC)(CC)CO*,,,,,,14.22935,0.86755,,,,,,0.007317462,0.024967593
*CC(CC)(CCl)CO*,,,,,,14.412683,1.064383,,,,,,0.056727775,0.018620843
*CC(CC)C(CC)COC(=O)c1ccc(C(=O)O*)cc1,,,,,,19.444783,1.033851,,,,,,0.002254307,0.010339343
*CC(CC)O*,,,,,,12.74686,0.919655,,,,,,0.00604202,0.045617231
*CC(CC)S*,,,,,24.852466,15.110183,1.025169,,1.513543,,2.80686,,,
*CC(CCC)C(CCC)COC(=O)c1ccc(C(=O)O*)cc1,,,,,,16.789817,1.004876,,,,,,0.006569685,0.020022359
*CC(CCCC)C(CCCC)COC(=O)c1ccc(C(=O)O*)cc1,,,,,,16.152633,0.981855,,,,,,0.007799875,0.018752948
*CC(CCCC)O*,,,,,,12.107017,0.872917,,,,,,0.002935048,0.075057914
*CC(CCCCCC)C(CCCCCC)COC(=O)c1ccc(C(=O)O*)cc1,,,,,,14.437033,0.947513,,,,,,0.013347968,0.013310215
*CC(CCCCCC)O*,,,,,,11.0007,0.848375,,,,,,0.007591707,0.029866462
*CC(CCCCCCCCCCCCCCCC)C(CCCCCCCCCCCCCCCC)COC(=O)c1ccc(C(=O)O*)cc1,0.354,4.479,1.385,251.22,,14.3399778,,3.767,,0.36,,,2.74E-07,0.024196386
*CC(CCCCCCCCCCCCCCCC)C1C(=O)N(CCCCCCCCCCCC)C(=O)C1*,0.342,4.284,1.275,288.84,,11.65178394,,3.48,,0.365,,,5.05E-07,0.009184567
*CC(CCCCCCCCCCOc1ccc(/N=N/c2ccc(C#N)cc2)cc1)COC(=O)CCCCCCCCCCCCC(=O)O*,0.313,,,,,18.57879801,0.974832623,,,,,,,
*CC(CCCCCCCCOc1ccc(/N=N/c2ccc(C#N)cc2)cc1)COC(=O)CCCCCCCCCCCCC(=O)O*,0.31,,,,,21.0173701,0.987164177,,,,,,,
*CC(CCCCCCOc1ccc(/N=N/c2ccc(C#N)cc2)cc1)COC(=O)CCCCCCCCCCCCC(=O)O*,0.292,,,,,17.13872398,1.001902439,,,,,,5.00E-08,0.017108533
*CC(CCCCCCOc1ccc(/N=N/c2ccc(C(F)(F)F)cc2)cc1)COC(=O)CCCCC(=O)O*,0.234,,,,,17.15468178,1.113156247,,,,,,1.18E-06,0.01287008
*CC(CCCCCCOc1ccc(/N=N/c2ccc(C)cc2)cc1)COC(=O)CCCCC(=O)O*,0.283,,,,,15.62088317,1.032541323,,,,,,3.82E-06,0.011108733
*CC(CCCCCCOc1ccc(/N=N/c2ccc(Cl)cc2)cc1)COC(=O)CCCCC(=O)O*,0.235,,,,,18.62435188,1.088777998,,,,,,5.87E-07,0.017635235
*CC(CCCCCCOc1ccc(/N=N/c2ccc(OC)cc2)cc1)COC(=O)CCCCC(=O)O*,0.233,,,,,15.89399203,1.060124902,,,,,,3.46E-07,0.012480425
*CC(CCl)(CCl)CO*,,,,,,,,,,,,,0.031451903,0.022224327
*CC(CCl)(CCl)COC(=O)c1ccccc1C(=O)O*,0.122,,,,23.858952,14.056867,1.255609,,1.499353,,2.694652,9.02E-08,,
*CC(CCl)(CCl)O*,0.11,3.457,2.326,,25.145916,15.4547,1.294344,5.7,1.45146,0.225,2.840003,8.25E-08,,
*CC(CCl)O*,,,,,,14.6009,1.266492,,,,,,0.002408407,0.028043005
*CC(CO)(CO)CO*,,,,,30.743204,14.1223,1.12373,,1.454694,,3.472165,,0.007081106,0.010225844
*CC(CO*)C(C)(C)C,,,,,,13.7721,0.873517,,,,,,0.00075133,0.011146912
*CC(COC(F)(C(F)(F)F)C(F)(F)F)O*,,,,,,13.48065,1.532339,,,,,,0.001497124,0.013113749
*CC(COC)O*,,,,,,14.591133,1.0769,,,,,,0.004177605,0.039542623
*CC(COCC)O*,,,,,,11.971455,1.008899,,,,,,0.002764132,0.016806382
*CC(COCC=C)O*,,,,,,12.88005,1.00297,,,,,,0.007255511,0.033771453
*CC(COCC=C)S*,,,,,,14.311783,1.068294,,,,,,0.001653152,0.025912679
*CC(COCCCC)O*,,,,,,11.57435,0.940619,,,,,,0.00010182,0.034027326
*CC(COCCCCCC)O*,,,,,,10.097423,0.905032,,,,,,0.027656464,0.023115527
*CC(COc1c(C)cccc1C)O*,0.209,5.026,0.729,,,11.10439751,1.040939292,2.086,,0.431,,1.53E-07,,
*CC(COc1c(Cl)cc(C(C)(C)c2cc(Cl)c(O*)c(Cl)c2)cc1Cl)OC(C)=O,0.167,4.837,2.127,,24.677299,18.4752,1.247555,5.565,1.513663,0.308,2.787077,1.29E-07,3.67E-08,0.021246727
*CC(COc1ccc(-c2ccccc2)cc1)O*,0.222,5.341,2.278,,,12.32453522,1.107391335,5.983,,0.313,,1.72E-07,,
*CC(COc1ccc(C(C)(C)c2ccc(O*)cc2)cc1)OC(=O)CC,0.2,4.663,2.078,,,16.97861883,1.039370482,5.428,,0.306,,1.53E-07,1.30E-07,0.024819915
*CC(COc1ccc(C(C)(C)c2ccc(O*)cc2)cc1)OC(=O)CCl,0.205,5.144,2.555,,,19.67421584,1.110342338,6.576,,0.287,,1.57E-07,8.03E-05,0.015215304
*CC(COc1ccc(C(C)(C)c2ccc(O*)cc2)cc1)OC(=O)c1ccccc1,,,,,,16.066867,1.070807,,,,,,0.00931701,0.016360665
*CC(COc1ccc(C(C)(C)c2ccc(O*)cc2)cc1)OC(=O)c1ccccc1Cl,,,,,,17.633133,1.123298,,,,,,,0.019402
*CC(COc1ccc(C(C)(C)c2ccc(O*)cc2)cc1)OC(C)=O,0.221,4.781,2.429,,,20.40865991,1.043826819,6.232,,0.283,,1.72E-07,2.33E-07,0.024484341
*CC(COc1ccc(C(C)(c2ccccc2)c2ccc(O*)cc2)cc1)OC(=O)c1ccccc1,,,,,,16.454017,1.087297,,,,,,0.013360775,0.015461702
*CC(COc1ccc(C(C)(c2ccccc2)c2ccc(O*)cc2)cc1)OC(C)=O,,,,,,17.459733,1.060914,,,,,,0.009168495,0.015011329
*CC(COc1ccc(C2CCCC(CC)(c3ccc(O*)cc3)C2)cc1)OC(C)=O,,,,,,17.4501,0.990812,,,,,,0.008044909,0.012230579
*CC(COc1ccc(Cl)cc1)O*,0.187,5.272,2.423,,,13.06573965,1.228870713,6.303,,0.301,,1.37E-07,,
*CC(COc1ccc(O*)cc1)OC(C)=O,,,,,25.778942,18.051517,1.101015,,1.498565,,2.911497,,0.006459439,0.02010046
*CC(COc1ccc(S(=O)(=O)c2ccc(O*)cc2)cc1)OC(C)=O,,,,,,16.8375,1.226706,,,,,,,
*CC(COc1cccc(C)c1)O*,0.205,3.112,0.884,,,10.74661137,1.060004557,2.423,,0.37,,1.52E-07,,
*CC(COc1ccccc1)O*,0.188,4.771,2.516,,,11.46788084,1.114230489,6.42,,0.276,,1.37E-07,6.14E-06,0.00783822
*CC(COc1ccccc1C(C)C)O*,0.194,4.356,1.631,,,11.07709909,1.012643691,4.35,,0.334,,1.44E-07,,
*CC(COc1ccccc1C)O*,0.229,6.056,1.849,,,12.40278444,1.068860019,5.035,,0.361,,1.68E-07,,
*CC(COc1ccccc1Cl)O*,0.169,4.085,1.515,,,12.48993882,1.220838147,4.045,,0.335,,1.24E-07,,
*CC(Cl)(C#N)C1C=CC(*)CC1,,,,,22.273127,20.315267,1.076658,,1.475714,,2.515547,,,
*CC(Cl)C(Cl)C(*)Cl,,,,,20.629977,21.988083,1.403008,,1.484027,,2.329968,,,
*CC(F)(F)/C(F)=C(/*)Cl,,,,,,16.939633,1.547039,,,,,,0.002864276,0.009105102
*CC(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O*,0.093,,,,,,,,,,,,,
*CC(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)CCCCC(=O)O*,0.134,,,,,,,,,,,,,
*CC(F)(F)C(F)(F)C(F)(F)COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O*,0.112,,,,,,,,,,,,,
*CC(F)(F)C(F)(F)C(F)(F)COC(=O)CCCCC(=O)O*,,,,,,18.459167,1.343796,,,,,,0.006002776,0.06890302
*CC(F)(F)C(F)(F)C(F)(F)COC(=O)c1cc(C(=O)O*)cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1,,,,,,17.361067,1.532689,,,,,,0.001171795,0.025632213
*CC(F)(F)C(F)(F)C(F)(F)COC(=O)c1cc(OCCCCC)cc(C(=O)O*)c1,,,,,,17.298017,1.251429,,,,,,0.042916058,0.020004035
*CC(F)(F)C(F)(F)C(F)(F)COC(=O)c1ccc(OCCCCC)c(C(=O)O*)c1,,,,,,16.170983,1.256199,,,,,,0.006397275,0.019090967
*CC(F)(F)C(F)(F)C(F)(F)COC(=O)c1cccc(-c2cccc(C(=O)O*)c2)c1,,,,,,20.288867,1.324164,,,,,,0.023622978,0.018096726
*CC(F)(F)C(F)(F)C(F)(F)COC(=O)c1cccc(C(=O)O*)c1,,,,,,16.899733,1.413973,,,,,,0.012126172,0.028365296
*CC(F)(F)C(F)(F)C(F)(F)COC(=O)c1cccc(C(=O)O*)c1OCCCCC,,,,,,19.04505,1.246103,,,,,,0.039600572,0.028068029
*CC(F)(F)C(F)(F)C(F)(F)COC(=O)c1cccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c2cccc(C(=O)O*)c2)c1,,,,,,19.210117,1.420625,,,,,,0.002191372,0.025559221
*CC(F)(F)C(F)(F)C(F)(F)COC(=O)c1cccc(C(F)(F)C(F)(F)C(F)(F)c2cccc(C(=O)O*)c2)c1,,,,,,21.3377,1.399153,,,,,,0.000717946,0.016173534
*CC(F)(F)C(F)(F)C(F)(F)COc1c(F)c(F)c(O*)c(F)c1F,,,,,18.559009,26.181267,1.503968,,1.360334,,2.096071,,,
*CC(F)(F)C1(F)C(*)CC(O)(C(F)(F)F)C1(F)F,,,,,20.151441,18.3965,1.419528,,1.313105,,2.275922,,,
*CC(F)(F)C1(F)CC(C(O)(C(F)(F)F)C(F)(F)F)CC1*,0.109,3.747,2.375,345.51,,13.72083522,,5.882,,0.238,,,,
*CC(F)(F)CC(*)(C(F)(F)F)C(F)(F)F,,,,,16.935863,16.200783,1.53371,,1.309447,,1.912752,,0.003191854,0.063270379
*CC(NC=O)C(c1ccccc1)C(*)(C#N)C(=O)OC,0.134,,,,,14.83986883,0.993697671,,,,,1.17E-07,,
*CC(O)CCCCC(O)CN(*)c1ccc(N(C)C)cc1,0.286,,,,,,,,,,,,,
*CC(O)CN(*)c1cc(C)c(/N=N/c2ccc(C#N)cc2)c(C)c1,0.198,,,,,14.07259269,1.066576719,,,,,,1.13E-07,0.007397036
*CC(O)CN(*)c1cc(C)c(/N=N/c2ccc(Cl)cc2)c(C)c1,0.185,,,,,13.49773278,1.112457948,,,,,,3.46E-06,0.008921964
*CC(O)CN(*)c1ccc(/N=N/c2ccc(C#N)cc2)cc1,0.177,,,,,15.81861944,1.112220909,,,,,,,
*CC(O)CN(*)c1ccc(/N=N/c2ccc(Cl)cc2)cc1,0.205,,,,,15.79083378,1.184249788,,,,,,4.65E-07,0.006669591
*CC(O)CN(C)S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N(C)CC(O)COc3ccc(C(C)(C)c4ccc(O*)cc4)cc3)cc2)cc1,,,,,,19.150417,1.18826,,,,,,,
*CC(O)CN(C)S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N(C)CC(O)COc3ccc(O*)cc3)cc2)cc1,,,,,,22.200167,1.239864,,,,,,,
*CC(O)CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)CC(O)COc2ccc(-c3ccc(O*)cc3)cc2)c1,,,,,,20.294367,1.24855,,,,,,,
*CC(O)CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)CC(O)COc2ccc(C(C)(C)c3ccc(O*)cc3)cc2)c1,,,,,,20.128033,1.191833,,,,,,,
*CC(O)CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)CC(O)COc2ccc(C3(c4ccc(O*)cc4)c4ccccc4-c4ccccc43)cc2)c1,,,,,,15.982,1.20395,,,,,,,
*CC(O)CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)CC(O)COc2ccc(O*)cc2)c1,,,,,,17.938767,1.257539,,,,,,,
*CC(O)CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)CC(O)COc2ccc(S(=O)(=O)c3ccc(O*)cc3)cc2)c1,,,,,,17.94125,1.291352,,,,,,,
*CC(O)CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)CC(O)COc2ccc(Sc3ccc(O*)cc3)cc2)c1,,,,,,17.9634,1.250516,,,,,,,
*CC(O)CO*,,,,,,16.66925,1.136827,,,,,,0.002037844,0.016437496
*CC(O)COC(=O)CCCCCCCCC(=O)OCC(O)COc1ccc(C(C)(C)c2ccc(O*)cc2)cc1,0.249,,,,,19.83811013,1.040809161,,,,,1.80E-07,,
*CC(O)COC(=O)CCCCCCCCCCC(=O)OCC(O)COc1ccc(C(C)(C)c2ccc(O*)cc2)cc1,0.245,,,,,19.59576379,1.035681104,,,,,1.75E-07,,
*CC(O)COC(C/C=C/C(OCC(O)COC(c1cccc(C(O*)(C(F)(F)F)C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F,0.087,,,,,14.43490914,1.457053241,,,,,5.56E-08,,
*CC(O)COc1c(C)cc(C(C)(C)c2cc(C)c(O*)c(C)c2)cc1C,0.205,,,,,16.52596445,0.958245348,,,,,1.66E-07,1.12E-07,0.020547287
*CC(O)COc1c(Cl)cc(C(C)(C)c2cc(Cl)c(O*)c(Cl)c2)cc1Cl,0.155,4.698,1.985,464.11,23.242012,17.799567,1.242073,5.22,1.528229,0.315,2.624974,1.19E-07,1.65E-07,0.018715944
*CC(O)COc1ccc(C(C)(C)C2CCC(C)(c3ccc(O*)cc3)CC2)cc1,,,,,,16.351417,0.986216,,,,,,0.009979425,0.044680606
*CC(O)COc1ccc(C(C)(C)c2ccc(O*)c(Cl)c2)cc1Cl,0.182,3.863,1.333,,,20.00444114,1.170493199,3.586,,0.345,,1.43E-07,8.47E-07,0.022225941
*CC(O)COc1ccc(C(C)(C)c2ccc(O*)cc2)cc1,0.198,,,,,,,,,,,,,
*CC(O)COc1ccc(C(C)(CC)c2ccc(O*)cc2)cc1,0.244,4.737,2.295,,,17.03190493,1.023609181,5.928,,0.291,,1.93E-07,1.04E-06,0.025653408
*CC(O)COc1ccc(C(C)(c2ccccc2)c2ccc(O*)cc2)cc1,,,,,,19.083017,1.043083,,,,,,0.086486967,0.017371105
*CC(O)COc1ccc(C(C)CC(C)(C)c2ccc(O*)cc2)cc1,,,,,,16.717417,1.016491,,,,,,0.001296392,0.013688744
*CC(O)COc1ccc(C2(C)CC(C)(C)c3cc(O*)ccc32)cc1,,,,,,17.4212,1.00709,,,,,,0.01772435,0.009127717
*CC(O)COc1ccc(C2CC(C(C)C)CCC2(C)c2ccc(O*)cc2)cc1,,,,,,13.562017,0.966805,,,,,,0.019776796,0.011690214
*CC(O)COc1ccc(C2CCCC(CC)(c3ccc(O*)cc3)C2)cc1,,,,,,19.099617,0.998101,,,,,,0.034080761,0.015917462
*CC(O)COc1ccc(Cc2ccc(O*)cc2)cc1,,,,,,23.420917,1.101069,,,,,,0.002825269,0.007934392
*CC(O)COc1ccc(O*)cc1,,,,,,27.0211,1.12205,,,,,,0.000143805,0.008343694
*CC(O)COc1ccc(S(=O)(=O)c2ccc(O*)cc2)cc1,,,,,,20.462717,1.245138,,,,,,,
*CC(O*)C(C)(C)C,,,,,,13.0244,0.867821,,,,,,0.00231785,0.019206139
*CC(O*)C1CC(F)(F)C1(F)F,,,,,,13.77905,1.358336,,,,,,0.00055366,0.039560671
*CC(O*)c1ccccc1,0.163,2.705,2.926,340.71,,12.17708555,,6.452,,0.102,,,1.84E-08,0.021463705
*CC(OC(C)=O)C1C(=O)OC(=O)C1*,,,,,22.305648,15.55325,1.214574,,1.424698,,2.51922,,,
*CC(OC)C(C(=O)O)C(*)C(=O)O,,,,,23.299432,18.6384,1.108826,,1.437545,,2.631459,,0.005284923,0.015072196
*CC(OC)C1(C)C(=O)OC(=O)C1(*)C,,,,,19.524992,18.403567,1.006806,,1.380696,,2.20517,,,
*CC(OC)C1C(=O)OC(=O)C1*,,,,,23.390194,16.11885,1.207504,,1.444176,,2.64171,,0.012700029,0.022799657
*CC(OC)C1CN(c2ccc(N(C)C)cc2)CC1*,0.239,,,,,,,,,,,,,
*CC(OCC)C(C#N)(C#N)C(*)(C#N)C(=O)OC,,,,,19.167563,16.115017,0.937636,,1.357703,,2.164802,,,
*CC(S*)C(C)(C)C,,,,,21.979236,15.650067,0.943608,,1.46788,,2.482355,,,
*CC(S*)C(C)C,,,,,23.381749,16.8295,0.981154,,1.488004,,2.640756,,,
*CC(c1ccccc1)C(C(=O)O)C(*)C(=O)O,,,,,22.343872,14.906933,1.081259,,1.456979,,2.523537,,,
*CC(c1ccccc1)C(C(=O)O)C(*)C(=O)OCCCCCCCC,0.197,,,,,12.73940509,0.967024285,,,,,1.47E-07,,
*CC(c1ccccc1)C(C(=O)O)C(*)C(=O)OCCCCCCCCCCCCCC,0.263,,,,,12.74261196,0.939926803,,,,,1.90E-07,,
*CC(c1ccccc1)C(C(=O)O)C(*)C(=O)OCCCCCCCCCCCCCCCCCC,0.265,,,,,13.34896456,0.923646316,,,,,1.90E-07,,
*CC(c1ccccc1)C1C(=O)NC(=O)C1*,,,,,21.51204,16.472067,1.103042,,1.510187,,2.429589,,,
*CC(c1ccccc1)C1C(=O)OC(=O)C1*,,,,,21.511166,14.293283,1.10142,,1.48347,,2.429491,,,
*CC(c1ccccc1)S(*)(=O)=O,0.142,,,,23.169392,14.908633,1.172778,,1.518128,,2.616772,1.15E-07,,
*CC(c1ccccc1)c1ccc(*)cc1,0.25,,,,,16.11715227,,,,,,,,
*CC(c1ccccn1)C(c1ccccc1)C(*)c1ccccn1,0.151,3.12,2.648,,,13.36190604,,6.192,,0.169,,,,
*CC*,0.586,5.176,1.306,,,,,3.614,,0.384,,,,
*CC/C(C)=C(/*)C,0.22,4.075,0.995,,,14.53648643,,2.76,,0.387,,,,
*CC/C(C)=C(/*)Cl,,,,,28.020457,23.09215,1.055936,,1.479519,,3.164656,,,
*CC/C=C(/*)C,0.235,,,,,,,,,,,,,
*CC/C=C(/*)C(C)(C)C,0.212,3.101,1.845,366.89,,13.80688688,,4.619,,0.252,,,6.65E-05,0.018941255
*CC/C=C(/*)C(C)C,0.21,,,,,,,,,,,,,
*CC/C=C(/*)CCC,0.23,,,,,,,,,,,,,
*CC/C=C(/*)CCCCCCC,0.276,,,,,,,,,,,,,
*CC/C=C(/*)CCCCCCCCCC,0.291,3.815,1.48,,,13.05800565,,3.932,,0.328,,,1.97E-07,0.035756713
*CC/C=C(/*)c1ccccc1,0.219,3.687,2.848,,,14.95849574,0.989230787,6.795,,0.193,,1.74E-07,9.66E-07,0.010636046
*CC1(*)CC(=O)OC1=O,,,,,24.306793,15.38065,1.389201,,1.506014,,2.745231,,,
*CC1(*)CCC(C)CC1,0.155,,,,17.565171,12.257585,0.776733,,1.401206,,1.983826,1.30E-07,,
*CC1(*)CCCCC1,0.165,3.672,1.667,399.16,18.011239,12.193883,0.801984,4.344,1.419401,0.303,2.034206,1.09E-07,1.91E-07,0.046435601
*CC1(C(=O)O)COCC(*)(C(=O)O)C1,,,,,22.852654,16.335983,1.269337,,1.452479,,2.580999,,,
*CC1(C)CC(*)(C)C(=O)OC1=O,,,,,22.243158,14.887067,1.079437,,1.440243,,2.512162,,,
*CC1(C)CC(CC2(C)CC(N3C(=O)N4C(c5ccc(OC)cc5)N(*)C(=O)N4C3c3ccc(OC)cc3)CC(C)(C)C2)CC(C)(C)C1,0.166,,,,,,,,,,,,,
*CC1(C)CC(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)CC(C)(C)C1,0.207,,,,,,,,,,,,,
*CC1=CC=C(C*)C(=C1)C#N,0.22,,,,,,,,,,,,,
*CC1=CC=C(C*)C=C1,0.359,,,,,,,,,,,,,
*CC1CC(*)(C)C(=O)OC1=O,,,,,22.556839,15.72775,1.169633,,1.455098,,2.54759,,,
*CC1CC(*)C(=O)OC1=O,,,,,25.9897,14.60755,1.275584,,1.486452,,2.9353,,,
*CC1CC(*)C(OC(=O)CCCCCCCCCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1,0.296,6.008,2.492,,,15.82168987,,6.568,,0.318,,,1.16E-07,0.015075935
*CC1CC(*)C(OC(=O)CCCCCCCCCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1OC(=O)CCCCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1,0.238,6.217,2.424,,,14.28339014,,6.436,,0.327,,,5.37E-08,0.014374909
*CC1CC(*)OC(CCC)O1,,,,,,19.354467,0.95245,,,,,,0.007917043,0.018415881
*CC1CC(*)OCO1,0.221,5.209,1.847,,,21.335733,1.096759,4.955,,0.341,,,0.003520883,0.019872361
*CC1CC(CNC(=O)c2cccc(C(=O)N*)c2)CC(C(C)(C)C)C1,,,,,,15.692117,0.994775,,,,,,0.00375665,0.006567357
*CC1CCC(*)C1,0.31,5.92,2.156,,20.015402,24.066517,0.911656,5.768,1.488065,0.338,2.260558,2.28E-07,,
*CC1CCC(CNC(=O)CCCCC(=O)N*)CC1,0.316,5.664,1.441,,,18.13215498,1.025213143,3.985,,0.383,,2.16E-07,2.57E-06,0.006736222
*CC1CCC(CNC(=O)CCCCCCC(=O)N*)CC1,0.341,5.543,1.333,,,18.67169806,1.001745206,3.702,,0.389,,2.33E-07,,
*CC1CCC(CNC(=O)CCCCCCCC(=O)N*)CC1,0.282,5.567,1.55,,,15.90854009,0.985911512,4.255,,0.373,,1.93E-07,,
*CC1CCC(CNC(=O)c2cc(C(=O)N*)cc(C(C)(C)C)c2)CC1,,,,,,18.9201,0.996088,,,,,,0.011368295,0.008435284
*CC1CCC(CNC(=O)c2cccc(C(=O)N*)c2)CC1,,,,,,20.847867,1.073591,,,,,,0.049137796,0.007555622
*CC1CCC(COC(=O)C2CCC(C(=O)O*)CC2)CC1,,,,,,21.575517,1.024313,,,,,,0.013290483,0.017387132
*CC1CCC(COC(=O)CCC(=O)O*)CC1,,,,,,17.867533,1.052284,,,,,,0.006206648,0.034634935
*CC1CCC(COC(=O)CCCC(=O)O*)CC1,0.191,5.299,1.239,,,18.24108278,1.052062735,3.448,,0.392,,1.26E-07,,
*CC1CCC(COC(=O)CCCCCC(=O)O*)CC1,0.251,4.824,1.201,,,24.12983499,1.008411901,3.327,,0.385,,1.69E-07,,
*CC1CCC(COC(=O)CCCCCCCC(=O)O*)CC1,0.238,5.112,1.411,,,18.30131595,0.984625863,3.876,,0.374,,1.60E-07,,
*CC1CCC(COC(=O)CCCCCCCCC(=O)O*)CC1,0.287,5.049,1.056,,,21.68106584,0.982724057,2.962,,0.402,,1.92E-07,,
*CC1CCC(COC(=O)CCCCCCCCCCC(=O)O*)CC1,0.279,,,,,,,,,,,,,
*CC1CCC(COC(=O)NCCSCCCCCCSCCNC(=O)O*)CC1,0.24,,,,,,,,,,,,,
*CC1CCC(COC(=O)O*)CC1,0.212,,,,,17.7384124,,,,,,,1.89E-06,0.024846015
*CC1CCC(COC(=O)c2ccc(C(=O)O*)cc2)CC1,,,,,,21.060933,1.088364,,,,,,0.018379929,0.012818821
*CC1CCC(COC(=O)c2cccc(C(=O)O*)c2)CC1,0.178,5.408,1.1,,,22.45382021,1.092460807,3.09,,0.405,,1.28E-07,5.20E-07,0.009284829
*CC1CCCC(CNC(=O)c2cc(C(=O)N*)cc(C(C)(C)C)c2)C1,,,,,,20.124183,0.987597,,,,,,0.093582508,0.010981788
*CC1CCCC(CNC(=O)c2cccc(C(=O)N*)c2)C1,,,,,,19.801367,1.077077,,,,,,0.043859758,0.009789542
*CC=C1c2ccccc2C(*)c2ccccc21,,,,,23.053365,11.8943,1.021866,,1.602799,,2.603668,,,
*CCC(*)(C)C,0.182,4.013,1.445,,19.749579,13.9218,0.785938,3.87,1.429972,0.339,2.230535,1.47E-07,,
*CCC(*)(C)c1ccccc1,,,,,20.253871,13.924,0.895876,,1.500492,,2.287491,,,
*CCC(*)=O,0.268,,,,,22.19638383,,,,,,,2.16E-06,0.01224202
*CCC(*)C1CCCC1,,,,,,10.397515,0.858047,,,,,,,
*CCC(=O)N*,,,,,,19.82055,1.166164,,,,,,0.044718596,0.004143113
*CCC(=O)NCCCCCCNC(=O)CCS*,,,,,,22.5076,1.070227,,,,,,,
*CCC(=O)NCc1c(C)c(C)c(CNC(=O)CCO*)c(C)c1C,,,,,,16.663967,1.06069,,,,,,,
*CCC(=O)NCc1cc(C)c(CNC(=O)CCO*)cc1C,,,,,,20.787983,1.098116,,,,,,,
*CCC(=O)O*,,,,,,,,,,,,,0.002144604,0.018533021
*CCC(=O)OC(=O)CCc1ccc(*)o1,0.216,,,,,,,,,,,,,
*CCC(=O)Oc1ccc(OC(=O)CCN2CCN(*)CC2)cc1,0.224,6.415,2.697,,,22.5438469,,7.096,,0.316,,,,
*CCC(C(=O)OC)C(*)C(=O)OC,,,,,,15.232633,1.020325,,,,,,,
*CCC(C(=O)OCC)C(*)C(=O)OCC,0.23,3.541,1.452,,,17.46362519,,3.832,,0.32,,,,
*CCC(C)(C)CC(C)CNC(=O)CCCCC(=O)N*,,,,,,14.2372,0.972919,,,,,,0.002036383,0.011791156
*CCC(C)(C)CC(C)CNC(=O)c1ccc(C(=O)N*)cc1,,,,,,20.752167,1.023755,,,,,,0.037090558,0.008211547
*CCC(C)(C)CC(C)COC(=O)CCCCC(=O)O*,0.208,,,,,,,,,,,,,
*CCC(C)(C)CC(C)COC(=O)c1ccc(C(=O)O*)cc1,0.219,,,,,,,,,,,,,
*CCC(C)C(*)C,0.24,,,,,,,,,,,,,
*CCC(C)C(C)CCNC(=O)c1cc(C(=O)N*)cc(C(C)(C)C)c1,,,,,,17.778283,0.979719,,,,,,0.048849399,0.011321853
*CCC(C)C(C)CCNC(=O)c1cccc(C(=O)N*)c1,,,,,,16.364817,1.052398,,,,,,0.024281256,0.011486535
*CCC(C)CC(C)(C)CNC(=O)c1ccc(C(=O)N*)cc1,,,,,,16.557167,1.021299,,,,,,0.034716018,0.007854626
*CCC(C)CC(CC)CNC(=O)c1ccc(C(=O)N*)cc1,0.241,,,,,21.38203632,1.029076006,,,,,1.81E-07,,
*CCC(C)CCC(=O)O*,0.253,4.29,1.482,241.19,,20.5666232,,3.987,,0.345,,,1.88E-06,0.032429528
*CCC(C)O*,,,,,,15.9442,0.928671,,,,,,0.000608253,0.014860018
*CCC(Cl)C(*)C,,,,,22.407176,14.883567,1.030426,,1.455925,,2.530687,,,
*CCC(Cl)C(*)Cl,0.203,4.057,1.62,378.71,22.485484,21.6994,1.275888,4.289,1.470412,0.324,2.539531,1.29E-07,2.17E-07,0.013944246
*CCC(F)(F)C(*)(F)Cl,,,,,17.915857,17.219633,1.408923,,1.385902,,2.023433,,,
*CCC(F)(F)C(*)(F)F,,,,,,26.292167,1.380669,,,,,,0.000118995,0.092113787
*CCC([2H])C(*)([2H])C,0.333,4.637,1.496,,18.490306,18.246833,0.795168,4.052,1.43035,0.354,2.088312,2.40E-07,2.41E-06,0.021432849
*CCC/C=C(/*)c1ccc(Cl)cc1,0.199,6.086,2.449,341.78,24.108622,14.300717,1.104687,6.478,1.59212,0.323,2.72285,1.41E-07,3.83E-06,0.010991915
*CCC/C=C(/*)c1ccc(OC)cc1,0.239,5.572,1.943,,,13.97963389,1.004822055,5.222,,0.344,,1.79E-07,1.11E-07,0.029931471
*CCC/C=C(/*)c1ccccc1,0.206,3.664,2.613,,,16.26239845,0.965359393,6.333,,0.212,,1.61E-07,8.00E-08,0.014316214
*CCC1C(=O)N(CC)C(=O)C1*,,,,,20.07924,14.584017,1.084982,,1.455265,,2.267768,,,
*CCC1C(=O)N(CCC)C(=O)C1*,,,,,20.265215,14.075667,1.05501,,1.45694,,2.288772,,,
*CCC1CC(*)C2C3CCC(C3)C12,0.257,4.948,2.764,,18.918934,15.129383,0.919885,6.99,1.454083,0.265,2.136722,1.85E-07,2.14E-07,0.026760314
*CCC1CC(=O)N(*)C(=O)C1,0.21,,,,,,,,,,,,,
*CCC1CC(OC(=O)CCCCCCCCCCOc2ccc(-c3ccc(C#N)cc3)cc2)CC1*,0.299,6.218,2.766,,,14.37014319,,7.226,,0.306,,,4.08E-08,0.022459703
*CCC1CC2C(CC(*)C2OC(=O)CCCCCCCCCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1OC(=O)CCCCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1,0.264,6.36,2.712,,,14.27605836,,7.123,,0.313,,,9.42E-07,0.020995148
*CCC1CCC(*)C1,0.38,6.078,1.717,,19.386926,22.877733,0.88564,4.708,1.464038,0.371,2.189577,2.61E-07,,
*CCC1CCCC1*,0.302,,,,,,,,,,,,,
*CCC1CN(c2ccc(N(C)C)cc2)CC1*,0.329,,,,,,,,,,,,,
*CCCC(*)(C)C,0.223,4.409,1.921,264.16,,15.7837124,,5.032,,0.31,,,1.02E-06,0.013251797
*CCCC(*)(C)C(=O)O,0.209,4.952,1.963,433.64,22.665702,14.86655,1.007511,5.202,1.429637,0.325,2.559885,1.38E-07,1.02E-06,0.015255295
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*CCCCCCCCNC(=O)c1ccccc1C(=O)N*,0.22,,,,,16.0464242,1.047517365,,,,,1.62E-07,,
*CCCCCCCCO*,,,,,,,,,,,,,0.00095021,0.012579934
*CCCCCCCCOC(=O)CCCCCNC(=O)CCCCC(=O)NCCCCCC(=O)O*,0.293,,,,,,,,,,,,,
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*CCCCCCCCOC(=O)NNC(=O)CCCCCCCCC(=O)NNC(=O)O*,0.279,,,,,19.9101928,,,,,,,,
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*CCCCCCCCOc1ccc(C(C)(C)c2ccc(O*)cc2)cc1,0.239,,,,,18.45934978,0.984375527,,,,,1.78E-07,9.27E-07,0.022166763
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*CCCCCCCCSSCCCCSS*,0.192,,,,,,,,,,,,,
*CCCCCCCCc1nc2ccc(-c3ccc4nc(*)oc4c3)cc2o1,,,,,,23.862133,1.099486,,,,,,,
*CCCCCCCCc1nnc(*)o1,0.324,,,,,,,,,,,,,
*CCCCCCCNC(=O)C(CCCCCCCCCCCC)C(=O)N*,0.325,,,,,13.84301628,,,,,,,,
*CCCCCCCNC(=O)CCCCC(=O)N*,0.323,,,,,,,,,,,,,
*CCCCCCCNC(=O)CCCCCC(=O)N*,0.334,,,,,,,,,,,,,
*CCCCCCCNC(=O)CCCCCCCCC(=O)N*,0.356,5.036,1.305,,,20.0736371,,3.604,,0.381,,,,
*CCCCCCCNC(=O)CCCCCCCCCC(=O)N*,0.419,5.102,1.358,,,22.70774878,,3.742,,0.378,,,,
*CCCCCCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)N*,0.414,5.13,1.335,279.95,,21.54347658,,3.685,,0.38,,,4.75E-06,0.007501136
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*CCCCCCCNC(=O)c1cccc(C(=O)N*)c1,0.288,,,,,20.40815781,1.064753779,,,,,2.13E-07,,
*CCCCCCCOC(=O)Nc1ccc(Cc2ccc(NC(=O)O*)cc2)cc1,0.266,,,,,24.27328444,1.101652931,,,,,2.04E-07,0.000658694,0.009228682
*CCCCCCCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1,,,,,,26.15085,1.109317,,,,,,0.000272812,0.010703852
*CCCCCCCOC(=O)c1ccc(C(=O)O*)cc1,,,,,,21.584933,1.075473,,,,,,0.003942415,0.016183335
*CCCCCCN(C(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)N(*)C(C)C)C(C)C,,,,,,16.836333,1.147962,,,,,,0.070971361,0.006893976
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*CCCCCCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(*)C4=O)cc2C1=O,0.224,,,,,,,,,,,,,
*CCCCCCNC(=O)/C=C(\C)C(=O)N*,,,,,,22.331483,1.04695,,,,,,0.060099821,0.010024677
*CCCCCCNC(=O)C(CCCCCCCCCCCCC)C(=O)N*,0.28,,,,,13.5860206,,,,,,,,
*CCCCCCNC(=O)C(CCCCCCCCCCCCCC)C(=O)N*,0.319,,,,,,,,,,,,,
*CCCCCCNC(=O)C(CCCCCCCCCCCCCCC)C(=O)N*,0.296,,,,,15.49662691,,,,,,,,
*CCCCCCNC(=O)C(CCCCCCCCCCCCCCCC)C(=O)N*,0.305,4.63,1.331,,,13.96037752,,3.644,,0.369,,,,
*CCCCCCNC(=O)C(CCCCCCCCCCCCCCCCC)C(=O)N*,0.343,4.754,1.262,,,16.83151528,,3.478,,0.378,,,,
*CCCCCCNC(=O)C(CCCCCCCCCCCCCCCCCC)C(=O)N*,0.354,,,,,,,,,,,,,
*CCCCCCNC(=O)CC/C=C/CCC(=O)N*,0.278,,,,,,,,,,,,,
*CCCCCCNC(=O)CCC(C)CC(=O)N*,,,,,,16.839133,0.987361,,,,,,0.006034269,0.022689834
*CCCCCCNC(=O)CCC1(CCC(=O)N*)c2ccccc2-c2ccccc21,,,,,,18.054283,1.043209,,,,,,0.008428459,0.008522823
*CCCCCCNC(=O)CCCCC(=O)N*,,5.566,1.582,,,,,4.335,,0.37,,,0.005859207,0.009991955
*CCCCCCNC(=O)CCCCCC(=O)N*,0.278,,,,,,,,,,,,,
*CCCCCCNC(=O)CCCCCCC(=O)N*,0.345,,,,,,,,,,,,,
*CCCCCCNC(=O)CCCCCCCC(=O)N*,,,,,,20.781917,0.970275,,,,,,0.009774525,0.010393827
*CCCCCCNC(=O)CCCCCCCCC(=O)N*,,5.236,1.328,,,22.707733,0.954669,3.673,,0.383,,,0.005069712,0.008401361
*CCCCCCNC(=O)CCCCCCCCCCC(=O)N*,,,,,,25.815383,0.94065,,,,,,0.005006382,0.007922512
*CCCCCCNC(=O)CCCCCCCCCCCCC(=O)N*,0.358,5.294,1.33,,,,,3.682,,0.384,,,,
*CCCCCCNC(=O)CCCCCCCCCCCCCCC(=O)N*,0.329,4.975,1.516,301.68,,25.33874374,,4.129,,0.362,,,6.78E-07,0.010711595
*CCCCCCNC(=O)CCCCCCCCCCCCCCCCC(=O)N*,0.391,4.906,1.337,279.85,,20.51606091,,3.677,,0.375,,,1.66E-05,0.010256861
*CCCCCCNC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)N*,0.44,5.165,1.296,,,20.23051512,,3.588,,0.384,,,,
*CCCCCCNC(=O)Cc1ccc(C(=O)N*)cc1,,,,,,19.2474,1.075858,,,,,,0.032698179,0.005420732
*CCCCCCNC(=O)N*,0.328,,,,,23.54088095,,,,,,,,
*CCCCCCNC(=O)c1cc(C(=O)N*)cc(C(C)(C)C)c1,,,,,,20.323683,1.002745,,,,,,0.024810768,0.008690448
*CCCCCCNC(=O)c1ccc(C(=O)N*)cc1,,,,,,20.105133,1.091524,,,,,,0.022493779,0.007016089
*CCCCCCNC(=O)c1ccc(C(C)(C)c2ccc(C(=O)N*)cc2)cc1,0.271,5.119,1.591,,,22.03758206,1.039889822,4.325,,0.359,,2.10E-07,,
*CCCCCCNC(=O)c1ccc(C(C)(CC)c2ccc(C(=O)N*)cc2)cc1,0.264,4.837,1.683,,,19.99162503,1.017377584,4.524,,0.344,,2.06E-07,3.35E-07,0.006954528
*CCCCCCNC(=O)c1ccc(C(C)c2ccc(C(=O)N*)cc2)cc1,0.256,5.31,1.908,,,24.37115388,1.063149523,5.112,,0.34,,1.96E-07,,
*CCCCCCNC(=O)c1ccc(Cc2ccc(C(=O)N*)cc2)cc1,0.268,5.2,2.214,,,19.92779707,1.070637638,5.817,,0.314,,2.06E-07,,
*CCCCCCNC(=O)c1cccc(C(=O)N*)c1,,,,,,21.097933,1.07955,,,,,,0.004897005,0.007143369
*CCCCCCNC(=O)c1ccccc1-c1ccccc1C(=O)N*,,,,,,13.435683,1.062729,,,,,,0.011549445,0.009611929
*CCCCCCNC(=O)c1ccccc1C(=O)N*,0.218,,,,,16.31653123,1.086745504,,,,,1.62E-07,,
*CCCCCCOC(=O)C(=O)O*,,,,,,21.48535,1.079358,,,,,,0.006655681,0.005203796
*CCCCCCOC(=O)C/C(=C/C(=O)O*)c1ccc(OCC)cc1,0.247,5.125,1.792,,,19.83721202,1.045181659,4.815,,0.343,,1.77E-07,,
*CCCCCCOC(=O)CCC(=O)O*,,,,,,19.664017,1.033686,,,,,,0.040887225,0.019421771
*CCCCCCOC(=O)CCCCC(=O)O*,,,,,,20.97315,1.001373,,,,,,0.002590088,0.039297116
*CCCCCCOC(=O)CCCCCCCCC(=O)O*,,,,,,19.51205,0.952678,,,,,,0.000422606,0.018263946
*CCCCCCOC(=O)CCCCCNC(=O)CCCCC(=O)NCCCCCC(=O)O*,,,,,,19.69315,1.006226,,,,,,,
*CCCCCCOC(=O)CCCCCNC(=O)c1ccc(C(=O)NCCCCCC(=O)O*)cc1,0.255,4.954,1.597,,,17.35198843,,4.326,,0.354,,,,
*CCCCCCOC(=O)CCCCSCCCCC(=O)O*,0.224,,,,,,,,,,,,,
*CCCCCCOC(=O)CCCS(=O)(=O)Cc1ccc(CS(=O)(=O)CCCC(=O)O*)cc1,0.2,5.71,2.276,,,18.51972414,1.165317783,6.027,,0.324,,1.35E-07,,
*CCCCCCOC(=O)Cc1ccc(CC(=O)O*)cc1,0.232,4.908,2.136,,,19.44786739,1.059500642,5.596,,0.31,,1.65E-07,,
*CCCCCCOC(=O)Nc1ccc(C)c(NC(=O)OCCCCCCOc2ccc(-c3ccc(O*)cc3)cc2)c1,,,,,,21.74735,1.074878,,,,,,,
*CCCCCCOC(=O)Nc1ccc(Cc2ccc(NC(=O)O*)cc2)cc1,0.304,,,,,23.59009275,1.114752097,,,,,2.35E-07,5.84E-08,0.01116558
*CCCCCCOC(=O)OCCCCCCOC(=O)OCCCCCCOc1ccc(-c2ccc(O*)cc2)cc1,0.329,,,,,,,,,,,,,
*CCCCCCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1,,,,,,21.681017,1.108549,,,,,,0.002357911,0.013715126
*CCCCCCOC(=O)c1ccc(C(=O)O*)cc1,,,,,,19.535367,1.10089,,,,,,0.013912149,0.010862704
*CCCCCCOC(=O)c1ccc2cc(C(=O)O*)ccc2c1,,,,,,20.973467,1.101943,,,,,,0.000235743,0.010883547
*CCCCCCOC(=O)c1cccc(-c2cccc(C(=O)O*)c2)c1,0.196,5.228,1.685,,,19.43428073,1.096171502,4.565,,0.354,,1.47E-07,,
*CCCCCCOC(=O)c1cccc(C(=O)O*)c1,,,,,,18.198583,1.08404,,,,,,0.000760501,0.014711031
*CCCCCCOC(=O)c1ccccc1-c1ccccc1C(=O)O*,0.188,4.063,1.444,,,16.98185089,1.099628085,3.873,,0.341,,1.40E-07,,
*CCCCCCOCO*,0.278,,,,,,,,,,,,,
*CCCCCCOc1ccc(-c2ccc(O*)c3ccccc23)c2ccccc12,,,,,,20.906583,1.060142,,,,,,0.007274792,0.022254222
*CCCCCCOc1ccc(C(=O)N(C(=O)c2ccc(O*)cc2)c2cc(C)cc(C)c2)cc1,,,,,,20.61345,1.046739,,,,,,,
*CCCCCCOc1ccc(C(=O)N(C(=O)c2ccc(O*)cc2)c2ccc(Oc3ccccc3)cc2)cc1,,,,,,18.630017,1.098172,,,,,,,
*CCCCCCOc1ccc(C(=O)N(C(=O)c2ccc(O*)cc2)c2cccc3ccccc23)cc1,,,,,,20.259867,1.073981,,,,,,,
*CCCCCCOc1ccc(C(=O)N(C(=O)c2ccc(O*)cc2)c2ccccc2)cc1,,,,,,18.57285,1.065746,,,,,,,
*CCCCCCOc1ccc(C(=O)OC(=O)c2ccc(O*)cc2)cc1,,,,,,22.4668,1.111963,,,,,,,
*CCCCCCOc1ccc(C(C)(C)c2ccc(O*)cc2)cc1,0.275,,,,,19.31515991,1.005774089,,,,,2.06E-07,1.83E-06,0.034065076
*CCCCCCS(*)(=O)=O,0.281,6.182,1.945,,30.702908,18.576,1.197046,5.281,1.515334,0.358,3.467614,1.72E-07,,
*CCCCCCS(=O)(=O)CCCCCS(*)(=O)=O,0.264,6.368,2.067,,,18.44065947,,5.596,,0.354,,,,
*CCCCCCSCCCCCS*,0.241,,,,,,,,,,,,,
*CCCCCCSCCS*,0.234,,,,,,,,,,,,,
*CCCCCCSSCCCCSS*,0.192,,,,,,,,,,,,,
*CCCCCC\C=C\*,0.323,3.987,0.995,,,,,2.756,,0.385,,,,
*CCCCCNC(=O)CCCCC(=O)N*,0.327,,,,,,,,,,,,,
*CCCCCNC(=O)CCCCCCCC(=O)N*,0.301,,,,,,,,,,,,,
*CCCCCNC(=O)CCCCCCCCCCCC(=O)N*,0.317,5.069,1.304,,,21.69094086,,3.603,,0.382,,,,
*CCCCCNC(=O)CCCCCCCCCCCCC(=O)N*,0.345,5.13,1.422,,,18.89913865,,3.905,,0.373,,,,
*CCCCCNC(=O)CCCCCCCCCCCCCCCCC(=O)N*,0.431,5.057,1.345,,,20.46088256,,3.706,,0.378,,,,
*CCCCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)N*,0.342,,,282.31,,20.51772176,,,,,,,9.38E-06,0.009073884
*CCCCCNC(=O)CCCCCCCCOCCCCCCCCC(=O)NCCCCCO*,0.267,4.785,1.061,,,20.89267331,,2.964,,0.397,,,,
*CCCCCNC(=O)CCCCCCOCCCCCCC(=O)NCCCCCO*,0.303,5.191,1.287,,,19.41025454,,3.566,,0.385,,,,
*CCCCCNC(=O)Cc1ccc(C(=O)N*)cc1,,,,,,20.280733,1.094578,,,,,,0.001172282,0.009133015
*CCCCCNC(=O)O*,0.268,,,,,20.62252342,,,,,,,,
*CCCCCNC(=O)c1ccc(C(=O)N*)cc1,,,,,,23.4826,1.101565,,,,,,0.01238358,0.004104108
*CCCCCNC(=O)c1cccc(C(=O)N*)c1,0.269,,,,,18.47214767,1.107454365,,,,,2.01E-07,,
*CCCCCOC(=O)CCCCC(=O)O*,,,,,,16.778533,1.023669,,,,,,0.006711872,0.031754841
*CCCCCOC(=O)CCCCCNC(=O)O*,0.317,,,,,21.65180847,,,,,,,,
*CCCCCOC(=O)CCCCSCCCCC(=O)O*,0.202,,,,,,,,,,,,,
*CCCCCOC(=O)Cc1ccc(CC(=O)O*)cc1,0.222,,,,,19.69610836,1.077218136,,,,,1.58E-07,,
*CCCCCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1,,,,,,21.37865,1.133275,,,,,,0.001551266,0.007966599
*CCCCCOC(=O)c1ccc(C(=O)O*)cc1,,,,,,20.525767,1.122916,,,,,,0.004324529,0.010048749
*CCCCCOC(=O)c1ccc(C(C)(CC)c2ccc(C(=O)O*)cc2)cc1,0.206,,,,,19.6870706,1.043250648,,,,,1.56E-07,,
*CCCCCOC(=O)c1ccc2cc(C(=O)O*)ccc2c1,,,,,,21.230183,1.140887,,,,,,0.013191461,0.008553237
*CCCCCOC(=O)c1cccc(-c2cccc(C(=O)O*)c2)c1,0.238,5.632,1.823,,,18.92010925,1.120375578,4.936,,0.354,,1.78E-07,,
*CCCCCOC(=O)c1cccc(C(=O)O*)c1,,,,,,16.025067,1.124167,,,,,,0.000785271,0.015304597
*CCCCCOC(=O)c1ccccc1-c1ccccc1C(=O)O*,0.19,3.586,1.559,,,14.81505836,1.104174502,4.085,,0.31,,1.44E-07,,
*CCCCCOC(=O)c1ccccc1C(=O)O*,0.246,4.26,1.461,,,19.54410908,1.127270902,3.933,,0.346,,1.75E-07,,
*CCCCCOCO*,,,,,,21.800717,0.980891,,,,,,0.001922955,0.014828102
*CCCCCOc1ccc(-c2ccc(O*)c3ccccc23)c2ccccc12,,,,,,22.039683,1.072245,,,,,,0.000194603,0.008562909
*CCCCCOc1ccc(C(=O)OC(=O)c2ccc(O*)cc2)cc1,,,,,,22.870333,1.130986,,,,,,,
*CCCCCOc1cccc(C(=O)OC(=O)c2cccc(O*)c2)c1,,,,,,19.338017,1.132304,,,,,,,
*CCCCCSS*,,,,,37.042605,21.945333,1.16961,,1.573449,,4.183625,,,
*CCCCCc1ccc(CCCCCOC(=O)c2ccc(C(=O)O*)cc2)cc1,0.276,5.588,1.778,,,22.10192143,,4.823,,0.356,,,,
*CCCCN(C)C(=O)c1ccc(C(=O)N(*)C)cc1,0.222,,,,,18.25612038,1.058405553,,,,,1.60E-07,,
*CCCCNC(=O)C(CCCCCCCCCCCC)C(=O)N*,0.379,,,,,,,,,,,,,
*CCCCNC(=O)CC/C=C/CCC(=O)N*,0.258,,,,,,,,,,,,,
*CCCCNC(=O)CCCCC(=O)N*,0.31,5.593,1.719,311.36,,18.074599,,4.678,,0.361,,,2.40E-05,0.011336127
*CCCCNC(=O)CCCCCCC(=O)N*,0.285,5.293,1.423,,,18.29004994,,3.918,,0.377,,,,
*CCCCNC(=O)CCCCCCC(=O)NCCCCNC(=O)C(=O)N*,0.28,,,,,,,,,,,,,
*CCCCNC(=O)CCCCCCCC(=O)NCCCCNC(=O)C(=O)N*,0.285,,,,,,,,,,,,,
*CCCCNC(=O)CCCCCCCCC(=O)N*,0.355,,,,,,,,,,,,,
*CCCCNC(=O)CCCCCCCCC(=O)NCCCCNC(=O)C(=O)N*,0.248,,,,,,,,,,,,,
*CCCCNC(=O)CCCCCCCCCC(=O)N*,0.346,5.168,1.391,,,22.50813311,,3.829,,0.377,,,,
*CCCCNC(=O)CCCCCCCCCCC(=O)N*,0.332,,,,,,,,,,,,,
*CCCCNC(=O)CCCCCCCCCCCCCCC(=O)N*,0.45,,,,,22.41096002,,,,,,,,
*CCCCNC(=O)Cc1ccc(C(=O)N*)cc1,,,,,,19.644567,1.121741,,,,,,0.00071413,0.008386853
*CCCCNC(=O)Cc1ccc(CNC(=O)CCCO*)cc1,0.275,5.576,2.074,,,20.62767558,1.084833839,5.536,,0.335,,1.94E-07,,
*CCCCNC(=O)Nc1ccc(Cc2ccc(NC(=O)O*)cc2)cc1,0.267,,,,,23.61178289,1.148862,,,,,2.07E-07,,
*CCCCNC(=O)c1ccc(C(=O)N*)cc1,0.289,5.036,1.756,,,24.34070587,1.136965864,4.719,,0.344,,2.18E-07,,
*CCCCNC(=O)c1ccc(C(C)(CC)c2ccc(C(=O)N*)cc2)cc1,0.261,4.769,1.711,,,19.47074657,1.051041006,4.585,,0.34,,2.04E-07,4.49E-06,0.00778367
*CCCCNC(=O)c1cccc(C(=O)N*)c1,0.238,,,,,,,,,,,,,
*CCCCO*,0.269,4.621,1.234,,,,,3.399,,0.377,,,0.002450348,0.039833709
*CCCCOC(=O)C/C(=C/C(=O)O*)c1ccc(OCC)cc1,0.201,4.386,1.934,,,16.00232453,1.075115557,5.058,,0.308,,1.45E-07,,
*CCCCOC(=O)C1CCC(C(=O)O*)CC1,,,,,,24.439033,1.05536,,,,,,0.000782536,0.018948823
*CCCCOC(=O)CCC(=O)O*,,,,,,18.693517,1.09218,,,,,,0.00228352,0.029644133
*CCCCOC(=O)CCCC(=O)O*,,,,,,19.55885,1.05737,,,,,,0.002271336,0.020099028
*CCCCOC(=O)CCCCC(=O)O*,,,,,,20.92785,1.042484,,,,,,0.000281696,0.029591033
*CCCCOC(=O)CCCCC(=O)OCCCCOC(=O)c1ccc(C(=O)O*)cc1,0.237,,,,,24.87148212,1.097063358,,,,,1.62E-07,8.13E-08,0.015799992
*CCCCOC(=O)CCCCCCC(=O)OCCCCOC(=O)c1ccc(C(=O)O*)cc1,0.228,,,,,20.80808904,1.073374588,,,,,1.56E-07,,
*CCCCOC(=O)CCCCCCCC(=O)O*,0.241,4.347,1.128,250.75,,20.08942447,,3.115,,0.381,,,1.75E-06,0.026385777
*CCCCOC(=O)CCCCCCCCC(=O)O*,,,,,,22.370267,0.97525,,,,,,0.004575904,0.01791062
*CCCCOC(=O)CCCCCCCCC(=O)OCCCCOC(=O)c1ccc(C(=O)O*)cc1,0.245,,,,,21.43271357,1.050488285,,,,,1.68E-07,,
*CCCCOC(=O)CCCCCCCCCCC(=O)OCCCCOC(=O)c1ccc(C(=O)O*)cc1,0.27,,,,,17.75367447,1.038484737,,,,,1.84E-07,,
*CCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O*,0.421,4.872,1.284,248.55,,25.68405963,,3.541,,0.379,,,9.90E-08,0.021101631
*CCCCOC(=O)CCCCCNC(=O)CCCCC(=O)NCCCCCC(=O)O*,0.242,5.18,1.442,,,20.55732791,,3.959,,0.373,,,,
*CCCCOC(=O)CCCCCNC(=O)c1ccc(C(=O)NCCCCCC(=O)O*)cc1,0.305,5.333,1.578,,,18.85264939,1.068295836,4.309,,0.365,,2.15E-07,,
*CCCCOC(=O)COCC(=O)O*,,,,,,22.173733,1.148861,,,,,,,
*CCCCOC(=O)NC1CCC(CC2CCC(NC(=O)O*)CC2)CC1,0.256,5.633,2.101,,,18.03773926,,5.606,,0.334,,,,
*CCCCOC(=O)Nc1ccc(Cc2ccc(NC(=O)O*)cc2)cc1,0.248,,,,,23.55980476,1.149812659,,,,,1.93E-07,5.55E-07,0.009157284
*CCCCOC(=O)SSSSC(=O)O*,0.153,6.051,0.873,,,21.58816401,1.384308311,2.499,,0.431,,1.06E-07,,
*CCCCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1,0.248,5.295,2,332.1,,19.75210172,,5.329,,0.332,,,7.90E-07,0.01432454
*CCCCOC(=O)c1ccc(C(=O)O*)cc1,,,,,,,,,,,,,0.003207001,0.015212671
*CCCCOC(=O)c1ccc(C(C)(C)c2ccc(C(=O)O*)cc2)cc1,0.205,5.216,1.729,,,18.93942879,1.077464393,4.671,,0.351,,1.56E-07,1.61E-06,0.038019316
*CCCCOC(=O)c1ccc(C(C)(CC)c2ccc(C(=O)O*)cc2)cc1,0.207,,,,,18.34966567,1.056703332,,,,,1.58E-07,,
*CCCCOC(=O)c1ccc2cc(C(=O)O*)ccc2c1,,,,,,24.4845,1.166844,,,,,,0.009276226,0.022895968
*CCCCOC(=O)c1cccc(-c2cccc(C(=O)O*)c2)c1,0.203,5.426,2.067,,,20.16198012,,5.502,,0.331,,,,
*CCCCOC(=O)c1cccc(C(=O)O*)c1,,,,,,19.129267,1.152085,,,,,,0.006013961,0.021984
*CCCCOC(=O)c1ccccc1-c1ccccc1C(=O)O*,0.19,4.071,1.59,,,15.13029385,,4.221,,0.327,,,,
*CCCCOC(=S)c1cccc(C(=S)O*)c1,0.163,4.566,1.915,,,18.52362193,1.201626093,5.04,,0.316,,1.25E-07,,
*CCCCOCO*,,,,,,,,,,,,,0.001354347,0.02019921
*CCCCOc1ccc(-c2ccc(O*)c3ccccc23)c2ccccc12,,,,,,19.920533,1.065327,,,,,,0.002121377,0.019760268
*CCCCOc1ccc(C(=O)OC(=O)c2ccc(O*)cc2)cc1,,,,,,22.044533,1.143151,,,,,,,
*CCCCOc1ccc(C(=O)OCCOC(=O)c2ccc(O*)cc2)cc1,,,,,,21.972983,1.131973,,,,,,,
*CCCCOc1cccc(C(=O)OC(=O)c2cccc(O*)c2)c1,,,,,,20.8223,1.14767,,,,,,,
*CCCCS(*)(=O)=O,,,,,28.785348,19.063183,1.287865,,1.506732,,3.251043,,,
*CCCCSCCS*,0.226,,,,,,,,,,,,,
*CCCCSS*,0.175,,,,,,,,,,,,,
*CCCCSSCCCCO*,0.199,,,,,,,,,,,,,
*CCCCSSCCCCOCO*,0.196,,,,,,,,,,,,,
*CCCCSSCCCSS*,0.161,3.923,1.376,,,21.63031019,,3.696,,0.343,,,,
*CCCCc1ccc(*)cc1,0.33,,,,,18.32227237,0.963521753,,,,,2.51E-07,,
*CCCCc1ccc(CCCCOC(=O)c2ccc(C(=O)O*)cc2)cc1,0.241,5.35,1.815,,,22.4014258,,4.892,,0.348,,,,
*CCCCc1nc2cc3nc(*)[nH]c3cc2[nH]1,0.413,8.362,2.362,,,24.73288577,,6.476,,0.371,,,,
*CCCN(*)C,,,,,22.912894,17.48085,0.910679,,1.484318,,2.587803,,,
*CCCN(*)C(=O)C(C)(C)C,,,,,27.936893,14.073338,0.945184,,1.442614,,3.155218,,,
*CCCN(C)C(=O)c1ccc(C(=O)N(*)C)cc1,0.211,,,,,16.38150617,1.084264571,,,,,1.52E-07,,
*CCCN(CC)C(=O)c1ccc(C(=O)N(*)CC)cc1,0.221,,,,,15.91090897,1.022372318,,,,,1.62E-07,,
*CCCN*,0.354,5.436,1.823,,31.112089,17.78105,0.967748,4.919,1.513257,0.349,3.513828,2.31E-07,,
*CCCNC(=O)CCCCC(=O)NCCCN(*)C,,,,,,17.38895,1.013304,,,,,,,
*CCCNC(=O)CCCCC(=O)NCCCO*,,,,,,21.2605,1.04379,,,,,,,
*CCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)N*,0.377,5.093,1.415,,,20.46241251,,3.885,,0.373,,,,
*CCCNC(=O)Cc1ccc(C(=O)N*)cc1,,,,,,19.502333,1.152178,,,,,,0.00962888,0.006641757
*CCCNC(=O)c1ccc(C(=O)NCCCO*)cc1,,,,,,22.265217,1.138897,,,,,,,
*CCCNC(=O)c1ccc(C(C)(CC)c2ccc(C(=O)N*)cc2)cc1,0.217,,,,,17.27160127,1.051018222,,,,,1.73E-07,,
*CCCNC(=O)c1cccc(C(=O)N*)c1,,,,,28.494165,15.53135,1.160011,,1.558789,,3.218157,,,
*CCCNS(*)(=O)=O,0.217,7.86,2.589,,,21.72486866,,6.999,,0.352,,,,
*CCCO*,0.296,,,,,,,,,,,,,
*CCCOC(=O)C1CCC(C(=O)O*)CC1,0.222,5.913,1.815,240.5,,20.95656384,,4.94,,0.361,,,1.94E-06,0.025393838
*CCCOC(=O)CCC(=O)O*,,,,,,21.084767,1.13055,,,,,,0.000120152,0.019336673
*CCCOC(=O)CCCC(=O)O*,,,,,,19.7807,1.083974,,,,,,0.009496864,0.029727437
*CCCOC(=O)CCCCC(=O)O*,,,,,,23.686583,1.064616,,,,,,0.001388637,0.027885437
*CCCOC(=O)CCCCCCC(=O)O*,,,,,,19.197367,1.021834,,,,,,0.003831417,0.033642315
*CCCOC(=O)CCCCCCCCCCCCCCCCC(=O)O*,0.389,4.707,1.13,,,21.46640792,,3.139,,0.389,,,,
*CCCOC(=O)Cc1ccc(CC(=O)O*)cc1,0.198,4.652,2.245,,,19.71318898,1.130590386,5.802,,0.292,,1.41E-07,,
*CCCOC(=O)N1CCC(*)CC1,0.251,,,,,17.23971196,,,,,,,,
*CCCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1,0.273,6.522,1.919,,,28.73905587,1.16511198,5.243,,0.366,,2.07E-07,,
*CCCOC(=O)c1ccc(C(=O)O*)cc1,,,,,,,,,,,,,0.002803214,0.013139917
*CCCOC(=O)c1ccc(C(C)(CC)c2ccc(C(=O)O*)cc2)cc1,0.187,,,,,23.33200781,1.066046785,,,,,1.44E-07,,
*CCCOC(=O)c1ccc(O*)cc1,,,,,27.73985,25.792167,1.142961,,1.53873,,3.132964,,,
*CCCOC(=O)c1ccc2cc(C(=O)O*)ccc2c1,,,,,,24.19245,1.192867,,,,,,0.001168515,0.01469872
*CCCOC(=O)c1cccc(-c2cccc(C(=O)O*)c2)c1,0.228,5.817,2.413,,,22.13820731,1.153341527,6.36,,0.318,,1.75E-07,,
*CCCOC(=O)c1cccc(C(=O)O*)c1,,,,,,18.411033,1.194701,,,,,,0.000668174,0.013975357
*CCCOC(=O)c1ccccc1-c1ccccc1C(=O)O*,0.198,4.605,1.664,,,15.95366085,1.154578626,4.455,,0.339,,1.52E-07,,
*CCCOCCCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1,,,,,,22.52855,1.148892,,,,,,,
*CCCOc1ccc(-c2ccc(O*)c3ccccc23)c2ccccc12,,,,,,21.945433,1.0931,,,,,,0.00151134,0.023916323
*CCCOc1ccc(C(=O)OC(=O)c2ccc(O*)cc2)cc1,,,,,,26.0992,1.182427,,,,,,,
*CCCOc1cccc(C(=O)OC(=O)c2cccc(O*)c2)c1,,,,,,19.727867,1.175624,,,,,,,
*CCCS(*)(=O)=O,0.193,8.093,3.215,,,19.8097907,,8.517,,0.325,,,,
*CCCc1ccc(CCCOC(=O)c2ccc(C(=O)O*)cc2)cc1,0.249,5.292,1.995,,,21.86965504,,5.317,,0.333,,,,
*CCN(*)C,,,,,23.130811,17.368117,0.955978,,1.511069,,2.612415,,,
*CCN(*)C(=O)C1(c2ccc(Cl)cc2)CCC1,0.157,,,,,,,,,,,,,
*CCN(*)C(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.122,2.534,1.454,,,13.76352475,1.558340554,3.662,,0.259,,7.30E-08,,
*CCN(*)C(=O)CCCCCCCCCCCC,0.351,,,,,11.40221451,0.881373338,,,,,2.38E-07,,
*CCN(*)C(=O)CCCCCCCCCCCCCC,0.309,,,,,,,,,,,,,
*CCN(*)C(=O)CCCCCCCCCCCCCCC,0.36,,,,,12.67666102,,,,,,,,
*CCN(*)C(=O)CCCCCCCCCCCCCCCCC,0.334,4.873,1.395,311.01,,12.96507874,,3.82,,0.369,,,8.29E-06,0.014028826
*CCN(*)C(=O)CCCOc1ccc(SC)cc1,0.227,,,,,11.92131955,1.130756311,,,,,1.59E-07,,
*CCN(*)C(=O)CSC,0.221,,,,,,,,,,,,,
*CCN(*)C(=O)c1c(F)ccc(F)c1F,0.152,,,,,,,,,,,,,
*CCN(*)C(=O)c1c(F)cccc1F,0.16,,,,,,,,,,,,,
*CCN(*)C(=O)c1cc(F)c(F)cc1F,0.139,,,,,,,,,,,,,
*CCN(*)C(=O)c1cc(F)cc(F)c1,,,,,31.199787,14.269767,1.311582,,1.534304,,3.523732,,,
*CCN(*)C(=O)c1cc(F)cc(F)c1F,0.131,,,,,,,,,,,,,
*CCN(*)C(=O)c1cc(F)ccc1F,0.144,,,,,,,,,,,,,
*CCN(*)C(=O)c1ccc(Cl)cc1,0.162,,,,,12.93692398,1.204037064,,,,,1.24E-07,,
*CCN(*)C(=O)c1ccc(F)c(F)c1,0.156,,,,,,,,,,,,,
*CCN(*)C(=O)c1ccc(F)c(F)c1F,,,,,22.697633,13.71185,1.275322,,1.461443,,2.563491,,,
*CCN(*)C(=O)c1ccc(F)cc1,0.168,,,,,,,,,,,,,
*CCN(*)C(=O)c1ccc(OC)cc1,0.191,,,,,13.51048976,1.103055737,,,,,1.41E-07,,
*CCN(*)C(=O)c1ccc(OCC=C)cc1,0.205,,,,,11.54971074,1.080795033,,,,,1.52E-07,,
*CCN(*)C(=O)c1cccc(F)c1F,0.157,,,,,,,,,,,,,
*CCN(*)C(=O)c1ccccc1F,0.181,,,,,,,,,,,,,
*CCN(*)C(=O)c1ccsc1,0.188,,,,,14.13564075,1.22547844,,,,,1.40E-07,,
*CCN(*)Cc1ccccc1,,,,,22.597046,12.7954,1.018541,,1.562425,,2.552131,,,
*CCN(C)C(=O)c1ccc(C(=O)N(*)C)cc1,0.211,,,,,20.03769956,1.099668271,,,,,1.54E-07,,
*CCN(CC)C(=O)c1ccc(C(=O)N(*)CC)cc1,0.214,,,,,16.96547038,1.00907528,,,,,1.62E-07,,
*CCN(CCCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)CCOC(=O)NCCCCCCNC(=O)O*,0.281,,,,,17.43414336,1.098091632,,,,,2.06E-07,,
*CCN(CCCC)C(=O)c1ccc(C(=O)N(*)CCCC)cc1,0.226,,,,,14.55578106,0.975750117,,,,,1.65E-07,,
*CCN(CCOC(=O)NCCCCCCNC(=O)O*)CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1,0.253,,,,,16.53318893,1.124217989,,,,,1.85E-07,,
*CCN(CCOC(=O)NCCCCCCNC(=O)O*)CCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1,0.296,,,,,18.66575033,1.114302771,,,,,2.16E-07,,
*CCN(CCOC(=O)NCCCCCCNC(=O)O*)c1ccc(/N=N/c2ccc(Br)cc2)cc1,0.232,,,,,16.53917409,1.248332485,,,,,1.70E-07,,
*CCN(CCOC(=O)NCCCCCCNC(=O)O*)c1ccc(/N=N/c2ccc(C(C)=O)cc2)cc1,0.29,,,,,19.01696229,1.114311305,,,,,2.13E-07,,
*CCN(CCOC(=O)NCCCCCCNC(=O)O*)c1ccc(/N=N/c2ccc(C(C)C)cc2)cc1,0.276,,,,,16.54958029,1.068206784,,,,,2.04E-07,,
*CCN(CCOC(=O)NCCCCCCNC(=O)O*)c1ccc(/N=N/c2ccc(C)cc2)cc1,0.286,,,,,18.64627315,1.088739704,,,,,2.11E-07,,
*CCN(CCOC(=O)NCCCCCCNC(=O)O*)c1ccc(/N=N/c2ccc(C)cc2C)cc1,0.295,,,,,18.7395928,1.081203115,,,,,2.17E-07,,
*CCN(CCOC(=O)NCCCCCCNC(=O)O*)c1ccc(/N=N/c2ccc(Cl)cc2)cc1,0.262,,,,,19.40949828,1.150518436,,,,,1.92E-07,,
*CCN(CCOC(=O)NCCCCCCNC(=O)O*)c1ccc(/N=N/c2ccc(F)cc2)cc1,0.259,,,,,22.01003749,1.137408769,,,,,1.87E-07,,
*CCN(CCOC(=O)NCCCCCCNC(=O)O*)c1ccc(/N=N/c2ccc(OC)cc2)cc1,0.277,,,,,16.57019214,1.128493957,,,,,1.97E-07,,
*CCN(CCOC(=O)NCCCCCCNC(=O)O*)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)c(C)c1,0.264,,,,,17.07720166,,,,,,,,
*CCN(CCOC(=O)NCCCCCCNC(=O)O*)c1ccc(/N=N/c2ccccc2)cc1,0.275,,,,,18.73663898,1.102120471,,,,,2.03E-07,,
*CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)O*)c1)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1,0.187,,,,,16.73418073,,,,,,,,
*CCN(CCOC(=O)Nc1ccc(Cc2ccc(NC(=O)O*)cc2)cc1)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)c(C)c1,0.243,,,,,20.61279535,,,,,,,,
*CCN(CCOC(=O)c1cccc(C(=O)O*)c1)c1ccccc1,0.209,,,,,,,,,,,,,
*CCN*,0.351,5.213,1.811,240.62,30.483594,20.0731,1.028576,4.869,1.551599,0.344,3.442845,2.26E-07,8.24E-09,0.025752168
*CCNC(=O)CCCCCCCCC(=O)N*,0.323,5.354,1.517,,,16.962466,,4.158,,0.371,,,,
*CCNC(=O)CCCCCCCCCCCCCCC(=O)N*,0.412,,,,,,,,,,,,,
*CCNC(=O)CCCCCCCCCCCCCCCCC(=O)N*,0.34,,,,,19.09375808,,,,,,,,
*CCNC(=O)c1ccc(C(C)(CC)c2ccc(C(=O)N*)cc2)cc1,0.24,,,,,19.63497558,1.053328664,,,,,1.95E-07,,
*CCNC(=O)c1ccc(O*)cc1,,,,,27.832558,20.918433,1.168363,,1.567845,,3.143434,,,
*CCNC(=O)c1cccc(C(=O)N*)c1,,,,,29.044104,16.370017,1.211652,,1.584763,,3.280267,,,
*CCO*,,5.359,1.46,,,,,4.015,,0.375,,,0.000850727,0.030720805
*CCOC(=O)/C=C/C(=O)O*,,,,,,22.029433,1.229317,,,,,,0.000216997,0.03819912
*CCOC(=O)C1CCC(C(=O)O*)CC1,,,,,,16.780517,1.103275,,,,,,0.002395743,0.018724342
*CCOC(=O)CCC(=O)O*,,,,,,22.045317,1.175058,,,,,,0.001949381,0.017766009
*CCOC(=O)CCCCC(=O)O*,,,,,,19.497617,1.092877,,,,,,0.004300236,0.019592613
*CCOC(=O)CCCCCC(=O)O*,,,,,,17.9438,1.063859,,,,,,0.004209717,0.024426764
*CCOC(=O)CCCCCCCC(=O)O*,,,,,,18.674133,1.01967,,,,,,0.002419849,0.019546503
*CCOC(=O)CCCCCCCCC(=O)O*,,,,,,17.913083,1.000263,,,,,,0.010208729,0.017422837
*CCOC(=O)CCCCCNC(=O)c1ccc(C(=O)NCCCCCC(=O)O*)cc1,,5.215,1.614,,,22.28732204,1.093497026,4.389,,0.36,,1.85E-07,,
*CCOC(=O)CCCCSCCCCC(=O)O*,0.212,4.929,1.261,,,19.93042453,,3.486,,0.382,,,,
*CCOC(=O)Cc1ccc(-c2ccc(CC(=O)O*)cc2)cc1,0.24,5.871,3.093,,,23.47269286,1.151359485,7.893,,0.276,,1.79E-07,,
*CCOC(=O)N(Cc1ccccc1)c1ccc(C)c(N(Cc2ccccc2)C(=O)O*)c1,0.186,,,,,14.91900891,,,,,,,,
*CCOC(=O)Nc1ccc(-c2ccc(NC(=O)O*)c(C)c2)cc1C,0.431,,,,,23.60449701,1.153676786,,,,,3.43E-07,,
*CCOC(=O)Nc1ccc(C(C)(C)c2ccc(NC(=O)O*)cc2)cc1,0.347,,,,,22.26538322,1.150468412,,,,,2.70E-07,,
*CCOC(=O)Nc1ccc(Cc2ccc(NC(=O)O*)c(C)c2)cc1C,0.254,,,,,21.60381213,1.12615973,,,,,2.03E-07,,
*CCOC(=O)Nc1ccc(NC(=O)O*)cc1,,,,,25.675696,21.0493,1.273892,,1.56896,,2.899836,,,
*CCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1,,,,,,22.565017,1.199488,,,,,,0.000597433,0.016619084
*CCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2C)c(C)c1,0.247,,,,,,,,,,,,,
*CCOC(=O)c1ccc(C(=O)O*)c2ccccc12,,,,,,21.164233,1.236088,,,,,,0.00044627,0.020643224
*CCOC(=O)c1ccc(C(=O)O*)cc1,,5.616,2.512,,,,,6.558,,0.305,,,0.002379196,0.010943908
*CCOC(=O)c1ccc(C(C)(CC)c2ccc(C(=O)O*)cc2)cc1,0.223,5.026,1.848,,,17.46805786,1.072165648,4.939,,0.336,,1.74E-07,9.97E-07,0.014978388
*CCOC(=O)c1ccc(C2(C)CC(C)(C)c3ccc(C(=O)O*)cc32)cc1,0.18,,,,,,,,,,,,,
*CCOC(=O)c1ccc(CCc2ccc(C(=O)O*)cc2)cc1,0.187,,,,,,,,,,,,,
*CCOC(=O)c1ccc(O*)cc1,,,,,,24.932067,1.189705,,,,,,,
*CCOC(=O)c1ccc2cc(C(=O)O*)ccc2c1,,,,,,,,,,,,,0.002907057,0.008664347
*CCOC(=O)c1ccc2ccc(C(=O)O*)cc2c1,,,,,,19.764517,1.219044,,,,,,2.68E-08,0.014139114
*CCOC(=O)c1cccc(C(=O)O*)c1,,,,,,19.750967,1.218225,,,,,,0.00020249,0.013430008
*CCOC(=O)c1cccc2c(C(=O)O*)cccc12,,,,,,17.7746,1.230863,,,,,,0.000368098,0.02134708
*CCOC(=O)c1ccccc1C(=O)O*,,,,,,16.742683,1.230876,,,,,,0.002253292,0.009167396
*CCOC(=S)c1cccc(C(=S)O*)c1,0.186,4.738,1.973,,,23.06342353,1.264566918,5.198,,0.317,,1.48E-07,,
*CCOCC(=O)O*,,,,,,20.374133,1.211711,,,,,,,
*CCOCC(CCl)O*,,,,,,13.847467,1.209632,,,,,,0.000186865,0.030783101
*CCOCCOC(=O)C(=O)O*,0.187,,,,,,,,,,,,,
*CCOCCOC(=O)C(C)C(=O)O*,,,,,,15.374567,1.149742,,,,,,,
*CCOCCOC(=O)C(CCC)C(=O)O*,,,,,,13.502067,1.073627,,,,,,,
*CCOCCOC(=O)C(CCCCC)C(=O)O*,,,,,,13.40345,1.023453,,,,,,,
*CCOCCOC(=O)C(CCCCCCC)C(=O)O*,0.251,,,,,,,,,,,,,
*CCOCCOC(=O)C(CCCCCCCCC)C(=O)O*,0.224,,,,,,,,,,,,,
*CCOCCOC(=O)CC(=O)O*,0.169,,,,,,,,,,,,,
*CCOCCOC(=O)CCC(=O)O*,,,,,,19.667983,1.150754,,,,,,,
*CCOCCOC(=O)CCCC(=O)O*,,,,,,20.4172,1.120073,,,,,,,
*CCOCCOC(=O)CCCCC(=O)O*,,,,,,17.84345,1.086877,,,,,,,
*CCOCCOC(=O)CCCCCC(=O)O*,,,,,,18.324183,1.064926,,,,,,,
*CCOCCOC(=O)CCCCCCC(=O)O*,,,,,,20.251083,1.045767,,,,,,,
*CCOCCOC(=O)CCCCCCCC(=O)O*,,,,,,25.2628,1.030708,,,,,,,
*CCOCCOC(=O)CCCCCCCCC(=O)O*,0.229,,,,,,,,,,,,,
*CCOCCOC(=O)CCCCCCCCCCCCCCCCC(=O)O*,0.31,4.615,1.162,,,23.57437713,,3.216,,0.384,,,,
*CCOCCOC(=O)NCCCCCCNC(=O)O*,,,,,,20.554467,1.111761,,,,,,,
*CCOCCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1,,,,,,26.3145,1.206472,,,,,,,
*CCOCCOC(=O)c1ccc(C(=O)O*)cc1,,,,,,21.756283,1.197829,,,,,,,
*CCOCCOC(=O)c1cccc(C(=O)O*)c1,,,,,,20.116217,1.203305,,,,,,,
*CCOCCOC(=O)c1ccccc1-c1ccccc1C(=O)O*,0.183,4.148,1.526,,,14.02137468,1.162281878,4.078,,0.336,,1.36E-07,,
*CCOCCOC(=O)c1ccccc1C(=O)O*,,,,,,15.2834,1.202748,,,,,,,
*CCOCCOCCOC(=O)CCCCC(=O)O*,,,,,,21.585083,1.086451,,,,,,,
*CCOCCOCCOC(=O)CCCCCC(=O)O*,,,,,,20.190767,1.070171,,,,,,,
*CCOCCOCCOC(=O)CCCCCCCC(=O)O*,0.267,,,,,,,,,,,,,
*CCOCCOCCOC(=O)NCCCCCCNC(=O)O*,,,,,,23.237,1.108851,,,,,,,
*CCOCCOCCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1,,,,,,21.273967,1.193675,,,,,,,
*CCOCCOCCOCCOC(=O)NCCCCCCNC(=O)O*,,,,,,20.31305,1.097901,,,,,,,
*CCOCCOCCOCCOCCOCCOC(=O)NCCCCCCNC(=O)O*,,,,,,21.639833,1.093421,,,,,,,
*CCOCCOCCOCCOCCOCc1cc(CO*)cc(OCCCCCCCCCCCCCCCC)c1,0.271,,,,,16.37980919,0.969334138,,,,,1.79E-07,,
*CCOCCOCCOCCOCCOc1ccc(/C=C(\C)c2ccc(O*)cc2)cc1,,,,,,20.153667,1.083822,,,,,,0.005147475,0.00988138
*CCOCCOCCOCCOCc1cc(CO*)cc(OCCCCCCCCCCCCCCCC)c1,0.307,,,,,14.06116362,0.956416902,,,,,2.06E-07,,
*CCOCCOCCOCCOCc1cc(CO*)cc(OCCCCCCCCCCCCCCCCCC)c1,0.315,,,,,16.52725548,0.95764794,,,,,2.09E-07,,
*CCOCCOCCOCCOc1ccc(/C=C(\C)c2ccc(O*)cc2)cc1,,,,,,25.501367,1.087292,,,,,,0.000484641,0.017937841
*CCOCCOCCOc1ccc(/C=C(\C)c2ccc(O*)cc2)cc1,,,,,,22.020317,1.068122,,,,,,0.001425936,0.009747947
*CCOCCOc1ccc(C(=O)OC(=O)c2ccc(O*)cc2)cc1,,,,,,23.122017,1.192535,,,,,,,
*CCOCO*,,,,,,,,,,,,,0.000259717,0.034431007
*CCOc1ccc(C(=O)OC(=O)c2ccc(O*)cc2)cc1,,,,,,19.001167,1.202979,,,,,,,
*CCS*,0.223,4.928,1.634,228.54,,21.83251301,,4.414,,0.351,,,4.18E-06,0.00641667
*CCS/C(=N\CC)S*,,,,,26.146057,18.296633,1.169041,,1.575429,,2.952959,,,
*CCS/C(=N\c1ccccc1)S*,0.191,3.719,2.335,,,15.52374424,1.199436862,5.793,,0.24,,1.49E-07,,
*CCSS*,0.141,4.667,1.605,,,,,4.32,,0.346,,,,
*CCSSCCO*,,,,,,22.965133,1.238539,,,,,,,
*CCSSCCOCO*,,,,,,21.5526,1.235504,,,,,,,
*CCSSSSCCO*,,,,,,20.651333,1.354535,,,,,,,
*CCc1c(C)c(C)c(*)c(C)c1C,0.301,3.493,2.049,,,14.87339856,0.893393237,5.142,,0.255,,2.27E-07,,
*CCc1c(Cl)c(Cl)c(*)c(Cl)c1Cl,0.125,1.845,,,,22.58883992,,,,,,,,
*CCc1c2ccccc2c(*)c2ccccc12,0.166,2.038,1.69,,,13.47911257,,3.972,,0.175,,,,
*CCc1cc(*)c(C)cc1C,0.194,3.097,0.883,,21.383179,15.097583,0.932397,2.419,1.526388,0.37,2.415036,1.55E-07,,
*CCc1cc(Cl)c(*)cc1Cl,0.121,1.837,,,,20.85191312,1.246431099,,,,,9.89E-08,,
*CCc1cc(OC)c(*)cc1OC,0.249,,,,,16.61942016,,,,,,,,
*CCc1ccc(*)c(C(=O)OC)c1,0.245,,,,,16.96884009,,,,,,,,
*CCc1ccc(*)c(C(C)=O)c1,0.217,,,,,17.35687342,,,,,,,,
*CCc1ccc(*)c(Cl)c1Cl,0.156,6.059,3.035,,,18.7853722,1.277334045,7.802,,0.285,,1.24E-07,,
*CCc1ccc(*)c(F)c1,0.226,,,,34.874961,23.3447,1.169048,,1.568199,,3.93881,1.64E-07,,
*CCc1ccc(*)c2ccccc12,0.247,,,,,20.17560548,,,,,,,3.16E-07,0.013420729
*CCc1ccc(*)o1,0.288,3.636,1.175,295.01,,21.82351406,,3.182,,0.354,,,1.06E-07,0.011740088
*CCc1ccc(*)s1,0.288,,,305.65,,25.29233638,,,,,,,6.03E-07,0.007234304
*CCc1ccc(-c2ccc(*)cc2)cc1,0.444,,,,,30.03662597,,,,,,,,
*CCc1ccc(C(=O)O*)cc1,0.241,,,,,23.18413959,1.145164404,,,,,1.84E-07,,
*CCc1ccc(CCNC(=O)CCCCCCCC(=O)N*)cc1,0.251,5.134,1.729,,,18.92241224,1.00906537,4.663,,0.349,,1.82E-07,,
*CCc1ccc(CCNC(=O)CCCCCCCCC(=O)N*)cc1,,,,,,18.236917,0.998998,,,,,,0.004741192,0.005375984
*CCc1ccc(CCNC(=O)CCCCCCCCCC(=O)N*)cc1,,,,,,23.710683,1.005888,,,,,,0.001063131,0.00447689
*CCc1ccc(CCNC(=O)CCCCCCCCCCC(=O)N*)cc1,0.297,5.165,1.667,,,20.97782802,0.988824032,4.515,,0.354,,2.12E-07,,
*CCc1ccc(CCNC(=O)CCCCCCCCCCCC(=O)N*)cc1,0.319,5.137,1.533,,,17.0690505,0.985024487,4.183,,0.364,,2.26E-07,,
*CCc1ccc(CCNC(=O)CCCCCCCCCCCCC(=O)N*)cc1,,,,,,20.86065,0.966358,,,,,,0.005149018,0.004597162
*CCc1ccc(CCNC(=O)CCCCCCCCCCCCCC(=O)N*)cc1,0.369,,,,,21.28334773,0.956992356,,,,,2.64E-07,,
*CCc1ccc(CCNC(=O)CCCCCCCCCCCCCCCC(=O)N*)cc1,0.356,4.92,1.49,,,20.56020443,,4.06,,0.362,,,,
*CCc1ccc(CCNC(=O)CCCCCCCCCCCCCCCCC(=O)N*)cc1,0.401,5.225,1.505,300.09,,20.09079341,,4.119,,0.369,,,7.90E-06,0.006165046
*CCc1ccc(CCNC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)N*)cc1,0.303,5.189,1.568,,,22.57031329,,4.274,,0.363,,,,
*CCc1ccc(CCOC(=O)CCc2ccc(CCC(=O)O*)cc2)cc1,0.319,4.968,2.45,,,21.21884374,,6.312,,0.288,,,,
*CCc1ccc(CCOC(=O)c2ccc(C(=O)O*)cc2)cc1,0.23,4.617,2.362,,,17.34109081,,6.054,,0.281,,,,
*CCc1ccc(Cc2ccc(*)cc2)cc1,0.318,,,,,22.28231628,1.024504013,,,,,2.58E-07,,
*CCc1ccc(Cc2ccc(CCS*)cc2)cc1,0.224,5.21,2.788,,,22.25661766,1.074630049,7.098,,0.273,,1.72E-07,,
*CNC(=O)CCCC(=O)N*,,,,,32.546082,16.788917,1.233972,,1.517492,,3.675784,,,
*CNC(=O)OC(c1ccco1)C(OC(=O)NCc1ccc(C(C)(C)c2ccc(*)o2)o1)c1ccco1,,,,,,14.333483,1.1925,,,,,,,
*CNC(=O)OCC(OC(=O)NCc1ccc(*)o1)c1ccco1,,,,,,18.374583,1.255166,,,,,,,
*CNC(=O)OCC(OC(=O)NCc1ccc(C(C)(C)c2ccc(*)o2)o1)c1ccco1,,,,,,16.4432,1.181881,,,,,,,
*CNC(=O)OCC(OC(=O)NCc1ccc(C(CCC)c2ccc(*)o2)o1)c1ccco1,,,,,,17.121383,1.162406,,,,,,,
*CNC(=O)OCCOC(=O)NCc1ccc(C(C)(C)c2ccc(*)o2)o1,,,,,,21.162933,1.185993,,,,,,,
*CNC(=O)OCc1ccc(COC(=O)NCc2ccc(C(C)(C)c3ccc(*)o3)o2)o1,,,,,,17.4149,1.188935,,,,,,,
*CNC(=O)OCc1ccc(COCc2ccc(COC(=O)NCc3ccc(C(C)(C)c4ccc(*)o4)o3)o2)o1,,,,,,18.956683,1.195558,,,,,,,
*CNC(=O)OCc1cocc1COC(=O)NCc1ccc(C(C)(C)c2ccc(*)o2)o1,,,,,,19.084783,1.193862,,,,,,,
*CO*,0.246,7.128,2.658,,,21.59688826,,7.092,,0.334,,,4.88E-07,0.092966616
*COC(=O)NCCCCCCNC(=O)OCc1ccc(*)o1,,,,,,18.3329,1.139742,,,,,,,
*COC(=O)NCCCCCCNC(=O)OCc1cccc(*)n1,0.254,,,,,20.69573289,1.114240094,,,,,1.81E-07,,
*COC(=O)NCc1ccc(CNC(=O)OCc2ccc(*)o2)o1,,,,,,24.47645,1.266993,,,,,,,
*COC(=O)Nc1ccc(Cc2ccc(NC(=O)OCc3ccc(*)o3)cc2)cc1,,,,,,22.3978,1.201188,,,,,,,
*COC1CCC(O*)CC1,0.238,,,,,,,,,,,,,
*COCOc1ccc(C(=O)OC(=O)c2ccc(O*)cc2)cc1,,,,,,22.401817,1.211303,,,,,,,
*COc1ccc(C(=O)OC(=O)c2ccc(O*)cc2)cc1,,,,,,22.0393,1.213015,,,,,,,
*COc1ccc(C(C)(C)c2ccc(O*)cc2)cc1,0.224,,,,,18.16510443,1.069685038,,,,,1.77E-07,4.69E-07,0.023638259
*CS(=O)(=O)C1CCC(*)S(=O)(=O)C1,,,,,25.545416,18.865333,1.402842,,1.495899,,2.885122,,,
*CS*,0.172,5.868,1.642,,113.173638,21.43297913,,4.506,1.673365,0.372,12.781933,,,
*C\C=C/C*,0.247,3.189,1.096,,,,,2.95,,0.346,,,,
*Cc1c(C)c(C)c(CNC(=O)CCCCC(=O)N*)c(C)c1C,0.21,,,,,16.57257464,1.022496202,,,,,1.50E-07,,
*Cc1c(C)c(C)c(CSC(=O)C(=O)S*)c(C)c1C,0.178,4.378,2.034,,,18.71584884,1.079517647,5.284,,0.299,,1.39E-07,,
*Cc1c(C)c(C)c(CSC(=O)CCC(=O)S*)c(C)c1C,0.199,,,,,24.37501185,1.082228797,,,,,1.48E-07,,
*Cc1c(C)c(C)c(CSC(=O)CCCCCCC(=O)S*)c(C)c1C,0.19,,,,,21.73537569,1.015255128,,,,,1.41E-07,,
*Cc1cc(*)c(N)c(C)c1N,0.216,7.029,2.308,,,14.76115736,1.131229703,6.241,,0.352,,1.57E-07,,
*Cc1cc(*)c(O)cc1C,,,,,22.481052,14.361167,1.045611,,1.538364,,2.53903,,,
*Cc1cc(C)c(*)cc1C,0.236,,,,,21.07479817,0.89624315,,,,,2.05E-07,,
*Cc1cc(C)c(C(=O)O*)cc1C,0.217,,,,,19.15975083,1.04999148,,,,,1.75E-07,,
*Cc1cc(C)c(CNC(=O)CCCCC(=O)N*)cc1C,,,,,,19.292433,1.064493,,,,,,0.008130142,0.00894085
*Cc1cc(C)c(CNC(=O)c2ccc(C(=O)N*)cc2)cc1C,,,,,,18.133,1.113647,,,,,,0.057569655,0.006028822
*Cc1cc(CNC(=O)CCCCC(=O)N*)cc(C(C)(C)C)c1,,,,,,16.14,1.027109,,,,,,0.009035017,0.008023521
*Cc1cc(CNC(=O)c2cccc(C(=O)N*)c2)cc(C(C)(C)C)c1,,,,,,18.270833,1.07438,,,,,,0.008650557,0.008686009
*Cc1ccc(*)cc1,0.267,,,,,,,,,,,,,
*Cc1ccc(-c2ccc(C(=O)O*)cc2)cc1,0.295,6.457,2.702,,,23.54460138,1.119980214,7.114,,0.316,,2.49E-07,,
*Cc1ccc(C(=O)N*)cc1,0.271,5.04,2.603,,,21.73169745,1.18267554,6.662,,0.28,,2.16E-07,,
*Cc1ccc(CN(C)C(=O)CCCCC(=O)N(*)C)cc1,0.249,,,,,15.82948023,1.06854409,,,,,1.71E-07,,
*Cc1ccc(CN(C)C(=O)CCCCCCC(=O)N(*)C)cc1,0.256,,,,,17.00590819,1.03999408,,,,,1.76E-07,,
*Cc1ccc(CN(C)C(=O)CCCCCCCCC(=O)N(*)C)cc1,0.248,,,,,19.69429037,1.007033423,,,,,1.72E-07,,
*Cc1ccc(CN(C)C(=O)CCCCCCCCCCC(=O)N(*)C)cc1,0.315,,,,,19.33629862,0.992606204,,,,,2.17E-07,,
*Cc1ccc(CN(C)C(=O)CCCCCCCCCCCCC(=O)N(*)C)cc1,0.288,,,,,19.44866523,0.971297273,,,,,1.99E-07,,
*Cc1ccc(CN(CC)C(=O)CCCCC(=O)N(*)CC)cc1,0.266,,,,,17.39914181,1.013801665,,,,,1.87E-07,,
*Cc1ccc(CN(CC)C(=O)CCCCCCC(=O)N(*)CC)cc1,0.279,,,,,18.48635371,0.991675767,,,,,1.96E-07,,
*Cc1ccc(CN(CC)C(=O)CCCCCCCCC(=O)N(*)CC)cc1,0.272,,,,,18.14354817,0.980332205,,,,,1.89E-07,,
*Cc1ccc(CN(CC)C(=O)CCCCCCCCCCC(=O)N(*)CC)cc1,0.315,,,,,16.62322165,0.968011414,,,,,2.18E-07,,
*Cc1ccc(CN(CC)C(=O)CCCCCCCCCCCCC(=O)N(*)CC)cc1,0.296,,,,,17.24253843,0.949108297,,,,,2.06E-07,,
*Cc1ccc(CN(CC)C(=O)CCCCCCCCCCCCCCC(=O)N(*)CC)cc1,0.256,,,,,22.07654352,0.937088136,,,,,1.79E-07,,
*Cc1ccc(CN/C(C)=N/*)cc1,0.246,,,,,19.06599563,1.06228659,,,,,1.86E-07,,
*Cc1ccc(CNC(=O)CC(C)(C)CC(C)C(=O)N*)cc1,,,,,,18.803883,1.053632,,,,,,0.002001365,0.004879207
*Cc1ccc(CNC(=O)CCCCC(=O)N*)cc1,0.277,5.824,2.439,,,18.73103904,1.110901106,6.421,,0.316,,2.01E-07,,
*Cc1ccc(CNC(=O)CCCCCCCCC(=O)N*)cc1,,,,,,19.91115,1.039789,,,,,,0.00106642,0.004180783
*Cc1ccc(CNC(=O)CCCCCCCCCC(=O)N*)cc1,,,,,,21.087167,1.022751,,,,,,0.000993793,0.003892483
*Cc1ccc(CNC(=O)CCCCCCCCCCC(=O)N*)cc1,,,,,,19.535767,1.011629,,,,,,0.01570964,0.004145149
*Cc1ccc(CNC(=O)CCCCCCCCCCCC(=O)N*)cc1,,,,,,19.858233,0.997469,,,,,,0.038737841,0.004425842
*Cc1ccc(CNC(=O)CCCCCCCCCCCCC(=O)N*)cc1,0.288,5.059,1.753,,,23.0302371,0.989165407,4.714,,0.345,,2.05E-07,,
*Cc1ccc(CNC(=O)CCCCCCCCCCCCCCC(=O)N*)cc1,0.351,,,,,21.00764884,0.977332891,,,,,2.48E-07,,
*Cc1ccc(CNC(=O)CCCCCCCCCCCCCCCC(=O)N*)cc1,0.333,,,,,20.93223533,0.967137289,,,,,2.36E-07,,
*Cc1ccc(CNC(=O)CCCCCCCCCCCCCCCCC(=O)N*)cc1,0.347,5.1785,1.699,,,19.70952259,,4.595,,0.352,,,1.24E-05,0.005290189
*Cc1ccc(CNC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)N*)cc1,0.359,,,,,,,,,,,,,
*Cc1ccc(CNC(=O)c2cc(C(=O)N*)cc(C(C)(C)C)c2)cc1,,,,,,17.29845,1.070172,,,,,,0.094020678,0.010296572
*Cc1ccc(COC(=O)CCCCCCC(=O)O*)cc1,0.249,5.208,2.132,,,21.49490371,1.062836641,5.628,,0.32,,1.76E-07,,
*Cc1ccc(COC(=O)CCCCCCCCCCC(=O)O*)cc1,0.272,4.893,1.91,,,24.87683095,1.004809328,5.07,,0.327,,1.92E-07,,
*Cc1ccc(COC(=O)CCCCCCCCCCCCCCCCCCC(=O)O*)cc1,0.286,,,,,22.37056866,0.947319595,,,,,2.00E-07,,
*Cc1ccc(COC(=O)CCCCS(=O)(=O)CCCCC(=O)O*)cc1,0.228,,,,,23.26543599,1.140839851,,,,,1.57E-07,,
*Cc1ccc(COC(=O)CCCCSCCCCC(=O)O*)cc1,0.228,,,,,21.54996755,1.080722105,,,,,1.61E-07,,
*Cc1ccc(COC(=O)c2cccc(C(=O)O*)c2)cc1,,,,,,17.6632,1.172079,,,,,,8.64E-05,0.007139656
*Cc1ccc(CSC(=O)NCCCCCCNC(=O)S*)cc1,0.251,,,,,23.69482398,1.143140815,,,,,1.84E-07,,
*Cc1ccc(CSSS*)cc1,,,,,63.502408,19.56405,1.366094,,1.716297,,7.17202,,,
*Cc1ccc2nc(-c3cc(-c4nc5ccc(*)cc5c(=O)o4)cc(N4C(=O)c5ccccc5C4=O)c3)oc(=O)c2c1,0.227,4.593,1.697,,,22.4736598,,4.533,,0.336,,,,
*Cc1cccc(CN(C)C(=O)CCCCC(=O)N(*)C)c1,0.216,,,,,18.0041144,1.063035162,,,,,1.49E-07,,
*Cc1cccc(CNC(=O)/C=C(\C)C(=O)N*)c1,0.21,4.855,1.496,,,19.26636257,1.129872208,4.07,,0.36,,1.62E-07,2.66E-05,0.018854004
*Cc1cccc(CNC(=O)CCC2(CCC(=O)N*)c3ccccc3-c3ccccc32)c1,,,,,,15.407567,1.100879,,,,,,0.000413755,0.00991739
*Cc1cccc(CNC(=O)CCCCC(=O)N*)c1,,,,,,18.289883,1.107045,,,,,,0.009251325,0.007391483
*Cc1cccc(CNC(=O)c2cc(C(=O)N*)cc(C(C)(C)C)c2)c1,,,,,,16.556733,1.082251,,,,,,0.021298618,0.007203941
*Cc1cccc(CNC(=O)c2cccc(C(=O)N*)c2)c1,,,,,,20.8015,1.182452,,,,,,0.003106961,0.006098088
*Cc1cccc(CNC(=O)c2ccccc2-c2ccccc2C(=O)N*)c1,,,,,,14.905883,1.131854,,,,,,0.012508734,0.007488847
*Cc1ccccc1CSS*,,,,,26.044468,15.973633,1.220249,,1.626862,,2.941486,,,
*N1C(=O)C2=C(C=C(C(OC3=CC=CC=C3)=C2)C2=C(OC3=CC=CC=C3)C=C3C(=O)N(C(=O)C3=C2)C2=CC=C(CC3=CC=C(*)C=C3)C=C2)C1=O,0.287,,,,,,,,,,,,,
*N1C(=O)C2=C(C=C(C(OC3=CC=CC=C3)=C2)C2=C(OC3=CC=CC=C3)C=C3C(=O)N(C(=O)C3=C2)C2=CC=C(OC3=CC=C(*)C=C3)C=C2)C1=O,0.332,,,,,,,,,,,,,
*N1C(=O)C2=C(C=C(C=C2)C(=O)C2=CC=C3C(=O)N(C(=O)C3=C2)C2=CC(*)=CC=C2)C1=O,0.25,,,,,,,,,,,,,
*N1C(=O)C2=C(C=C(C=C2)C(=O)C2=CC=C3C(=O)N(C(=O)C3=C2)C2=CC3=C(C=C2)C2C=CC(*)=CC2C3=O)C1=O,0.226,,,,,,,,,,,,,
*N1C(=O)C2=C(C=C(C=C2)C(=O)C2=CC=C3C(=O)N(C(=O)C3=C2)C2=CC=C(CC3=CC=C(*)C=C3)C=C2)C1=O,0.24,,,,,,,,,,,,,
*N1C(=O)C2=C(C=C(C=C2)C(=O)C2=CC=C3C(=O)N(C(=O)C3=C2)C2=CC=C(OC3=CC=C(*)C=C3)C=C2)C1=O,0.303,,,,,,,,,,,,,
*N1C(=O)C2=C(C=C(C=C2)C(=O)C2=CC=C3C(=O)N(C(=O)C3=C2)C2=CC=C3OCCOCCOC4=C(OCCOCCOC3=C2)C=CC(*)=C4)C1=O,0.275,5.978,2.369,,,,,6.278,,0.325,,,,
*N1C(=O)C2=C(C=C(C=C2)C2=CC=C3C(=O)N(C(=O)C3=C2)C2=C3C=CC=C(*)C3=CC=C2)C1=O,,6.656,3.051,,,40.51275714,1.012801085,7.94,,0.301,,,,
*N1C(=O)C2=C(C=C(C=C2)C2=CC=C3C(=O)N(C(=O)C3=C2)C2=CC=C(C=C2)S(=O)(=O)C2=CC=C(*)C=C2)C1=O,0.303,,,,,,,,,,,,,
*N1C(=O)C2=C(C=C(C=C2)C2=CC=C3C(=O)N(C(=O)C3=C2)C2=CC=C(CC3=CC=C(*)C=C3)C=C2)C1=O,0.246,,,,,,,,,,,,,
*N1C(=O)C2=C(C=C(C=C2)C2=CC=C3C(=O)N(C(=O)C3=C2)C2=CC=C(OC3=CC=C(*)C=C3)C=C2)C1=O,0.325,8.19,2.402,,,,,6.564,,0.366,,,,
*N1C(=O)C2=C(C=C(C=C2)C2=CC=C3C(=O)N(C(=O)C3=C2)C2=CC=C(OC3=CC=C(C=C3)S(=O)(=O)C3=CC=C(OC4=CC=C(*)C=C4)C=C3)C=C2)C1=O,0.227,,,,,,,,,,,,,
*N1C(=O)C2=C(C=C(C=C2)C2=CC=C3C(=O)N(C(=O)C3=C2)C2=CC=C(OC3=CC=C(OC4=CC=C(OC5=CC=C(*)C=C5)C=C4)C=C3)C=C2)C1=O,0.42,,,,,,,,,,,,,
*N1C(=O)C2=C(C=C(C=C2)C2=CC=C3C(=O)N(C(=O)C3=C2)C2=CC=C(SC3=CC=C(*)C=C3)C=C2)C1=O,0.296,,,,,,,,,,,,,
*N1C(=O)C2=C(C=C(C=C2)S(=O)(=O)C2=CC=C3C(=O)N(C(=O)C3=C2)C2=CC=C(CC3=CC=C(*)C=C3)C=C2)C1=O,0.218,,,,,,,,,,,,,
*N1C(=O)C2=C(C=C(C=C2)S(=O)(=O)C2=CC=C3C(=O)N(C(=O)C3=C2)C2=CC=C(OC3=CC=C(*)C=C3)C=C2)C1=O,0.211,,,,,,,,,,,,,
*N1C(=O)C2=C(C=C(OC3=CC=C(OC4=CC=C5C(=O)N(C(=O)C5=C4)C4=CC=C(CC5=CC=C(*)C=C5)C=C4)C=C3)C=C2)C1=O,0.307,,,,,,,,,,,,,
*N1C(=O)C2=C(C=C(OC3=CC=C(OC4=CC=C5C(=O)N(C(=O)C5=C4)C4=CC=C(OC5=CC=C(*)C=C5)C=C4)C=C3)C=C2)C1=O,0.306,7.785,2.399,,,,,6.527,,0.36,,,,
*N1C(=O)C2=C(C=C(OC3=CC=C4C(=O)N(C(=O)C4=C3)C3=CC(*)=CC=C3)C=C2)C1=O,0.236,,,,,,,,,,,,,
*N1C(=O)C2=C(C=C(OC3=CC=C4C(=O)N(C(=O)C4=C3)C3=CC=C(CC4=CC=C(*)C=C4)C=C3)C=C2)C1=O,0.257,,,,,,,,,,,,,
*N1C(=O)C2=C(C=C(SC3=CC=C4C(=O)N(C(=O)C4=C3)C3=CC=C(CC4=CC=C(*)C=C4)C=C3)C=C2)C1=O,0.264,,,,,,,,,,,,,
*N1C(=O)C2=C(C=C(SC3=CC=C4C(=O)N(C(=O)C4=C3)C3=CC=C(OC4=CC=C(*)C=C4)C=C3)C=C2)C1=O,0.251,,,,,,,,,,,,,
*N1C(=O)C2=C(C=C3C(=C2)S(=O)(=O)C2=C(C=C4C(=O)N(C(=O)C4=C2)C2=CC=C(OC4=CC=C(*)C=C4)C=C2)S3(=O)=O)C1=O,0.276,6.727,2.31,,,,,6.218,,0.346,,,,
*N1C(=O)C2=C(C=C3C(=O)N(C(=O)C3=C2)C2=CC=C(CC3=CC=C(*)C=C3)C=C2)C1=O,0.311,,,,,,,,,,,,,
*N1C(=O)C2=C(C=C3C(=O)N(C(=O)C3=C2)C2=CC=C(OC3=CC=C(*)C=C3)C=C2)C1=O,0.429,6.936,1.658,,,,,4.607,,0.389,,,,
*N1C(=O)C2=C(C=C3C(=O)N(C(=O)C3=C2)C2=CC=CC(OC3=CC(*)=CC=C3)=C2)C1=O,0.238,2.918,0.652,,,,,1.82,,0.396,,,,
*N1C(=O)C2=C(C=C3SC4=C(SC3=C2)C=C2C(=O)N(C(=O)C2=C4)C2=CC=C(OC3=CC=C(*)C=C3)C=C2)C1=O,0.27,6.787,2.452,,,,,6.565,,0.339,,,,
*N1C(=O)C2=CC3=C(C=C2C1=O)C(=O)N(C3=O)C1=CC=C(OC2=CC=C(*)C=C2)C=C1,0.437,7.39,1.9,,,,,5.25,,0.382,,,,
*N1C(=O)C2=CC=C(C=C2C1=O)C(=O)C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=C(OC2=CC=C(*)C=C2)C=C1,0.213,,,,,,,,,,,,,
*N1C(=O)C2=CC=C(C=C2C1=O)C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=C(C=C1)S(=O)(=O)C1=CC=C(*)C=C1,0.214,,,,,,,,,,,,,
*N1C(=O)C2=CC=C(C=C2C1=O)C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=C(CC2=CC=C(*)C=C2)C=C1,0.22,,,,,,,,,,,,,
*N1C(=O)C2=CC=C(C=C2C1=O)C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=C(OC2=CC=C(*)C=C2)C=C1,0.478,8.769,2.453,,,,,6.731,,0.372,,,,
*N1C(=O)C2=CC=C(OC3=CC=C(OC4=CC5=C(C=C4)C(=O)N(C5=O)C4=CC=C(CC5=CC=C(*)C=C5)C=C4)C=C3)C=C2C1=O,0.248,,,,,,,,,,,,,
*N1C(=O)C2=CC=C(OC3=CC=C(OC4=CC5=C(C=C4)C(=O)N(C5=O)C4=CC=CC(*)=C4)C=C3)C=C2C1=O,0.237,,,,,,,,,,,,,
*N1C(=O)C2C=C3C(=O)N(C(=O)C3=CC2C1=O)C1=CC(OC2=CC(*)=CC=C2)=CC=C1,0.186,,,,,,,,,,,,,
*N1C(=O)C2C=CC(=CC2C1=O)C(=O)C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=C(*)C=C1,0.209,,,,,,,,,,,,,
*N1C(=O)C2C=CC(=CC2C1=O)C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=C(*)C=C1,0.234,,,,,,,,,,,,,
*N1C(=O)C2C=CC(=CC2C1=O)C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=C(C=C1)S(=O)(=O)C1=CC=C(*)C=C1,0.228,,,,,,,,,,,,,
*N1C(=O)C2C=CC(=CC2C1=O)C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=C(CC2=CC=C(*)C=C2)C=C1,0.242,,,,,,,,,,,,,
*N1C(=O)C2C=CC(OC3=CC=C4C(=O)N(C(=O)C4=C3)C3=CC=C(C=C3)N(C3=CC=CC=C3)C3=CC=C(*)C=C3)=CC2C1=O,0.207,,,,,,,,,,,,,
*N1CCOC1(*)CC,,,,,17.783309,19.372867,0.854464,,1.372571,,2.008463,,,
*N=C1C=CC(=NC2=CC(=O)C(*)=CC2=O)C=C1,0.375,3.904,1.345,,,26.37506932,1.147573076,3.619,,0.345,,3.00E-07,,
*NC(=O)/C=C/C(=O)Nc1nc(*)nc(N)n1,,,,,32.201737,17.080017,1.425494,,1.65088,,3.636893,,,
*NC(=O)NCCCCCCNC(=O)Nc1cccc(*)n1,0.319,,,,,24.66294723,1.159755198,,,,,,,
*NC(=O)Nc1ccc(Cc2ccc(NC(=O)Nc3cccc(*)n3)cc2)cc1,0.313,,,,27.965675,19.806417,1.156345,,1.627657,,3.158469,,,
*Nc1cc(*)ccc1C,0.212,,,,,16.20584801,1.043061788,,,,,1.82E-07,,
*Nc1cc(*)ccc1CC,0.231,,,,,15.01064042,1.009226587,,,,,1.91E-07,,
*Nc1cc(*)ccc1CCCCCCCCCCCC,0.313,,,,20.736577,12.1209,0.896679,,1.475171,,2.342008,2.29E-07,,
*Nc1cc(*)ccc1N,0.232,5.288,3.123,,,16.96946307,1.205910253,7.828,,0.253,,1.90E-07,,
*Nc1cc(*)ccc1OCCCCCC,0.255,,,,,12.06351525,0.997820895,,,,,1.87E-07,,
*Nc1cc(C)c(*)cc1C,0.438,4.612,2.3,,,33.27369468,0.926020023,5.916,,0.286,,4.00E-07,,
*Nc1cc(C)c(*)cc1OC,0.287,,,,,24.5426072,1.006691277,,,,,2.44E-07,,
*Nc1cc(OCC)c(*)cc1OCC,0.336,,,,,25.06616235,0.969552939,,,,,2.76E-07,,
*Nc1cc(OCCCC)c(*)cc1OCCCC,0.376,,,,,17.99868616,0.970342356,,,,,2.79E-07,,
*Nc1cc(OCCCCCC)c(*)cc1OCCCCCC,0.248,4.798,1.969,,,15.68516467,0.928014078,5.196,,0.32,,1.82E-07,,
*Nc1ccc(*)c(Cl)c1Cl,0.205,6.418,3.719,,,22.06382409,,9.351,,0.257,,,,
*Nc1ccc(*)cc1-c1ccccc1,0.298,,,,,18.75621872,1.056212184,,,,,2.75E-07,,
*Nc1ccc(*)cc1C,0.408,4.891,1.967,,,22.22620238,1.035507528,5.203,,0.323,,3.54E-07,8.86E-07,0.06060545
*Nc1ccc(*)cc1C(C)C,0.26,3.709,1.79,,,17.70497231,0.91867277,4.626,,0.292,,2.30E-07,,
*Nc1ccc(*)cc1C(C)CC,0.315,3.876,2.396,,,15.90971074,0.927110425,5.96,,0.244,,2.65E-07,,
*Nc1ccc(*)cc1CCC,0.303,,,,,18.99334341,0.955944653,,,,,2.52E-07,,
*Nc1ccc(*)cc1CCCCCCCCCCCCCCC,0.351,4.717,1.457,,,16.45604164,,3.963,,0.36,,,,
*Nc1ccc(*)cc1Cl,0.272,,,,,28.7092124,1.282885823,,,,,2.35E-07,,
*Nc1ccc(*)cc1F,0.391,,,,,26.64722464,1.281567509,,,,,3.09E-07,,
*Nc1ccc(*)cc1N,0.484,7.62,2.54,,,23.20048367,1.219693637,6.858,,0.35,,3.93E-07,,
*Nc1ccc(*)cc1OCCCC,0.304,,,,,17.041116,0.999733012,,,,,2.36E-07,,
*Nc1ccc(*)cc1OCCCCCC,0.335,,,,,19.01353583,0.978006073,,,,,2.51E-07,,
*Nc1ccc(*)cc1OCCCCCCCCCCCC,0.292,,,,,15.33172741,0.925420421,,,,,2.11E-07,8.84E-08,0.010792411
*Nc1ccc(*)cc1OCCCCCCCCCCCCCCCC,0.404,4.989,1.524,416.59,,14.9826959,,4.149,,0.361,,,2.06E-06,0.008530388
*Nc1ccc(-c2ccc(*)cc2)c(C)c1,0.58,,,,,33.57283815,1.022611513,,,,,5.25E-07,,
*Nc1ccc(-c2ccc(*)cc2)c(OC)c1,0.492,,,,,31.13062973,1.081858951,,,,,4.22E-07,,
*Nc1ccc(-c2ccc(*)cc2)cc1,0.578,,,,,30.02646733,1.085849222,,,,,5.18E-07,,
*OC(*)(C)C,,,,,22.544331,25.528033,0.911847,,1.424815,,2.546177,,,
*OC(*)C,,,,,23.89692,16.017742,1.014894,,1.450197,,2.69894,,0.006368603,0.036322701
*OC(*)C(Cl)(Cl)Cl,0.069,3.318,0.705,,,19.87915404,,1.975,,0.401,,,,
*OC(*)CCC,,,,,21.668392,13.323483,0.895652,,1.426524,,2.447248,,0.02032388,0.020080066
*OC(*)CCC#N,0.167,3.742,1.828,,34.248763,15.019867,1.098816,4.716,1.465757,0.29,3.868086,1.19E-07,,
*OC(*)CCCC,,,,,19.339194,10.533543,0.878944,,1.413346,,2.184186,,,
*OC(*)CCCCC,,,,,19.846998,11.767972,0.852991,,1.422194,,2.241538,,,
*OC(*)CCCCCC,0.238,,,,19.261174,11.042427,0.858886,,1.424097,,2.175374,,,
*OC(*)CCCCCCC,,,,,19.607994,10.425042,0.853596,,1.415805,,2.214545,,,
*OC(*)CCCCCCCC,,,,,19.425356,10.1923,0.846646,,1.431071,,2.193917,,,
*OC(=O)C(Cc1ccccc1)NC(=O)CCCCCCCCCCC(=O)NC(Cc1ccccc1)C(=O)OC1COC2C(*)COC12,0.222,,,,,19.79324352,,,,,,,,
*OC(=O)CCCCCC(*)=O,0.237,,,,,17.5417392,,,,,,,,
*OC(=O)CCS(=O)(=O)Cc1ccc(CS(=O)(=O)CCC(*)=O)cc1,0.191,,,,,17.37886622,1.327446356,,,,,1.32E-07,,
*OC(=O)CCSCc1ccc(CSCCC(*)=O)cc1,0.187,5.213,2.276,,,21.88347082,1.19764915,5.961,,0.309,,1.35E-07,,
*OC(=O)CCSc1ccc(SCCC(*)=O)cc1,0.198,6.441,2.706,,,20.89069878,1.257053945,7.121,,0.316,,1.45E-07,,
*OC(=O)CCc1ccc(CCC(*)=O)cc1,0.232,,,,,19.60221008,1.129321919,,,,,1.73E-07,,
*OC(=O)CSCc1ccc(CSCC(*)=O)cc1,0.153,5.688,2.571,,,18.94733704,1.266518249,6.703,,0.304,,1.11E-07,,
*OC(=O)OCCOC(=O)NC(=O)NNC(=O)NC(=O)OCCOC(=O)OC1CC2CC(*)CC(C1)O2,0.235,,,,,,,,,,,,,
*OC(=O)c1ccc(C(*)=O)cc1,,,,,25.548644,20.381417,1.25813,,1.573773,,2.885487,,,
*OC(=O)c1ccc(C(C)(C)c2ccc(C(*)=O)cc2)cc1,0.218,,,,26.043574,18.705267,1.060471,,1.529388,,2.941385,1.90E-07,8.98E-07,0.011694077
*OC(=O)c1ccc(Cc2ccc(C(*)=O)cc2)cc1,0.233,,,,,22.23119496,1.131897753,,,,,1.99E-07,1.61E-07,0.009870223
*OC(=O)c1ccc(SCCCCSc2ccc(C(*)=O)cc2)cc1,,,,,,23.505967,1.208305,,,,,,,
*OC(=O)c1cccc(C(=O)Oc2ccc3c(c2)Oc2cc(*)ccc2C32OC(=O)c3ccccc32)c1,,,,,,19.139067,1.218958,,,,,,,
*OC(C(*)=O)C(C)C,,,,,20.138289,17.6683,0.963853,,1.40051,,2.274437,,,
*OC(C)C(*)=O,,,,,,23.057433,1.06851,,,,,,0.000782112,0.017737983
*OC(C)CC(*)=O,,,,,,14.31285,1.063013,,,,,,0.000953365,0.015869286
*OC(C)CCCC(C)C(*)=O,,,,,,16.59775,0.935855,,,,,,0.0009368,0.025147103
*OC(C)CCCCC(*)=O,0.243,,,,,,,,,,,,,
*OC(C)CCOC(=O)c1ccc(-c2ccc(C(*)=O)cc2)cc1,,,,,,24.872017,1.126774,,,,,,0.005360367,0.012775576
*OC(C)CCOC(=O)c1cccc(-c2cccc(C(*)=O)c2)c1,0.194,4.849,1.819,,,17.17843771,1.104079356,4.85,,0.333,,1.53E-07,,
*OC(C)CCOC(=O)c1ccccc1-c1ccccc1C(*)=O,0.193,4.264,1.623,,,14.09624064,1.124369133,4.321,,0.331,,1.49E-07,,
*OC(C)COC(=O)/C=C(/CC(*)=O)c1cc(C)ccc1OC,0.197,3.631,1.57,,,14.84480886,1.062891963,4.117,,0.311,,1.48E-07,,
*OC(C)COC(=O)/C=C(/CC(*)=O)c1ccc(OCC)cc1,0.187,4.173,1.83,,,13.87522359,1.069663888,4.79,,0.309,,1.39E-07,,
*OC(C)COC(=O)CCCCSCCCCC(*)=O,0.214,4.661,1.365,,,19.60884662,,3.731,,0.367,,,,
*OC(C)COC(=O)c1ccc(-c2ccc(C(*)=O)cc2)cc1,0.282,6.038,2.437,,,27.33671213,1.136564089,6.444,,0.322,,2.22E-07,,
*OC(C)COC(=O)c1ccc(C(*)=O)cc1,,,,,,20.41235,1.165455,,,,,,0.009043587,0.009954311
*OC(C)COC(=O)c1cccc(-c2cccc(C(*)=O)c2)c1,0.199,4.758,1.911,,,17.83353106,1.12852931,5.056,,0.323,,1.58E-07,,
*OC(C)COC(=O)c1cccc(C(*)=O)c1,,,,,,16.739683,1.151352,,,,,,0.00197791,0.010520433
*OC(C)COC(=O)c1ccccc1-c1ccccc1C(*)=O,0.175,3.926,1.531,,,13.87250725,1.126200767,4.065,,0.327,,1.39E-07,,
*OC(C)COC(=O)c1ccccc1C(*)=O,,,,,,16.266733,1.16997,,,,,,0.007156737,0.010852448
*OC(C)COCC(C)OC(=O)c1ccccc1C(*)=O,,,,,,14.761933,1.115238,,,,,,,
*OC(CC(*)=O)C(C)(C)C,,,,,20.193473,13.967083,0.954092,,1.41078,,2.280669,,,
*OC(CC(*)=O)C(C)(Cl)Cl,,,,,,16.486767,1.316126,,,,,,0.035987945,0.008111637
*OC(CC(*)=O)C(Cl)(Cl)Cl,,,,,,19.474683,1.512696,,,,,,0.013142579,0.005301602
*OC(CC(*)=O)C(Cl)Cl,,,,,22.897984,17.360133,1.431189,,1.479935,,2.586119,,,
*OC(CC)CC(*)=O,,,,,,15.572717,1.015036,,,,,,0.003264036,0.01842289
*OC(CCl)C(*)CCl,,,,,,17.283933,1.334817,,,,,,0.056183668,0.008439211
*OC(F)(F)C(F)(F)C(F)(F)C(*)(F)F,,,,,,18.417533,1.696413,,,,,,3.77E-05,0.048949149
*OC(F)(F)COC(=O)c1cc(OCCCCC)cc(C(=O)OCC(*)(F)F)c1,,,,,,16.19165,1.237324,,,,,,,
*OC(F)(F)COC(=O)c1cccc(C(=O)OCC(*)(F)F)c1,,,,,,20.627933,1.409772,,,,,,,
*OC(F)(F)COC(=O)c1cccc(C(F)(F)C(F)(F)C(F)(F)c2cccc(C(=O)OCC(*)(F)F)c2)c1,,,,,,17.555433,1.414333,,,,,,,
*OC(c1ccc(Cl)cc1)C(C)(C)C(*)=O,0.112,3.626,2.238,,21.648149,15.284967,1.106174,5.568,1.488701,0.244,2.444962,9.30E-08,,
*OC(c1ccc(OC)cc1)C(C)(C)C(*)=O,0.17,3.406,1.888,,,13.82895919,1.020816999,4.781,,0.266,,1.37E-07,,
*OC(c1ccccc1)C(C)(C)C(*)=O,,,,,20.860922,15.2037,1.017242,,1.480751,,2.356051,,,
*OC1=C2C=CC=C(OC3=CC=C(C=C3)S(=O)(=O)C3=CC=C(*)C=C3)C2=CC=C1,0.176,,,,,,,,,,,,,
*OC1=CC2=C(C=C1)N=C(C1=CC=CC=C1)C(=N2)C1=CC=C(C=C1)C1=NC2=C(C=CC(*)=C2)N=C1C1=CC=CC=C1,0.231,,,,,,,,,,,,,
*OC1=CC=C(C(=O)C2=CC=C(OC3=CC=C(C=C3)C3(C4C=CC=CC4C4C=CC=CC34)C3=CC=C(*)C=C3)C=C2)C2=C1C=CC=C2,0.175,,,,,,,,,,,,,
*OC1=CC=C(C=C1)C(=O)C1=CC(=CC=C1)C1=CC(=CC=C1)C(=O)C1=CC=C(OC2=CC=C(C=C2)C2(C3C=CC=CC3C3C=CC=CC23)C2=CC=C(*)C=C2)C=C1,0.2,,,,,,,,,,,,,
*OC1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)C1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(*)C=C2)C=C1,0.294,,,,,,,,,,,,,
*OC1=CC=C(C=C1)C1(C2=C(C=CC=C2)C2=C1C=CC=C2)C1=CC=C(OC(=O)C2=CC=CC(=C2)C(*)=O)C=C1,0.172,,,,,,,,,,,,,
*OC1=CC=C(C=C1)C1(C2C=CC=CC2C2C=CC=CC12)C1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(*)C=C2)C=C1,0.162,,,,,,,,,,,,,
*OC1=CC=C(C=C1)C1(C2CC3CC(C2)CC1C3)C1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(*)C=C2)C=C1,0.172,,,,,,,,,,,,,
*OC1=CC=C(C=C1)C1(NC(=O)C2C=CC=CC12)C1=CC=C(OC2=CC=C(C=C2)C(=O)C2=CC=C(*)C=C2)C=C1,0.243,,,,,,,,,,,,,
*OC1=CC=C(C=C1)C1(OC(=O)C2=C1C=CC=C2)C1=CC=C(OC(=O)C2=CC=CC(=C2)C(*)=O)C=C1,0.253,,,,,,,,,,,,,
*OC1=CC=C(C=C1)C1(OC(=O)C2=C1C=CC=C2)C1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(*)C=C2)C=C1,0.19,,,,,,,,,,,,,
*OC1=CC=C(C=C1)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(OC(=C)C2=CC=C(C=C2)C2=CC=C(C=C2)C(*)=O)C=C1,0.294,,,,,,,,,,,,,
*OC1=CC=C(C=C1)C1(OC(=O)C2C=CC=CC12)C1=CC=C(OC2=CC=C(C=C2)C(=O)C2=CC=C(*)C=C2)C=C1,0.207,,,,,,,,,,,,,
*OC1=CC=C(C=C1)C1(OC(=O)C2C=CC=CC12)C1=CC=C(OC2=CC=C(C=C2)C(=O)C2=CC=C(C=C2)C(=O)C2=CC=C(*)C=C2)C=C1,0.268,,,,,,,,,,,,,
*OC1=CC=C(C=C1)C12CC3CC(C1)CC(C3)(C2)C1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(*)C=C2)C=C1,0.213,,,,,,,,,,,,,
*OC1=CC=C(C=C1)C1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(*)C=C2)C=C1,0.214,,,,,,,,,,,,,
*OC1=CC=C(C=C1)C1=NN(C(=O)C2C=CC=CC12)C1=CC=C(C=C1)C(=O)C1=CC=C(*)C=C1,0.247,,,,,,,,,,,,,
*OC1=CC=C(C=C1)C1=NN(C2=CC=C(C=C2)S(=O)(=O)C2=CC=C(*)C=C2)C(=O)C2=C1C=CC=C2,0.209,,,,,,,,,,,,,
*OC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(OC2=CC3=CC(*)=CC=C3C=C2)C=C1,0.187,,,,,,,,,,,,,
*OC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(OC2=CC3=CC=C(*)C=C3C=C2)C=C1,0.248,,,,,,,,,,,,,
*OC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(OC2=CC=C(C=C2)C2(C3=C(C=CC=C3)C3=C2C=CC=C3)C2=CC=C(*)C=C2)C=C1,0.209,,,,,,,,,,,,,
*OC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(OC2=CC=C(C=C2)C2=CC=C(*)C=C2)C=C1,0.247,,,,,,,,,,,,,
*OC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(OC2=CC=C(OC3=CC=C(*)C=C3)C=C2)C=C1,0.238,,,,,,,,,,,,,
*OC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(OC2=CC=CC3=C(*)C=CC=C23)C=C1,0.207,,,,,,,,,,,,,
*OC1=CC=C(OC2=CC=C(C=C2)C(=O)C2=CC=C(*)C=C2)C=C1,0.277,,,,,,,,,,,,,
*OC1=CC=C(OC2=CC=C(OC3=CC=C(C=C3)S(=O)(=O)C3=CC=C(*)C=C3)C=C2)C=C1,0.296,,,,,,,,,,,,,
*OC1C(C)(C)C(*)C1(C)C,,6.409,2.8,,,,,7.332,,0.309,,,,
*OC1C(C)(C)C(OC(=O)C2CCC(C(*)=O)CC2)C1(C)C,,,,,,22.867383,0.986198,,,,,,0.009134993,0.007923559
*OC1C(C)(C)C(OC(=O)c2ccc(C(*)=O)cc2)C1(C)C,,,,,,16.599,1.034462,,,,,,0.001859897,0.025063003
*OC1C(CO)OC(*)C(NC(C)=O)C1O,,,,,23.226531,23.860367,0.98095,,1.355771,,2.623225,,,
*OC1CCC(OC(=O)CCC(*)=O)CC1,0.194,5.311,2.068,,,19.87042946,1.086296027,5.491,,0.328,,1.32E-07,,
*OC1CCC(OC(=O)CCCCC(*)=O)CC1,,,,,,16.031133,1.058776,,,,,,0.027986736,0.013033669
*OC1CCC(OC(=O)CCCCCCCCC(*)=O)CC1,,,,,,24.017467,0.989317,,,,,,0.01338627,0.006465862
*OC1CCCCC1*,0.175,5.124,1.924,306.91,,14.64375576,,5.13,,0.333,,,2.82E-07,0.022261336
*OCCCCCC(*)=O,0.243,,,,,,,,,,,,,
*ON(C(F)(F)C(*)(F)F)C(F)(F)C(F)(F)Br,,,,,,15.955483,1.94618,,,,,,,
*ON(C(F)(F)F)C(F)(Br)C(*)(F)F,,,,,,18.28795,2.017905,,,,,,,
*ON(C(F)(F)F)C(F)(C(*)(F)F)C(F)(F)F,,,,,,15.405267,1.681047,,,,,,,
*ON(C(F)(F)F)C(F)(Cl)C(*)(F)F,,,,,16.477391,18.176417,1.717055,,1.324026,,1.860971,,,
*ON(C(F)(F)F)C(F)(F)C(*)(F)F,0.096,3.344,2.066,,,17.38223128,,5.14,,0.244,,,,
*OS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)Oc3ccc(-c4ccc(*)cc4)cc3)cc2)cc1,0.225,,,,,23.22098571,,,,,,,,
*OS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(S(=O)(=O)Oc3ccc(S(=O)(=O)c4ccc(*)cc4)cc3)cc2)cc1,0.175,,,,,20.45404014,1.375232842,,,,,1.37E-07,,
*OS(=O)(=O)c1cccc(C(=O)Oc2ccc(C(C)(C)c3ccc(*)cc3)cc2)c1,0.169,,,,,,,,,,,,,
*OS(=O)(=O)c1cccc(C(=O)c2cccc(S(=O)(=O)Oc3ccc(C(C)(C)c4ccc(*)cc4)cc3)c2)c1,0.155,,,,,16.18613012,,,,,,,,
*OS(=O)(=O)c1cccc(S(=O)(=O)Oc2ccc(C(C)(C)c3ccc(*)cc3)cc2)c1,0.158,,,,,17.35712071,,,,,,,5.09E-06,0.017089155
*OS(=O)(=O)c1cccc(S(=O)(=O)Oc2ccc(C3(c4ccc(*)cc4)CCCCC3)cc2)c1,0.151,,,376.16,,13.85877254,,,,,,,1.19E-06,0.034095471
*Oc1c(-c2ccccc2)cc(*)cc1-c1ccccc1,,4.224,3.108,472.22,,16.01472431,,7.488,,0.205,,,,
*Oc1c(-c2ccccc2)cc(-c2cc(-c3ccccc3)c(OC(=O)CCCCCCCCC(*)=O)c(-c3ccccc3)c2)cc1-c1ccccc1,,,,,,18.257483,1.052987,,,,,,0.006278446,0.010057863
*Oc1c(-c2ccccc2)cc(Cc2cc(-c3ccccc3)c(OC(=O)CCCCC(*)=O)c(-c3ccccc3)c2)cc1-c1ccccc1,,,,,,13.290833,1.065074,,,,,,0.003576709,0.010566323
*Oc1c(-c2ccccc2)cc(Cc2cc(-c3ccccc3)c(OC(=O)CCCCCC(*)=O)c(-c3ccccc3)c2)cc1-c1ccccc1,,,,,,13.496683,1.078251,,,,,,0.002707795,0.012980666
*Oc1c(Br)cc(C(C)(C)c2cc(Br)c(OC(*)=O)c(Br)c2)cc1Br,,,,,,20.57830177,,,,,,,,
*Oc1c(C(C)C)cc(C(*)=O)cc1C(C)C,0.227,,,,,22.77491296,0.867539905,,,,,2.06E-07,,
*Oc1c(C(C)C)cc(C(=O)c2cccc(C(=O)c3ccc(*)cc3)c2)cc1C(C)C,,,,,,14.31405,1.037301,,,,,,,
*Oc1c(C)c(C)c(NC(=O)c2ccc(C(=O)Nc3ccc(*)cc3)cc2)c(C)c1C,,,,,,17.30425,1.058277,,,,,,,
*Oc1c(C)c(C)c(Oc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(*)cc4)cc3)cc2)c(C)c1C,,,,,,25.554867,1.093031,,,,,,,
*Oc1c(C)cc(*)cc1-c1ccccc1,0.195,1.587,1.132,467.51,,15.34004889,,2.744,,0.212,,,8.89E-05,0.007610061
*Oc1c(C)cc(*)cc1C,0.219,3.399,1.434,543.48,,16.3810139,,3.772,,0.315,,,4.76E-07,0.005142699
*Oc1c(C)cc(*)cc1C(C)CCCCCCCCCCCC,0.274,3.526,1.348,,,13.36074767,0.865601196,3.587,,0.33,,2.04E-07,1.39E-06,0.013858966
*Oc1c(C)cc(-c2cc(C)c(OC(=O)CCCCC(*)=O)c(C)c2)cc1C,,,,,,22.3832,1.081859,,,,,,0.011765857,0.007781703
*Oc1c(C)cc(-c2cc(C)c(OC(=O)CCCCCC(*)=O)c(C)c2)cc1C,,,,,,20.472483,1.052016,,,,,,0.007216466,0.012794734
*Oc1c(C)cc(-c2cc(C)c(OC(=O)CCCCCCCCC(*)=O)c(C)c2)cc1C,,,,,,21.06655,1.027821,,,,,,0.001413534,0.01064328
*Oc1c(C)cc(/N=N/c2ccc(C(*)=O)cc2)cc1C,0.432,,,,,40.92285565,1.072482224,,,,,,,
*Oc1c(C)cc(C(C)(C)c2cc(C)c(OC(*)=O)c(C)c2)cc1C,,,,525.34,,16.50490111,,,,,,,,
*Oc1c(C)cc(C(C)(C)c2cc(C)c(OC(*)=O)c(Cl)c2)cc1Cl,0.131,,,,,18.74038926,1.096453101,,,,,1.11E-07,2.54E-05,0.030069077
*Oc1c(C)cc(C(C)(C)c2cc(C)c(OC(=O)CCCCC(*)=O)c(C)c2)cc1C,0.193,4.034,2.504,,,16.39165969,0.987237719,6.224,,0.243,,1.52E-07,4.24E-06,0.014974821
*Oc1c(C)cc(C(C)(C)c2cc(C)c(OC(=O)CCCCCC(*)=O)c(C)c2)cc1C,0.243,4.386,2.216,,,19.83583743,0.978439051,5.69,,0.284,,1.90E-07,8.64E-06,0.013922859
*Oc1c(C)cc(C(C)(C)c2cc(C)c(OC(=O)CCCCCCCCC(*)=O)c(C)c2)cc1C,0.224,4.271,2.184,,,20.50273654,0.977868541,5.598,,0.282,,1.69E-07,5.93E-06,0.034713719
*Oc1c(C)cc(C(C)(C)c2cc(C)c(OC(=O)c3ccc(C(*)=O)cc3)c(C)c2)cc1C,,,,,,21.921883,1.027504,,,,,,0.069637509,0.004647109
*Oc1c(C)cc(C(C)(C)c2cc(C)c(OC(=O)c3cccc(C(*)=O)c3)c(C)c2)cc1C,,,,,,17.81755,1.012936,,,,,,0.014218231,0.007387874
*Oc1c(C)cc(C(c2cc(C)c(OC(*)=O)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C,,,,561.49,,19.31895908,,,,,,,,
*Oc1c(C)cc(CC(*)C=C)cc1C,0.196,,,,,15.21295161,0.959369332,,,,,1.58E-07,,
*Oc1c(CC(C)C)cc(*)cc1-c1ccccc1,0.214,,,,,13.90123926,0.929828939,,,,,1.91E-07,,
*Oc1c(CCC)cc(*)cc1-c1ccccc1,0.212,,,,,16.50413821,0.967827917,,,,,1.85E-07,,
*Oc1c(CCCCC)cc(*)cc1-c1ccccc1,0.25,,,,,15.98066993,0.972596446,,,,,2.04E-07,,
*Oc1c(CCCCCCC)cc(*)cc1-c1ccccc1,0.229,,,,,14.23995028,0.947356579,,,,,1.84E-07,,
*Oc1c(CCCCCCCCC)cc(*)cc1-c1ccccc1,0.257,,,,,12.74523355,0.93467907,,,,,2.02E-07,,
*Oc1c(Cl)cc(C(C)(C)c2cc(Cl)c(OC(*)=O)c(Cl)c2)cc1Cl,,,,,,18.84807492,,,,,,,,
*Oc1c(Cl)cc(C(C)(C)c2cc(Cl)c(OC(=O)CCCCC(*)=O)c(Cl)c2)cc1Cl,0.153,4.914,2.063,,,18.61292126,1.231797002,5.429,,0.316,,1.20E-07,2.46E-07,0.010486644
*Oc1c(Cl)cc(C(c2cc(Cl)c(OC(*)=O)c(Cl)c2)C(Cl)(Cl)Cl)cc1Cl,0.105,3.347,1.189,,,20.94332547,1.365905733,3.189,,0.341,,9.15E-08,1.92E-06,0.00877669
*Oc1c(Cl)cc(C2(c3cc(Cl)c(OC(*)=O)c(Cl)c3)CCCCC2)cc1Cl,0.109,,,498.16,,15.36957226,,,,,,,6.64E-07,0.015726546
*Oc1c(OC)cc(*)cc1OC,,,,,,,,,,,,,0.001120593,0.005707881
*Oc1c([2H])c([2H])c(C(c2c([2H])c([2H])c(OC(*)=O)c([2H])c2[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c1[2H],0.202,3.702,2.177,,24.501646,23.198483,1.110963,5.461,1.545069,0.254,2.767238,1.60E-07,,
*Oc1cc(C)c(*)cc1C,0.331,,,,,21.51434828,0.959749343,,,,,2.89E-07,,
*Oc1cc(C)c(CC(*)C=C)cc1C,0.197,3.387,1.485,,22.578076,17.6123,0.946355,3.887,1.5028,0.309,2.549988,1.61E-07,,
*Oc1cc(C)cc(OC(=O)c2cccc(C(*)=O)c2)c1,,,,,,23.69435,1.162738,,,,,,0.010730249,0.014799144
*Oc1cc(CC)cc(OC(=O)c2cccc(C(*)=O)c2)c1,,,,,,17.507483,1.11171,,,,,,0.011330841,0.021066323
*Oc1cc(CCC)cc(OC(=O)c2cccc(C(*)=O)c2)c1,0.234,4.908,1.504,354.56,,19.71902254,,4.094,,0.361,,,2.40E-07,0.013974097
*Oc1cc(CCCC)cc(OC(=O)c2cccc(C(*)=O)c2)c1,,,,,,17.441067,1.100663,,,,,,0.018122444,0.018128063
*Oc1cc(CCCCCC)cc(OC(=O)c2cccc(C(*)=O)c2)c1,,,,,,16.857667,1.062554,,,,,,0.00674581,0.010711405
*Oc1cc(CCCCCCCC)cc(OC(=O)c2cccc(C(*)=O)c2)c1,,,,,,19.529033,1.044084,,,,,,0.036771843,0.010114625
*Oc1cc(CCCCCCCCC)cc(OC(=O)c2cccc(C(*)=O)c2)c1,,,,,,19.48885,1.024594,,,,,,0.032399876,0.016951249
*Oc1cc(CCCCCCCCCCC)cc(OC(=O)c2cccc(C(*)=O)c2)c1,,,,,,19.27395,1.019283,,,,,,0.055429588,0.012081398
*Oc1cc(CCCCCCCCCCCCC)cc(OC(=O)c2cccc(C(*)=O)c2)c1,,,,,,13.7776,1.000393,,,,,,0.003834628,0.017000784
*Oc1cc(Cl)c(C(C)(C)c2c(Cl)cc(OC(*)=O)cc2Cl)c(Cl)c1,0.169,,,,27.649023,17.1042,1.402018,,1.570219,,3.122706,1.28E-07,2.75E-07,0.00826753
*Oc1cc(Oc2ccc(C(C)(C)c3ccc(*)cc3)cc2)cc([N+](=O)[O-])c1,,,,,,18.746583,1.098236,,,,,,0.003041224,0.016879324
*Oc1ccc(*)cc1,0.396,3.857,2.223,,,24.62757132,1.18040751,5.594,,0.258,,3.23E-07,,
*Oc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(OC(=O)c4ccc(C(*)=O)cc4-c4ccccc4)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1,,,,,,26.861283,0.994207,,,,,,0.003937525,0.011194344
*Oc1ccc(-c2ccc(-c3cc(-c4ccccc4)c(-c4ccc(-c5ccc(OC(=O)c6ccc(C(*)=O)cc6-c6ccccc6)cc5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)cc1,0.315,5.277,3.212,,,27.63852935,,8.011,,0.247,,,3.13E-07,0.008515683
*Oc1ccc(-c2ccc(-c3ccc(Oc4ccc(C(=O)c5cccc(C(=O)c6ccc(*)cc6)c5)cc4)cc3)cc2)cc1,,,,,,25.733983,1.127746,,,,,,,
*Oc1ccc(-c2ccc(C(*)=O)cc2)cc1,0.34,,,,,41.55550814,1.160721187,,,,,2.91E-07,,
*Oc1ccc(-c2ccc(OC(*)(Oc3ccccc3)Oc3ccccc3)c(C)c2)cc1C,,,,,,15.87585,0.963962,,,,,,0.003458881,0.018961929
*Oc1ccc(-c2ccc(OC(*)(Oc3ccccc3)Oc3ccccc3)cc2)cc1,,,,,,16.067617,0.946834,,,,,,0.004132141,0.003632768
*Oc1ccc(-c2ccc(OC(=O)/C=C/c3ccc(/C=C/C(*)=O)cc3)cc2)cc1,,,,,,30.28965,1.143132,,,,,,0.001087436,0.004875154
*Oc1ccc(-c2ccc(OC(=O)CCCCCC(*)=O)cc2)cc1,0.268,5.18,2.351,,,27.99499142,1.114447933,6.126,,0.303,,2.02E-07,,
*Oc1ccc(-c2ccc(OC(=O)CCCCCCC(*)=O)cc2)cc1,0.389,5.302,2.429,,,26.59837586,1.096125205,6.322,,0.301,,2.91E-07,,
*Oc1ccc(-c2ccc(OC(=O)CCCCCCCC(*)=O)cc2)cc1,0.385,5.375,2.289,,,26.16635559,1.085228818,6.013,,0.314,,2.85E-07,,
*Oc1ccc(-c2ccc(OC(=O)CCCCCCCCC(*)=O)cc2)cc1,0.25,5.385,2.319,,,24.36849939,1.067006462,6.084,,0.312,,1.85E-07,,
*Oc1ccc(-c2ccc(OC(=O)CCCCCCCCCC(*)=O)cc2)cc1,0.312,5.27,2.292,,,24.84666932,1.052217358,6.005,,0.31,,2.30E-07,,
*Oc1ccc(-c2ccc(OC(=O)CCCCCCCCCCC(*)=O)cc2)cc1,0.238,4.85,2.193,,,25.96597381,1.048800246,5.717,,0.304,,1.74E-07,,
*Oc1ccc(-c2ccc(OC(=O)CCCCCCCCCCCC(*)=O)cc2)cc1,0.429,5.275,2.309,,,27.58234236,1.035543983,6.045,,0.309,,3.13E-07,,
*Oc1ccc(-c2ccc(OC(=O)CCCCCCCCCCCCC(*)=O)cc2)cc1,,,,,,25.416917,1.035429,,,,,,0.056712622,0.007496379
*Oc1ccc(-c2ccc(OC(=O)c3cc(CCCCC)cc(C(*)=O)c3)cc2)cc1,,,,,,25.1486,1.087005,,,,,,0.01720499,0.011650981
*Oc1ccc(-c2ccc(OC(=O)c3ccc(C(*)=O)cc3)cc2)cc1-c1ccccc1,,,,,,27.4458,1.119574,,,,,,0.012528379,0.008628357
*Oc1ccc(-c2ccc(OC(=O)c3cccc(C(*)=O)c3)cc2)cc1,,,,,,31.021033,1.166916,,,,,,0.001529337,0.01200936
*Oc1ccc(-c2ccc(Oc3ccc(C(=O)c4cccc(C(=O)c5ccc(*)cc5)c4)cc3)cc2)cc1,,,,,,28.220917,1.115029,,,,,,,
*Oc1ccc(-c2ccc(Oc3ccc(C(=O)c4ccccc4-c4ccccc4C(=O)c4ccc(*)cc4)cc3)cc2)cc1,,,,,,19.849167,1.04422,,,,,,,
*Oc1ccc(/C=C/C(*)=O)cc1,,,,,27.846823,25.61145,1.175796,,1.683788,,3.145045,,,
*Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)c(C)c4)cc3C)cc2)cc1,,,,,,21.9618,1.024743,,,,,,,
*Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)cc4)cc3)cc2)cc1,,,,,,20.618033,1.045728,,,,,,,
*Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccc(C(C)(c4ccccc4)c4ccc(*)cc4)cc3)cc2)cc1,,,,,,20.795183,1.06757,,,,,,,
*Oc1ccc(/C=N/c2ccc(/N=C/c3ccc(OC(=O)CCCCC(*)=O)c(OC)c3)cc2)cc1OC,0.283,4.804,2.573,,,28.9532423,,6.55,,0.273,,,,
*Oc1ccc(/C=N/c2ccc(/N=C/c3ccc(OC(=O)CCCCCCCCC(*)=O)c(OC)c3)cc2)cc1OC,0.274,4.69,2.272,,,22.11628699,,5.868,,0.291,,,,
*Oc1ccc(/C=N/c2ccc(/N=C/c3ccc(OC(=O)c4cccc(C(*)=O)c4)c(OC)c3)cc2)cc1OC,0.37,4.524,2.317,,,27.72906633,,5.937,,0.281,,,,
*Oc1ccc(/N=C/C=N/c2ccc(OC(=O)NC3CC(C)(C)CC(C)(CNC(*)=O)C3)cc2)cc1,0.349,,,,,22.31017331,,,,,,,,
*Oc1ccc(/N=C/C=N/c2ccc(OC(=O)NCCCCCCNC(*)=O)cc2)cc1,0.325,,,,,22.35917082,,,,,,,,
*Oc1ccc(/N=C/C=N/c2ccc(OC(=O)Nc3cc(NC(*)=O)ccc3C)cc2)cc1,0.297,,,,,21.23732946,,,,,,,,
*Oc1ccc(/N=C/C=N/c2ccc(OC(=O)Nc3ccc(Cc4ccc(NC(*)=O)cc4)cc3)cc2)cc1,0.417,,,,,26.60171456,,,,,,,,
*Oc1ccc(/N=C/CCC/C=N/c2ccc(OC(=O)NC3CC(C)(C)CC(C)(CNC(*)=O)C3)cc2)cc1,0.207,,,,,19.03025443,,,,,,,,
*Oc1ccc(/N=C/CCC/C=N/c2ccc(OC(=O)NCCCCCCNC(*)=O)cc2)cc1,0.294,,,,,26.04289983,,,,,,,,
*Oc1ccc(/N=C/CCC/C=N/c2ccc(OC(=O)Nc3cc(NC(*)=O)ccc3C)cc2)cc1,0.252,,,,,23.67751822,,,,,,,,
*Oc1ccc(/N=C/CCC/C=N/c2ccc(OC(=O)Nc3ccc(Cc4ccc(NC(*)=O)cc4)cc3)cc2)cc1,0.326,,,,,24.10491163,,,,,,,,
*Oc1ccc(/N=N/c2ccc(*)cc2)cc1,0.362,6.846,2.523,,,22.57825354,1.124419507,6.741,,0.336,,,,
*Oc1ccc(/N=N/c2ccc(C(*)=O)cc2)c(CCCCCCCCCCCCCCC)c1,0.261,,,,,27.49086213,0.965679908,,,,,,,
*Oc1ccc(/N=N/c2ccc(C(*)=O)cc2)cc1,0.255,,,,,34.85738427,1.171766108,,,,,,,
*Oc1ccc(/N=N/c2ccc(C(*)=O)cc2)cc1C,0.44,,,,,40.24432209,1.13925078,,,,,,,
*Oc1ccc(/N=N/c2ccc(OC(=O)CC(C)CCC(*)=O)cc2C)c(C)c1,0.269,,,,,23.98969563,1.085747183,,,,,,,
*Oc1ccc(C(*)=O)cc1,,,,,24.514519,34.725233,1.212982,,1.594497,,2.768692,,0.000562488,0.007513139
*Oc1ccc(C(*)=O)cc1CCCCCC,0.421,,,,,28.7838263,0.977038436,,,,,3.27E-07,,
*Oc1ccc(C(*)=O)cc1CCCCCCCCCC,0.316,,,,,22.23167957,0.948614378,,,,,2.34E-07,,
*Oc1ccc(C(*)=O)cc1CCCCCCCCCCCC,0.369,,,,,20.98252807,0.925162069,,,,,2.73E-07,,
*Oc1ccc(C(*)=O)cc1CCCCCCCCCCCCCC,0.376,,,,20.682963,17.941467,0.924912,,1.473716,,2.335953,2.72E-07,,
*Oc1ccc(C(*)=O)cc1CCCCCCCCCCCCCCCC,0.389,,,,,18.51407951,0.91368793,,,,,2.80E-07,,
*Oc1ccc(C(*)=O)cc1CCCCCCCCCCCCCCCCCC,0.346,,,,,17.54544906,0.911357895,,,,,2.47E-07,,
*Oc1ccc(C(=O)CCCCC(=O)c2ccc(OC(*)=O)cc2)cc1,0.243,,,,,23.87403112,,,,,,,,
*Oc1ccc(C(=O)NCC(C)(C)CCCNC(=O)c2ccc(*)cc2)cc1,,,,,,17.839217,1.058369,,,,,,,
*Oc1ccc(C(=O)Nc2cc(SCCC#N)c(NC(=O)c3ccc(*)cc3)cc2SCCC#N)cc1,,,,,,27.827683,1.178097,,,,,,,
*Oc1ccc(C(=O)Nc2ccc(SCCC(*)=O)cc2)cc1,0.272,,,,,,,,,,,,,
*Oc1ccc(C(=O)OCCCCCCOC(=O)c2ccc(*)cc2)cc1,,,,,,22.781,1.09082,,,,,,,
*Oc1ccc(C(=O)OCCCCCOC(=O)c2ccc(*)cc2)cc1,,,,,,23.200217,1.111667,,,,,,,
*Oc1ccc(C(=O)OCCCCOC(=O)c2ccc(*)cc2)cc1,,,,,,21.4912,1.13918,,,,,,,
*Oc1ccc(C(=O)OCCCOC(=O)c2ccc(*)cc2)cc1,,,,,,23.798983,1.166085,,,,,,,
*Oc1ccc(C(=O)OCCOC(=O)c2ccc(*)cc2)cc1,,,,,,23.971367,1.183738,,,,,,,
*Oc1ccc(C(=O)c2ccc(*)cc2)cc1,0.287,,,,,25.66079856,,,,,,,,
*Oc1ccc(C(=O)c2ccc(C(=O)c3ccc(*)c(C(C)C)c3)cc2)cc1C,,,,,,20.72425,1.033163,,,,,,,
*Oc1ccc(C(=O)c2ccc(C(=O)c3ccc(*)cc3)cc2)cc1,,,,,,24.732967,1.137285,,,,,,,
*Oc1ccc(C(=O)c2ccc(OC(=O)CCCCCCCCC(*)=O)cc2)cc1,0.285,,,,,,,,,,,,,
*Oc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4cccc(C(=O)c5ccc(*)cc5)c4)cc3)cc2)cc1,,,,,,22.881917,1.143277,,,,,,,
*Oc1ccc(C(=O)c2cccc(C(=O)c3ccc(*)c(C(C)C)c3)c2)cc1C,,,,,,19.5301,1.031224,,,,,,,
*Oc1ccc(C(=O)c2cccc(C(=O)c3ccc(*)c(C(C)C)c3)c2)cc1CC,,,,,,18.30485,1.011566,,,,,,,
*Oc1ccc(C(=O)c2cccc(C(=O)c3ccc(*)c(CC)c3)c2)cc1CC,,,,,,19.622917,1.051094,,,,,,,
*Oc1ccc(C(=O)c2cccc(C(=O)c3ccc(*)cc3)c2)cc1,,,,,,25.742467,1.135808,,,,,,,
*Oc1ccc(C(=O)c2ccccc2)c(-c2cc(Oc3ccc(-c4ccc(*)cc4)cc3)ccc2C(=O)c2ccccc2)c1,,,,,,15.18005,1.033603,,,,,,0.009189667,0.009356795
*Oc1ccc(C(=O)c2ccccc2)c(-c2cc(Oc3ccc(C(C)(C)c4ccc(*)cc4)cc3)ccc2C(=O)c2ccccc2)c1,,,,,,18.118567,1.023805,,,,,,0.001139674,0.01494137
*Oc1ccc(C(=O)c2ccccc2)c(-c2cc(Oc3ccc(C(c4ccc(*)cc4)(C(F)(F)F)C(F)(F)F)cc3)ccc2C(=O)c2ccccc2)c1,,,,,,17.496583,1.134062,,,,,,0.035610761,0.023729453
*Oc1ccc(C(C)(C)c2cc(Cl)c(OC(*)=O)c(Cl)c2)cc1,0.162,,,,,20.1960227,1.195318104,,,,,1.33E-07,7.04E-08,0.015538839
*Oc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(Oc4ccc(C(=O)Nc5ccc(NC(=O)c6ccc(*)cc6)cc5)cc4)cc3)cc2)cc1,,,,,,21.023983,1.062453,,,,,,,
*Oc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(Oc4ccc(C(=O)Nc5cccc(NC(=O)c6ccc(*)cc6)c5)cc4)cc3)cc2)cc1,,,,,,21.611183,1.077773,,,,,,,
*Oc1ccc(C(C)(C)c2ccc(OC(*)(Oc3ccccc3)Oc3ccccc3)cc2)cc1,,,,,,17.295283,0.996871,,,,,,0.002660828,0.010020211
*Oc1ccc(C(C)(C)c2ccc(OC(*)=O)c(C(C)C)c2)cc1C(C)C,0.217,,,,,17.87805975,0.953820148,,,,,1.79E-07,7.51E-07,0.014454952
*Oc1ccc(C(C)(C)c2ccc(OC(*)=O)c(C)c2)cc1C,0.205,,,,,18.44579563,1.027559076,,,,,1.67E-07,7.54E-07,0.018815615
*Oc1ccc(C(C)(C)c2ccc(OC(*)=O)c(CC)c2)cc1CC,0.211,,,,,18.05835393,1.006186116,,,,,,4.59E-06,0.068749834
*Oc1ccc(C(C)(C)c2ccc(OC(*)=O)c(Cl)c2)cc1,0.225,,,,24.024163,18.3122,1.163251,,1.538534,,2.713311,1.81E-07,6.70E-05,0.01096655
*Oc1ccc(C(C)(C)c2ccc(OC(*)=O)c(Cl)c2)cc1C,0.19,,,,22.833696,18.974,1.120462,,1.519278,,2.578858,1.54E-07,2.50E-07,0.023020399
*Oc1ccc(C(C)(C)c2ccc(OC(*)=O)c(Cl)c2)cc1Cl,0.166,4.376,1.684,,25.751596,19.671083,1.191858,4.478,1.528099,0.329,2.908409,1.37E-07,4.53E-07,0.012922235
*Oc1ccc(C(C)(C)c2ccc(OC(*)=O)cc2)cc1,0.229,3.913,2.23,381.14,,20.10868926,,5.622,,0.261,,,7.12E-07,0.010187043
*Oc1ccc(C(C)(C)c2ccc(OC(*)=S)cc2)cc1,0.199,,,,,21.14496163,1.06991806,,,,,1.74E-07,2.75E-06,0.014140966
*Oc1ccc(C(C)(C)c2ccc(OC(=O)/C=C/C(*)=O)cc2)cc1,0.274,5.245,2.635,,,28.1706799,1.075528595,6.771,,0.285,,2.25E-07,,
*Oc1ccc(C(C)(C)c2ccc(OC(=O)C(*)=O)cc2)cc1,0.231,4.137,2.707,,,21.05664125,1.119549048,6.667,,0.231,,1.87E-07,,
*Oc1ccc(C(C)(C)c2ccc(OC(=O)C3CCC(C(*)=O)CC3)cc2)cc1,,,,,,20.2801,1.068034,,,,,,0.011683262,0.011321736
*Oc1ccc(C(C)(C)c2ccc(OC(=O)CCC(*)=O)cc2)cc1,0.241,,,,,21.60749286,1.104572775,,,,,1.87E-07,,
*Oc1ccc(C(C)(C)c2ccc(OC(=O)CCCCC(*)=O)cc2)cc1,0.241,4.127,2.208,,,23.8788871,1.074914508,5.621,,0.273,,1.84E-07,1.55E-06,0.012585507
*Oc1ccc(C(C)(C)c2ccc(OC(=O)CCCCCCCCC(*)=O)cc2)cc1,0.267,4.204,1.711,,,22.47503189,1.029038272,4.52,,0.321,,1.99E-07,3.59E-05,0.013700433
*Oc1ccc(C(C)(C)c2ccc(OC(=O)CN(CC(*)=O)c3ccc(/N=N/c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1,0.244,5.838,2.698,,,16.76101041,,7.014,,0.3,,,,
*Oc1ccc(C(C)(C)c2ccc(OC(=O)OCCN(CCOC(*)=O)c3ccc(OC)cc3)cc2)cc1,0.219,,,,,16.74256334,,,,,,,,
*Oc1ccc(C(C)(C)c2ccc(OC(=O)OCCN(CCOC(*)=O)c3ccc4[nH]c5ccccc5c4c3)cc2)cc1,0.23,,,,,19.1344005,,,,,,,,
*Oc1ccc(C(C)(C)c2ccc(OC(=O)OCCN(CCOC(*)=O)c3ccccc3)cc2)cc1,0.202,,,,,20.12327879,,,,,,,,
*Oc1ccc(C(C)(C)c2ccc(OC(=O)SCCCSC(*)=O)cc2)cc1,0.223,,,,,23.50921096,,,,,,,1.50E-07,0.009138672
*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(C(*)=O)cc3)c(C(C)C)c2)cc1C(C)C,,,,,,21.085917,0.978279,,,,,,0.002793084,0.01168787
*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(C(*)=O)cc3)c(C(C)CC)c2)cc1C(C)CC,,,,,,20.892383,0.970411,,,,,,0.009843613,0.01294111
*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(C(*)=O)cc3)c(C)c2)cc1C,,,,,,21.155167,1.042434,,,,,,0.015357266,0.008159968
*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(C(*)=O)cc3)c(CCCC)c2)cc1CCCC,,,,,,19.2831,1.008613,,,,,,0.028360076,0.007337933
*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(C(*)=O)cc3)c(Cl)c2)cc1Cl,,,,,,22.002183,1.150007,,,,,,,0.017258865
*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(C(*)=O)cc3)cc2)cc1,,6.649,2.607,438.33,,21.869617,1.09638,6.917,,0.327,,,0.001045697,0.008214422
*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(C(C)(C)c4ccc(C(*)=O)cc4)cc3)cc2)cc1,0.241,,,,,,,,,,,,,
*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(C(C)(CC)c4ccc(C(*)=O)cc4)cc3)cc2)cc1,,,,,,21.880733,1.050345,,,,,,0.000605486,0.012240791
*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(Cc4ccc(C(*)=O)cc4)cc3)cc2)cc1,0.267,,,,,,,,,,,,,
*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(S(=O)(=O)c4ccc(C(*)=O)cc4)cc3)cc2)cc1,0.256,,,,,,,,,,,,,
*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3cccc(C(*)=O)c3)c(C)c2)cc1C,,,,,,19.161733,1.052373,,,,,,0.000882854,0.012467276
*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3cccc(C(*)=O)c3)cc2)cc1,,4.366,2.223,442.47,,22.7665,1.100323,5.701,,0.282,,,0.007695756,0.008641743
*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3cccc(C(F)(F)C(F)(F)C(F)(F)c4cccc(C(*)=O)c4)c3)cc2)cc1,,,,,,21.754383,1.197266,,,,,,0.024757193,0.014495402
*Oc1ccc(C(C)(C)c2ccc(Oc3ccc(*)nn3)cc2)cc1,,,,,,21.653583,1.067575,,,,,,,
*Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)Nc4ccc(-c5ccc(NC(=O)c6ccc(*)cc6)cc5C(F)(F)F)c(C(F)(F)F)c4)cc3)cc2)cc1,0.268,4.958,2.435,,,28.76668798,,6.277,,0.289,,,,
*Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)Nc4ccc(NC(=O)c5ccc(*)cc5)cc4)cc3)cc2)cc1,,,,,,25.8523,1.099994,,,,,,,
*Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)Nc4cccc(NC(=O)c5ccc(*)cc5)c4)cc3)cc2)cc1,,,,,,21.7706,1.116244,,,,,,,
*Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc(*)cc4)cc3)cc2)cc1,,,,,,20.382883,1.06148,,,,,,,
*Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc(C(=O)c5ccc(*)cc5)cc4)cc3)cc2)cc1,,,,,,23.378717,1.084629,,,,,,,
*Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccccc4-c4ccccc4C(=O)c4ccc(*)cc4)cc3)cc2)cc1,0.22,4.704,2.267,,,21.8061799,1.081704658,5.86,,0.292,,1.92E-07,,
*Oc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(Oc4ccc(C(=O)Nc5ccc(NC(=O)c6ccc(*)cc6)cc5)cc4)cc3)c2)cc1,,,,,,26.668017,1.073372,,,,,,,
*Oc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(Oc4ccc(C(=O)Nc5cccc(NC(=O)c6ccc(*)cc6)c5)cc4)cc3)c2)cc1,,,,,,20.655817,1.072385,,,,,,,
*Oc1ccc(C(C)(CC(C)C)c2ccc(OC(*)=O)cc2)cc1,0.245,,,,,16.65952143,1.019209928,,,,,1.98E-07,,
*Oc1ccc(C(C)(CC(C)C)c2ccc(OC(*)=S)cc2)cc1,0.202,,,,,16.41567569,1.00955565,,,,,1.73E-07,2.78E-06,0.025863355
*Oc1ccc(C(C)(CC)c2ccc(OC(*)=O)c(C)c2)cc1C,0.19,,,,,18.83844053,0.978376218,,,,,1.59E-07,1.38E-07,0.015273376
*Oc1ccc(C(C)(CC)c2ccc(OC(*)=O)c(Cl)c2)cc1Cl,0.177,,,,,21.6565531,1.138604023,,,,,1.48E-07,2.05E-05,0.015610999
*Oc1ccc(C(C)(CC)c2ccc(OC(*)=O)cc2)cc1,0.231,,,,,19.86862342,1.041623348,,,,,1.90E-07,1.18E-05,0.011408131
*Oc1ccc(C(C)(CC)c2ccc(OC(*)=S)cc2)cc1,0.183,,,,,19.99458333,1.043937945,,,,,1.58E-07,1.64E-06,0.021753084
*Oc1ccc(C(C)(CC)c2ccc(OC(=O)/C=C/C(*)=O)cc2)cc1,0.209,,,,,22.47252038,1.029771257,,,,,1.75E-07,,
*Oc1ccc(C(C)(CC)c2ccc(OC(=O)OC3C(C)(C)C(OC(*)=O)C3(C)C)cc2)cc1,0.265,,,,,19.32382907,,,,,,,3.25E-06,0.012891309
*Oc1ccc(C(C)(CCC#N)c2ccc(OC(*)=O)c(C)c2)cc1C,0.23,,,,,21.387467,1.000002,,,,,1.94E-07,1.82E-07,0.016098204
*Oc1ccc(C(C)(CCC#N)c2ccc(OC(*)=O)cc2)cc1,0.219,,,,,19.13538555,1.084021974,,,,,1.78E-07,1.47E-07,0.014129741
*Oc1ccc(C(C)(CCC(=O)O)c2ccc(OC(=O)c3cccc(C(*)=O)c3)cc2)cc1,0.221,,,,,,,,,,,,,
*Oc1ccc(C(C)(CCC(=O)OCC)c2ccc(OC(=O)c3cccc(C(*)=O)c3)cc2)cc1,0.193,,,,,,,,,,,,,
*Oc1ccc(C(C)(CCC)c2ccc(OC(*)=O)cc2)cc1,0.253,,,,,17.10437525,1.02809106,,,,,2.05E-07,1.63E-07,0.012321925
*Oc1ccc(C(C)(CCCC)c2ccc(OC(*)=O)cc2)cc1,0.265,,,,,17.82021667,0.999224113,,,,,2.16E-07,,
*Oc1ccc(C(C)(CCCCCCC)c2ccc(OC(*)=O)cc2)cc1,0.247,,,,,18.71042984,0.985271712,,,,,1.93E-07,,
*Oc1ccc(C(C)(c2ccc(*)cc2)C(F)(F)F)cc1,0.186,,,,22.805637,17.453,1.127541,,1.468225,,2.575689,1.55E-07,,
*Oc1ccc(C(C)(c2ccccc2)c2ccc(OC(*)=O)cc2)cc1,0.206,,,400.88,23.812742,19.387083,1.083887,,1.549526,,2.689433,1.75E-07,2.75E-07,0.008755096
*Oc1ccc(C(C)(c2ccccc2)c2ccc(OC(=O)OC3C(C)(C)C(OC(*)=O)C3(C)C)cc2)cc1,0.179,,,,,17.23862458,,,,,,,3.64E-06,0.010141664
*Oc1ccc(C(C)c2ccc(OC(*)=O)c(C)c2)cc1C,0.298,,,,22.886577,22.281217,1.026373,,1.503878,,2.584831,2.47E-07,,
*Oc1ccc(C(C)c2ccc(OC(*)=O)cc2)cc1,0.313,,,,,21.64837846,1.123803652,,,,,2.51E-07,7.89E-06,0.012604745
*Oc1ccc(C(C)c2ccc(OC(*)=S)cc2)cc1,0.247,,,,,18.84435753,1.114694876,,,,,2.12E-07,5.89E-06,0.017222464
*Oc1ccc(C(CC)(CC)c2ccc(OC(*)=S)cc2)cc1,0.204,,,,,21.77369136,0.988917499,,,,,1.81E-07,1.96E-07,0.011832113
*Oc1ccc(C(CC)(c2ccccc2)c2ccc(OC(=O)CCCCCCCCC(*)=O)cc2)cc1,0.255,,,,,,,,,,,,,
*Oc1ccc(C(CC)(c2ccccc2)c2ccc(OC(=O)c3ccc(C(*)=O)cc3)cc2)cc1,0.225,,,,,,,,,,,,,
*Oc1ccc(C(CC)c2ccc(OC(*)=O)cc2)cc1,0.251,,,,,21.10374679,1.080466562,,,,,2.02E-07,1.21E-07,0.011408813
*Oc1ccc(C(CC)c2ccc(OC(*)=S)cc2)cc1,0.29,,,,,26.54448649,1.06326273,,,,,2.51E-07,1.29E-06,0.010377455
*Oc1ccc(C(CCC)(CCC)c2ccc(OC(*)=O)c(C)c2)cc1C,0.165,,,,,21.36729601,0.894372236,,,,,,2.56E-05,0.04139764
*Oc1ccc(C(CCC)(CCC)c2ccc(OC(*)=O)cc2)cc1,0.219,,,473.85,,16.25687602,,,,,,,3.42E-07,0.013879097
*Oc1ccc(C(CCC)c2ccc(OC(*)=O)cc2)cc1,0.261,,,,23.375957,21.24945,1.056891,,1.515189,,2.640102,2.09E-07,1.23E-06,0.010032268
*Oc1ccc(C(CCC)c2ccc(OC(*)=S)cc2)cc1,0.225,,,,,19.21253771,1.055492751,,,,,1.90E-07,1.29E-07,0.01009244
*Oc1ccc(C(CCCC)(CCCC)c2ccc(OC(*)=O)cc2)cc1,0.241,,,,,18.79585105,0.936249939,,,,,1.98E-07,1.30E-05,0.015560035
*Oc1ccc(C(CCCCC)(CCCCC)c2ccc(OC(*)=O)cc2)cc1,0.282,,,,,15.1252985,0.949324091,,,,,2.22E-07,,
*Oc1ccc(C(c2ccc(OC(*)=O)cc2)C(C)C)cc1,0.247,,,,,20.17616495,1.052491877,,,,,2.01E-07,2.08E-07,0.009678755
*Oc1ccc(C(c2ccc(OC(*)=O)cc2)C2C3CCC(C3)C2c2ccccc2)cc1,0.21,,,,,17.31788339,,,,,,,2.73E-06,0.009635027
*Oc1ccc(C(c2ccc(OC(*)=S)cc2)C(C)C)cc1,0.224,,,,,20.60271667,1.041394475,,,,,1.95E-07,5.42E-06,0.023530132
*Oc1ccc(C(c2ccc(OC(*)=S)cc2)C(CC)CC)cc1,0.22,,,,,21.55363195,0.996028591,,,,,1.89E-07,5.44E-05,0.016557976
*Oc1ccc(C(c2ccc(OC(=O)c3cccc(C(*)=O)c3)cc2)c2ccccc2C(=O)O)cc1,0.187,,,,,,,,,,,,,
*Oc1ccc(C(c2ccc(Oc3ccc(C(=O)Nc4ccc(-c5ccc(NC(=O)c6ccc(*)cc6)cc5C(F)(F)F)c(C(F)(F)F)c4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1,,,,,,23.3862,1.275337,,,,,,,
*Oc1ccc(C(c2ccc(Oc3ccc(C(=O)Nc4ccc(NC(=O)c5ccc(*)cc5)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1,,,,,,24.991533,1.234282,,,,,,,
*Oc1ccc(C(c2ccc(Oc3ccc(C(=O)c4ccc(*)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1,,,,,,22.325167,1.20604,,,,,,,
*Oc1ccc(C(c2ccc(Oc3ccc(C(=O)c4ccccc4-c4ccccc4C(=O)c4ccc(*)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1,0.185,3.788,2.374,,,19.0445397,1.191735419,5.891,,0.241,,1.54E-07,,
*Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(OC(=O)CCCCCCCCC(*)=O)cc2)cc1,0.194,,,,,,,,,,,,,
*Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(OC(=O)OC3C(C)(C)C(OC(*)=O)C3(C)C)cc2)cc1,0.165,,,,,14.54527403,,,,,,,3.76E-07,0.013705261
*Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(OC(=O)c3ccc(C(*)=O)cc3)cc2)cc1,0.202,,,,,,,,,,,,,
*Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(Oc3ccc(C(=O)Nc4ccc(NC(=O)c5ccc(*)cc5)cc4)cc3)cc2)cc1,,,,,,22.126317,1.085838,,,,,,,
*Oc1ccc(C2(C)CCC(C(C)(C)c3ccc(Oc4ccc(C(=O)c5ccc(*)cc5)cc4)cc3)CC2)cc1,,,,,,20.974917,1.01124,,,,,,,
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*Oc1ccc(C2(c3ccc(OC(*)=O)c(Cl)c3)CCCCC2)cc1Cl,0.165,,,,,16.17629823,,,,,,,1.91E-07,0.015617216
*Oc1ccc(C2(c3ccc(OC(*)=O)cc3)CC(C)CC(C)(C)C2)cc1,0.227,,,,20.178587,13.244217,0.862959,,1.417483,,2.278988,2.12E-07,1.00E-05,0.011457889
*Oc1ccc(C2(c3ccc(OC(*)=O)cc3)CC3CC2C2CCCC32)cc1,0.199,,,,,15.43819208,,,,,,,2.89E-06,0.009812987
*Oc1ccc(C2(c3ccc(OC(*)=O)cc3)CC3CCC2C3)cc1,,,,546.41,,20.59461102,,,,,,,,
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*Oc1ccc(C2(c3ccc(OC(=O)CCC(*)=O)cc3)c3ccccc3C(=O)c3ccccc32)cc1,0.188,,,,,,,,,,,,,
*Oc1ccc(C2(c3ccc(OC(=O)CCCC(*)=O)cc3)c3ccccc3-c3ccccc32)cc1,0.198,,,,28.565125,16.727817,1.12309,,1.589811,,3.226171,,,
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*Oc1ccc(C2(c3ccc(OC(=O)CCCCCCC(*)=O)cc3)c3ccccc3-c3ccccc32)cc1,0.219,,,,,,,,,,,,,
*Oc1ccc(C2(c3ccc(OC(=O)CCCCCCCC(*)=O)cc3)c3ccccc3-c3ccccc32)cc1,0.217,,,,,,,,,,,,,
*Oc1ccc(C2(c3ccc(OC(=O)CCCCCCCCC(*)=O)cc3)CCCCC2)cc1,0.223,,,,,,,,,,,,,
*Oc1ccc(C2(c3ccc(OC(=O)CCCCCCCCC(*)=O)cc3)CCc3ccccc32)cc1,0.243,,,,,,,,,,,,,
*Oc1ccc(C2(c3ccc(OC(=O)CCCCCCCCC(*)=O)cc3)c3ccccc3-c3ccccc32)cc1,,,,,,16.567083,1.071537,,,,,,0.042629313,0.010741055
*Oc1ccc(C2(c3ccc(OC(=O)CCCCCCCCC(*)=O)cc3)c3ccccc3C(=O)c3ccccc32)cc1,0.197,,,,,,,,,,,,,
*Oc1ccc(C2(c3ccc(OC(=O)CCCCCCCCC(*)=O)cc3)c3ccccc3Cc3ccccc32)cc1,0.235,,,,,,,,,,,,,
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*Oc1ccc(C2(c3ccc(OC(=O)CCCCCCCCCCC(*)=O)cc3)c3ccccc3-c3ccccc32)cc1,0.254,,,,,,,,,,,,,
*Oc1ccc(C2(c3ccc(OC(=O)OC4C(C)(C)C(OC(*)=O)C4(C)C)cc3)CC3CCC2C3)cc1,0.196,3.942,2.173,,,17.96768776,,5.507,,0.267,,,6.84E-07,0.01258887
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*Oc1ccc(C2(c3ccc(OC(=O)c4ccc(C(*)=O)cc4)cc3)CCCCC2)cc1,0.233,,,,,,,,,,,,,
*Oc1ccc(C2(c3ccc(OC(=O)c4ccc(C(*)=O)cc4)cc3)CCc3ccccc32)cc1,,,,,,24.51815,1.070737,,,,,,0.012384626,0.006717789
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*Oc1ccc(C2(c3ccc(OC(=O)c4cccc(C(*)=O)c4)cc3)CCCCC2)cc1,,,,,,16.509383,1.092468,,,,,,0.083028753,0.037937841
*Oc1ccc(C2(c3ccc(OC(=O)c4cccc(C(*)=O)c4)cc3)c3ccccc3-c3ccccc32)cc1,,,,,,21.4026,1.085653,,,,,,0.002786779,0.015217792
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*Oc1ccc(CC(*)=O)cc1,,,,,,19.83425,1.177081,,,,,,0.001283789,0.005313449
*Oc1ccc(CC(C#N)(C#N)Cc2ccc(*)cc2)cc1,,,,,,24.007367,1.028301,,,,,,0.001484776,0.008802874
*Oc1ccc(CC(Cc2ccc(*)cc2)(C(=O)OCC)C(=O)OCC)cc1,,,,,,18.541767,1.028955,,,,,,0.032877751,0.016788329
*Oc1ccc(CNC(=O)CCCCC(=O)NCc2ccc(OC3COC4C(*)COC34)cc2)cc1,0.3,,,,,20.94083117,1.157005475,,,,,2.14E-07,,
*Oc1ccc(Cc2ccc(*)cc2)cc1,0.251,4.403,2.452,,,22.91252436,1.098609356,6.204,,0.265,,2.08E-07,,
*Oc1ccc(Cc2ccc(OC(*)=O)c(C)c2)cc1C,0.218,,,,,19.62908738,1.076401726,,,,,1.75E-07,3.83E-07,0.007156904
*Oc1ccc(Cc2ccc(OC(*)=O)cc2)cc1,0.269,,,,,24.98784264,1.164469587,,,,,2.13E-07,2.94E-06,0.010016454
*Oc1ccc(Cc2ccc(OC(*)=S)cc2)cc1,0.28,,,,,22.33077159,1.150153092,,,,,2.39E-07,2.54E-07,0.014295264
*Oc1ccc(Cc2ccc(OC(=O)CCCCC(*)=O)cc2)cc1,0.239,4.286,2.344,,37.612481,22.952083,1.133683,5.948,1.548008,0.269,4.247988,1.77E-07,3.09E-07,0.007851806
*Oc1ccc(Cc2ccc(OC(=O)c3cc(OCCCCC)cc(C(*)=O)c3)cc2)cc1,,,,,,22.4894,1.08218,,,,,,0.096620961,0.008724558
*Oc1ccc(Cc2ccc(OC(=O)c3cccc(C(*)=O)c3)cc2)cc1,,,,,,24.157067,1.162588,,,,,,0.006941572,0.011332071
*Oc1ccc(NC(=O)/C=C/c2ccc(/C=C/C(=O)Nc3ccc(*)cc3)cc2)cc1,,,,,,30.238467,1.125444,,,,,,,
*Oc1ccc(NC(=O)CCCCC(=O)Nc2ccc(*)cc2)cc1,,,,,,26.62735,1.136763,,,,,,,
*Oc1ccc(NC(=O)CCCCCC(=O)Nc2ccc(*)cc2)cc1,,,,,,23.4134,1.101341,,,,,,,
*Oc1ccc(NC(=O)CCCCCCC(=O)Nc2ccc(*)cc2)cc1,,,,,,24.4667,1.093428,,,,,,,
*Oc1ccc(NC(=O)CCCCCCCC(=O)Nc2ccc(*)cc2)cc1,,,,,,25.722317,1.082313,,,,,,,
*Oc1ccc(NC(=O)CCCCCCCCC(=O)Nc2ccc(*)cc2)cc1,,,,,,24.437367,1.061419,,,,,,,
*Oc1ccc(NC(=O)CCCCCCCCCC(=O)Nc2ccc(*)cc2)cc1,0.419,5.347,2.049,,,25.09734236,,5.451,,0.33,,,,
*Oc1ccc(NC(=O)CCCCCCCCCCC(=O)Nc2ccc(*)cc2)cc1,,,,,,26.090133,1.038234,,,,,,,
*Oc1ccc(NC(=O)NCCCCCCNC(*)=O)c(C)c1,0.326,,,,,25.99507071,1.101720701,,,,,2.39E-07,,
*Oc1ccc(NC(=O)NCCCCCCNC(*)=O)cc1C,0.342,,,,,21.255916,1.108348782,,,,,2.49E-07,,
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*Oc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(*)cc3)cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2)cc1,,,,,,15.008683,0.802998,,,,,,,
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*Oc1ccc(NC(=O)c2ccc(*)cc2)cc1,,,,,29.458986,23.8039,1.131747,,1.597891,,3.327125,,,
*Oc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(*)cc3)cc2)cc1,,,,,,30.758517,1.165492,,,,,,,
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*Oc1ccc(NC(=O)c2ccc(Oc3ccc(C(=O)Nc4ccc(*)cc4)cc3)cc2)cc1,,,,,,26.65855,1.16475,,,,,,,
*Oc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(C(=O)Nc4ccc(Oc5ccc(C(c6ccc(*)cc6)(C(F)(F)F)C(F)(F)F)cc5)cc4)cc3)cc2)cc1,,,,,,21.7421,1.268065,,,,,,,
*Oc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(*)cc3)c2)cc1,,,,,,28.035833,1.165099,,,,,,,
*Oc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(Oc4ccc(C(c5ccc(*)cc5)(C(F)(F)F)C(F)(F)F)cc4)cc3)c2)cc1,,,,,,24.4804,1.19342,,,,,,,
*Oc1ccc(OC(=O)/C=C/c2ccc(/C=C/C(*)=O)cc2)cc1,,,,,,29.429467,1.169972,,,,,,0.00538838,0.00542844
*Oc1ccc(OC(=O)CCCCC(*)=O)cc1,,,,,,20.644867,1.154418,,,,,,0.00887818,0.005233361
*Oc1ccc(OC(=O)CCCCCCCCC(*)=O)cc1,0.257,4.457,1.495,317.24,,23.48222813,,4.034,,0.349,,,1.07E-06,0.007016287
*Oc1ccc(OC(=O)Oc2ccc(C(*)=O)cc2)cc1,,,,,27.039743,27.447917,1.242069,,1.587972,,3.053893,,,
*Oc1ccc(OC(=O)c2ccc(C(*)=O)cc2)cc1,,,,,,34.813133,1.195418,,,,,,0.005683875,0.003316615
*Oc1ccc(OC(=O)c2ccc(C(*)=O)cc2)cc1C1CC2CCC1C2,,,,,,25.690717,1.100996,,,,,,0.014122278,0.004781378
*Oc1ccc(OC(=O)c2ccc(C(*)=O)cc2)cc1C1CCCCC1,,,,,,25.0945,1.073286,,,,,,0.038176471,0.01352852
*Oc1ccc(OC(=O)c2ccc(C(*)=O)cc2)cc1CCC(C)CC,,,,,,25.271783,1.047319,,,,,,,0.004748933
*Oc1ccc(OC(=O)c2ccc(C(*)=O)cc2Sc2ccc(C)cc2)cc1,0.364,,,,,32.01399236,1.176905042,,,,,3.03E-07,5.25E-07,0.010854297
*Oc1ccc(OC(=O)c2ccc(C(*)=O)cc2Sc2ccccc2)cc1C,0.335,,,,,26.97809535,1.19566255,,,,,2.74E-07,7.04E-08,0.017187391
*Oc1ccc(OC(=O)c2ccc(C(C)(C)c3ccc(C(*)=O)cc3)cc2)cc1,,,,,,25.918983,1.100909,,,,,,0.008814523,0.017072774
*Oc1ccc(OC(=O)c2ccc(OCCCCCCCCOc3ccc(C(*)=O)cc3)cc2)cc1C(=O)CC,,,,,,25.817867,1.102014,,,,,,,
*Oc1ccc(OC(=O)c2ccc(Sc3cccc(OC(=O)c4ccc(C(=O)Oc5cccc(Sc6ccc(C(*)=O)cc6)c5)cc4)c3)cc2)cc1C,,,,,,24.810567,1.212043,,,,,,,
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*Oc1ccc(OC(=O)c2cccc(Sc3ccc(OC(=O)c4ccc(C(=O)Oc5ccc(Sc6cccc(C(*)=O)c6)cc5)cc4)cc3)c2)cc1C,,,,,,19.403433,1.199313,,,,,,,
*Oc1ccc(Oc2ccc(C(=O)Nc3ccc(Cc4ccc(NC(=O)c5ccc(*)cc5)cc4)cc3)cc2)cc1,,,,,,25.622017,1.136132,,,,,,,
*Oc1ccc(Oc2ccc(C(=O)Nc3ccc(Cc4ccc(NC(=O)c5ccc(*)cc5)cc4)cc3)cc2)cc1-c1ccccc1,,,,,,24.6135,1.119082,,,,,,,
*Oc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(-c5ccc(Oc6ccc(NC(=O)c7ccc(*)cc7)cc6)cc5)cc4)cc3)cc2)cc1C,,,,,,31.056667,1.103981,,,,,,,
*Oc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)c5ccc(*)cc5)cc4)cc3)cc2)cc1-c1ccccc1,,,,,,28.377617,1.123838,,,,,,,
*Oc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(S(=O)(=O)c5ccc(Oc6ccc(NC(=O)c7ccc(*)cc7)cc6)cc5)cc4)cc3)cc2)cc1,,,,,,24.890483,1.204628,,,,,,,
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*Oc1ccc(Oc2ccc(C(=O)c3ccc(*)cc3)cc2)cc1,,4.377,1.234,,,,,3.384,,0.371,,,,
*Oc1ccc(Oc2ccc(C(=O)c3ccc(*)cc3)cc2)cc1C,,,,,,25.434733,1.079962,,,,,,,
*Oc1ccc(Oc2ccc(C(=O)c3ccc(*)cc3)cc2)cc1C(C)(C)C,,,,,,20.675783,1.023695,,,,,,,
*Oc1ccc(Oc2ccc(C(=O)c3cccc(-c4cccc(C(=O)c5ccc(*)cc5)c4)c3)cc2)cc1,,,,,,27.528333,1.117499,,,,,,,
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*Oc1ccc(Oc2ccc(C(=O)c3ccccc3)c(-c3cc(*)ccc3C(=O)c3ccccc3)c2)cc1,,,,,,16.82975,1.056402,,,,,,0.011261654,0.01119822
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*Oc1ccc(Oc2ccc(OC(*)=O)cc2)cc1,,,,,24.328944,28.516983,1.198585,,1.545665,,2.747733,,,
*Oc1ccc(Oc2ccc(OC(=O)c3cc(OCCCCC)cc(C(*)=O)c3)cc2)cc1,,,,,,21.55245,1.096174,,,,,,,
*Oc1ccc(Oc2ccc(OC(=O)c3cccc(C(*)=O)c3)cc2)cc1,,,,,,26.529567,1.181756,,,,,,,
*Oc1ccc(Oc2ccc(Oc3ccc(C(=O)c4ccc(*)cc4)cc3)cc2)cc1,,,,,,26.0786,1.120772,,,,,,,
*Oc1ccc(Oc2ccc(Oc3ccc(S(=O)(=O)c4ccc(*)cc4)cc3)cc2)cc1,,4.234,2.266,,,26.87145,1.207403,5.769,,0.273,,,,
*Oc1ccc(Oc2ccc(S(=O)(=O)c3ccc(*)cc3)cc2)cc1,,,,,,27.1933,1.230817,,,,,,,
*Oc1ccc(Oc2ccc(S(=O)(=O)c3ccc(-c4ccc(-c5ccc(S(=O)(=O)c6ccc(*)cc6)cc5)cc4)cc3)cc2)cc1,,,,,,27.480833,1.259381,,,,,,,
*Oc1ccc(Oc2cccc(*)n2)c(C)c1,,,,,23.870006,15.450717,1.10984,,1.561978,,2.6959,,,
*Oc1ccc(S(=O)(=O)N(C)CCCCN(C)S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)cc4)cc3)cc2)cc1,,,,,,20.05795,1.167096,,,,,,,
*Oc1ccc(S(=O)(=O)c2ccc(*)cc2)cc1,0.268,,,,,,,,,,,,,
*Oc1ccc(S(=O)(=O)c2ccc(-c3ccc(-c4ccc(S(=O)(=O)c5ccc(*)cc5)cc4)cc3)cc2)cc1,,,,,,24.2392,1.269976,,,,,,,
*Oc1ccc(S(=O)(=O)c2ccc(-c3ccc(-c4ccc(S(=O)(=O)c5ccc(Oc6ccc(-c7ccc(*)cc7)cc6)cc5)cc4)cc3)cc2)cc1,,,,,,27.99985,1.233897,,,,,,,
*Oc1ccc(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)c4ccc(*)cc4)cc3)cc2)cc1,,,,,,20.010917,1.302743,,,,,,,
*Oc1ccc(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)c4ccc(Oc5ccc(-c6ccc(-c7ccc(*)cc7)cc6)cc5)cc4)cc3)cc2)cc1,,,,,,25.5345,1.2455,,,,,,,
*Oc1ccc(S(=O)(=O)c2ccc(OC(*)=O)cc2)cc1,,,,,30.377084,17.7544,1.349469,,1.58075,,3.430815,,,
*Oc1ccc(S(=O)(=O)c2ccc(OC(=O)c3cc(CCCCC)cc(C(*)=O)c3)cc2)cc1,0.242,,,,,,,,,,,,,
*Oc1ccc(S(=O)(=O)c2ccc(OC(=O)c3cccc(C(*)=O)c3)cc2)cc1,0.23,,,,,,,,,,,,,
*Oc1ccc(S(=O)(=O)c2ccc(Oc3c(C)cc(C(C)(C)c4cc(C)c(*)c(C)c4)cc3C)cc2)cc1,,3.348,2.519,,,13.70570836,,6.042,,0.199,,,,
*Oc1ccc(S(=O)(=O)c2ccc(Oc3c(C)cc(C(c4cc(C)c(*)c(C)c4)(C(F)(F)F)C(F)(F)F)cc3C)cc2)cc1,,,,,,22.13078394,,,,,,,,
*Oc1ccc(S(=O)(=O)c2ccc(Oc3c(C)cc(Cc4cc(C)c(*)c(C)c4)cc3C)cc2)cc1,,,,,,20.42938322,,,,,,,,
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(*)cc4)cc3)cc2)cc1,,6.996,2.445,,,29.643783,1.221331,6.57,,0.343,,,,
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(-c5ccc(*)cc5)cc4)cc3)cc2)cc1,,,,,,26.813617,1.192656,,,,,,,
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(=O)c4ccc(*)cc4)cc3)cc2)cc1,,,,,,22.016367,1.223396,,,,,,,
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(=O)c4ccc(-c5ccc(C(=O)c6ccc(*)cc6)cc5)cc4)cc3)cc2)cc1,,,,,,29.41685,1.190844,,,,,,,
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(=O)c4cccc(C(=O)c5ccc(*)cc5)c4)cc3)cc2)cc1,,,,,,21.9539,1.205803,,,,,,,
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)c(C)c4)cc3C)cc2)cc1,,,,,,20.44800803,,,,,,,,
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)c(Cl)c4)cc3Cl)cc2)cc1,,,,,,19.471583,1.203225,,,,,,,
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)cc4)cc3)cc2)cc1,0.204,5.061,2.369,,,22.20715615,,6.148,,0.298,,,,
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(c4ccccc4)c4ccc(*)cc4)cc3)cc2)cc1,,5.173,2.56,,,17.72095,1.140756,6.593,,0.288,,,,
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccc(*)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1,,,,,,21.402917,1.299755,,,,,,,
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccc(*)cc4)C(C)C)cc3)cc2)cc1,,,,,,19.420483,1.123499,,,,,,,
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccccc4)(c4ccccc4)c4ccc(*)cc4)cc3)cc2)cc1,,,,,,17.235283,1.093592,,,,,,,
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C4(c5ccc(*)c(C)c5)CCCCC4)cc3C)cc2)cc1,,,,,,18.32820515,,,,,,,,
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C4(c5ccc(*)cc5)CC5CCC4C5)cc3)cc2)cc1,,,,,,21.985183,1.132071,,,,,,,
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C4(c5ccc(*)cc5)CCCCC4)cc3)cc2)cc1,,,,,,17.423633,1.139381,,,,,,,
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C4(c5ccc(*)cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1,,3.968,1.52,,,20.917517,1.145725,4.044,,0.33,,,,
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C4CCCC(C(C)c5ccc(*)cc5)C4)cc3)cc2)cc1,,,,,,21.3975,1.100074,,,,,,,
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(Cc4ccc(*)cc4)cc3)cc2)cc1,,5.059,2.292,,,22.026133,1.191108,5.974,,0.303,,,,
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(-c5ccc(-c6ccc(S(=O)(=O)c7ccc(*)cc7)cc6)cc5)cc4)cc3)cc2)cc1,,,,,,23.2976,1.287483,,,,,,,
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(Sc4ccc(*)cc4)cc3)cc2)cc1,,,,,,19.3994,1.236524,,,,,,,
*Oc1ccc(S(=O)(=O)c2ccc3ccc(S(=O)(=O)c4ccc(*)cc4)cc3c2)cc1,,,,,,20.19815,1.326487,,,,,,,
*Oc1ccc(Sc2ccc(OC(*)=O)cc2)cc1,,,,,28.736775,19.0398,1.248558,,1.62643,,3.245557,,,
*Oc1ccc2c(c1)C1(CC2(C)C)CC(C)(C)c2ccc(OC(*)=O)cc21,,2.293,2.009,508.32,,12.92707658,,4.665,,0.161,,,,
*Oc1ccc2c(c1)C1(CC2(C)C)CC(C)(C)c2ccc(OC(=O)c3ccc(C(*)=O)cc3)cc21,,,,,,16.97613627,,,,,,,,
*Oc1ccc2c(c1)C1(CC2(C)C)CC(C)(C)c2ccc(OC(=O)c3cccc(C(*)=O)c3)cc21,,,,574.34,,15.18496739,,,,,,,,
*Oc1ccc2cc(C(*)=O)ccc2c1,,,,,25.572853,27.780517,1.181395,,1.65566,,2.888221,,,
*Oc1cccc(*)c1,0.203,5.442,0.745,,,20.84744612,1.172888838,2.137,,0.435,,1.67E-07,3.83E-07,0.010713916
*Oc1cccc(*)c1C#N,0.2,,,,,23.86158178,1.141483532,,,,,1.80E-07,,
*Oc1cccc(C(*)=O)c1,,,,,,20.030067,1.215361,,,,,,0.00095938,0.008048027
*Oc1cccc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)COC(=O)c2cccc(*)c2)c1,,,,,,18.685633,1.326199,,,,,,,
*Oc1cccc(C(F)(F)C(F)(F)C(F)(F)c2cccc(OC(=O)c3cccc(C(F)(F)C(F)(F)C(F)(F)c4cccc(C(*)=O)c4)c3)c2)c1,,,,,,19.3924,1.32826,,,,,,0.001310487,0.022901465
*Oc1cccc(NC(=O)CCCCC(=O)Nc2ccc(*)cc2)c1,,,,,,21.241367,1.121333,,,,,,,
*Oc1cccc(NC(=O)CCCCCC(=O)Nc2ccc(*)cc2)c1,,,,,,19.830217,1.105855,,,,,,,
*Oc1cccc(NC(=O)CCCCCCC(=O)Nc2ccc(*)cc2)c1,,,,,,18.38935,1.098722,,,,,,,
*Oc1cccc(NC(=O)CCCCCCCC(=O)Nc2ccc(*)cc2)c1,,,,,,19.934817,1.077073,,,,,,,
*Oc1cccc(NC(=O)CCCCCCCCC(=O)Nc2ccc(*)cc2)c1,,,,,,22.03095,1.058603,,,,,,,
*Oc1cccc(NC(=O)CCCCCCCCCC(=O)Nc2ccc(*)cc2)c1,,,,,,20.871567,1.043108,,,,,,,
*Oc1cccc(NC(=O)CCCCCCCCCCC(=O)Nc2ccc(*)cc2)c1,0.298,5.333,1.628,,,22.42189302,,4.433,,0.361,,,,
*Oc1cccc(NC(=O)c2cc(C(=O)Nc3ccc(*)cc3)cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2)c1,,,,,,21.404067,1.341106,,,,,,,
*Oc1cccc(NC(=O)c2ccc(C(=O)c3cccc(C(=O)Nc4ccc(*)cc4)c3)cc2)c1,,,,,,24.97745,1.166173,,,,,,,
*Oc1cccc(NC(=O)c2cccc(C(=O)Nc3ccc(*)cc3)c2)c1,,,,,,24.398233,1.170105,,,,,,,
*Oc1cccc(OC(=O)CCC(*)=O)c1,,,,,,17.040317,1.213562,,,,,,0.000782269,0.009682998
*Oc1cccc(OC(=O)c2cc(OCCCCC)cc(C(*)=O)c2)c1,,,,,,18.274667,1.102734,,,,,,0.086313412,0.01225929
*Oc1cccc(OC(=O)c2ccc(C(C)(C)c3ccc(C(*)=O)cc3)cc2)c1,0.223,5.077,1.776,441.8,,21.991583,,4.772,,0.343,,,1.12E-07,0.010292699
*Oc1cccc(OC(=O)c2cccc(C(*)=O)c2)c1,,,,,,22.707383,1.20393,,,,,,0.024813398,0.009034377
*Oc1cccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)c5ccc(*)cc5)cc4)cc3)cc2)c1C#N,0.296,,,,,30.77227464,,,,,,,,
*Oc1cccc(Oc2ccc(NC(=O)c3ccc(Oc4cccc(Oc5ccc(C(=O)Nc6ccc(*)cc6)cc5)c4)cc3)cc2)c1,,,,,,23.569533,1.158439,,,,,,,
*Oc1cccc(Oc2cccc(NC(=O)c3cccc(Oc4cccc(Oc5cccc(C(=O)Nc6cccc(*)c6)c5)c4)c3)c2)c1,,,,,,19.12195,1.165212,,,,,,,
*Oc1cccc(Oc2cccc(OC(*)=O)c2)c1,,,,,,17.087933,1.19063,,,,,,,
*Oc1cccc(S(=O)(=O)c2ccc(*)cc2)c1,,,,,,18.813967,1.290651,,,,,,,
*Oc1ccccc1CNC(=O)NCCCCCCNC(*)=O,0.263,,,,,20.11661484,1.114771362,,,,,1.90E-07,,
*SC(*)(F)F,0.114,4.48,2.106,238.03,,24.17920498,,5.462,,0.297,,,6.33E-09,0.107157089
*SC(C)C(*)=O,,,,,,21.534033,1.202905,,,,,,0.008548562,0.018307684
*SC1=CC=C(*)C=C1,0.209,,,,,,,,,,,,,
*Sc1c(C)cc(*)cc1C,0.145,1.508,1.621,543.87,,18.9131789,,3.58,,0.104,,,3.67E-06,0.008241478
*Sc1ccc(*)cc1,,7.173,4.21,378.21,,20.07846844,,10.563,,0.255,,,,
*Sc1ccc(Cc2ccc(SC(*)=O)cc2)cc1,,,,,28.494673,21.407967,1.185746,,1.630766,,3.218214,,,
*Sc1ccc(Nc2ccc(*)cc2)cc1,,,,,31.242464,19.316233,1.177009,,1.688528,,3.528552,,,
*\C=C\C1CC(*)C2C1C(=O)N(C1CCCC1)C2=O,,5.105,2.024,,,,,5.363,,0.325,,,,
*\N=C\c1ccc(C=Nc2c(cc(cc2-c2ccccc2)-c2ccc(cc2)-c2cc(-c3ccccc3)c(*)c(c2)-c2ccccc2)-c2ccccc2)cc1,0.219,,,,,24.24248472,,,,,,,,
*c1[nH]c(*)c(CC(=O)OCCCCCCCCCCCC)c1CC(=O)OCCCCCCCCCCCC,0.316,,,,,11.77651013,,,,,,,,
*c1[nH]c(*)c2c1-c1ccc(C)c3c(C)ccc-2c13,0.229,,,,,,,,,,,,,
*c1[nH]c(*)c2c1-c1ccc(CCCCCC)c3c(CCCCCC)ccc-2c13,0.223,,,,,,,,,,,,,
*c1[nH]c(*)c2c1-c1ccc(Cl)c3c(Cl)ccc-2c13,0.134,,,,,,,,,,,,,
*c1[nH]c(*)c2c1-c1cccc3cccc-2c13,0.409,,,,,,,,,,,,,
*c1c(*)c2ccccc2c2ccccc12,0.091,2.091,1.274,,21.964698,11.6023,0.929967,3.177,1.564129,0.247,2.480713,9.90E-08,,
*c1c(-c2ccccc2)c(-c2ccccc2)c(*)c2cc(-c3ccc(C#Cc4ccccc4)c(C#Cc4ccccc4)c3)ccc12,0.224,,,,,12.82248516,,,,,,,,
*c1c(-c2ccccc2)c(-c2ccccc2)c(*)c2cc(C(c3ccc(C#Cc4ccccc4)c(C#Cc4ccccc4)c3)(C(F)(F)F)C(F)(F)F)ccc12,0.103,,,,,12.31035991,,,,,,,,
*c1c(-c2ccccc2)c(-c2ccccc2)c(*)c2cc(C3(c4ccc(C#Cc5ccccc5)c(C#Cc5ccccc5)c4)c4ccccc4-c4ccccc43)ccc12,0.157,,,,,11.54976157,,,,,,,,
*c1c(-c2ccccc2)c(-c2ccccc2)c(*)c2cc(Oc3ccc(C#Cc4ccccc4)c(C#Cc4ccccc4)c3)ccc12,0.16,,,,,12.40164103,,,,,,,,
*c1c(C)cc(-c2cc(C)c(N3C(=O)c4ccc(Oc5cc6ccccc6cc5Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c(C)c2)cc1C,,,,,,20.2243,1.092816,,,,,,,
*c1c(C)cc(Cc2cc(C)c(N3C(=O)c4ccc(Oc5cc6ccccc6cc5Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c(C)c2)cc1C,,,,,,19.4437,1.125246,,,,,,,
*c1c(C)cc(Cc2cc(C)c(N3C(=O)c4ccc(Oc5ccc6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6c5)cc4C3=O)c(C)c2)cc1C,,,,,,21.76415,1.102131,,,,,,,
*c1c(C)cc(Cc2cc(C)c(N3C(=O)c4ccc(Oc5cccc6c(Oc7ccc8c(c7)C(=O)N(*)C8=O)cccc56)cc4C3=O)c(C)c2)cc1C,,,,,,19.382567,1.096324,,,,,,,
*c1c(F)c(F)c(*)c(F)c1F,0.892,10.961,3.511,,16.875695,21.90385,1.296751,9.517,1.361498,0.355,1.905956,6.81E-07,,
*c1c2ccccc2c(*)n1C,0.414,,,,,,,,,,,,,
*c1cc(*)c(O)c(/C=N/c2ccc(Cl)cc2)c1,0.141,,,,,13.61558599,,,,,,,,
*c1cc(*)c(O)c(/C=N/c2ccc(N3CCOCC3)cc2)c1,0.266,,,,,15.17923007,,,,,,,,
*c1cc(*)c(O)c(C=O)c1,,,,,26.194918,21.014667,1.205627,,1.580697,,2.958478,,,
*c1cc(*)cc(-c2nc3ccccc3o2)c1,,,,,25.741569,15.247217,1.141948,,1.671756,,2.907276,,,
*c1cc(-c2ccc(OCCCCCCCCCCS(=O)(=O)O)c(S(*)(=O)=O)c2)ccc1OCCCCCCCCCCS(=O)(=O)O,0.363,,,,,15.28987979,1.139516573,,,,,2.53E-07,,
*c1cc(-c2sc(-c3cc(CCCCCCCCCCCCCC)c(*)s3)cc2CCCCCCCCCCCCCC)c2cccccc1-2,0.316,,,,,,,,,,,,,
*c1cc(/C=N/c2ccc(C)cc2)c(*)c(OC)c1,0.215,,,,,24.66422713,,,,,,,,
*c1cc(/C=N/c2cccc(C)c2)cc(*)c1O,0.192,,,,,13.46142519,,,,,,,,
*c1cc(/N=N/c2ccc(C#N)cc2)cc(*)c1O,0.22,4.942,2.866,,,16.53818682,1.063718394,7.205,,0.257,,,1.18E-07,0.028050769
*c1cc(/N=N/c2ccc(OC)cc2)cc(*)c1O,0.248,4.138,2.323,,,15.55431246,1.119389519,5.87,,0.264,,,5.31E-08,0.024849831
*c1cc(C=O)cc(*)c1O,,,,,33.132702,18.532833,1.241784,,1.603676,,3.742037,,,
*c1cc(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(*)s1,0.138,,,,,,,,,,,,,
*c1cc(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(*)s1,0.109,,,,,,,,,,,,,
*c1cc(CCCC)c(*)s1,0.345,,,,,,,,,,,,,
*c1cc(CCCCCC)c(*)cc1CCCCCC,0.327,4.744,2.222,,,16.89627126,0.846070325,5.766,,0.297,,2.48E-07,,
*c1cc(CCCCCCCCCCCC)c(*)cc1CCCCCCCCCCCC,0.365,4.044,1.403,,,11.74161872,,3.773,,0.345,,,,
*c1cc(CCCCCCCCCCCCC)c(*)s1,0.468,5.229,2.163,,,16.27456982,,5.703,,0.318,,,,
*c1cc(CCCCCCCCCCCCCC)c(*)s1,0.439,5.343,1.975,,,16.14848283,,5.275,,0.335,,,,
*c1cc(CCCCCCCCCCCCCCC)c(*)s1,0.413,4.947,1.746,,,16.04613034,,4.687,,0.342,,,,
*c1cc(CCCCCCCCCCCCCCCC)c(*)[nH]1,0.341,4.799,1.679,,,14.71408344,,4.511,,0.343,,,,
*c1cc(CCCCCCCCCCCCCCCC)c(*)s1,0.381,,,,,,,,,,,,,
*c1cc(CCCCCCCCCCCCCCCCC)c(*)s1,0.396,,,,,,,,,,,,,
*c1cc(CCCCCCCCCCCCCCCCCC)c(*)s1,0.442,4.582,1.765,,,14.38765864,,4.692,,0.329,,,,
*c1cc(CCCCCCCCCCCCCCCCCCC)c(*)s1,0.34,,,,,,,,,,,,,
*c1cc(CCCCCCCCCCCCCCCCCCCCCC)c(*)s1,0.428,4.96,1.742,,,15.35786351,,4.678,,0.343,,,,
*c1cc(CCCc2ccccc2)c(*)s1,0.382,,,,,,,,,,,,,
*c1cc(Cl)c(OC(=O)c2cccc(C(=O)Oc3c(Cl)cc(C4(*)OC(=O)c5ccccc54)cc3Cl)c2)c(Cl)c1,0.132,,,,,,,,,,,,,
*c1cc(I)c(OC(=O)c2cccc(C(=O)Oc3c(I)cc(C4(*)OC(=O)c5ccccc54)cc3I)c2)c(I)c1,0.125,,,,,,,,,,,,,
*c1cc(N2C(=O)c3ccc(Oc4cc5ccccc5cc4Oc4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)cc(C(F)(F)F)c1,,,,,,16.962967,1.251261,,,,,,,
*c1cc(N2C(=O)c3ccc(Oc4ccc5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5c4)cc3C2=O)cc(C(F)(F)F)c1,,,,,,23.488183,1.287744,,,,,,,
*c1cc(N2C(=O)c3ccc(Oc4cccc5c(Oc6ccc7c(c6)C(=O)N(*)C7=O)cccc45)cc3C2=O)cc(C(F)(F)F)c1,,,,,,22.841767,1.245709,,,,,,,
*c1cc(O)c(O)cc1*,0.183,0.721,1.772,,24.975187,14.05275,1.067172,2.922,1.468214,-0.175,2.82072,1.87E-07,,
*c1cc(OCC)c(*)cc1OC,0.313,8.043,3.683,,,34.50764269,0.903468314,9.586,,0.301,,2.80E-07,,
*c1cc(OCC)c(*)cc1OCC,0.357,6.517,3.38,,,30.04258123,0.921235814,8.645,,0.279,,3.01E-07,,
*c1cc(OCCCCCC)c(*)cc1OC,0.468,7.318,3.319,,,22.45725786,0.954754285,8.649,,0.303,,3.52E-07,,
*c1cc(OCCCCCCC)c(*)s1,0.477,,,,,,,,,,,,,
*c1cc(OCCCCCCCCCC)c(*)cc1OCCCCCCCCCC,0.256,,,,,,,,,,,,,
*c1cc(OCCCCCCCCCC)cc(-c2nc3cc4sc(*)nc4cc3s2)c1,0.643,,,,,,,,,,,,,
*c1cc(OCCCCCCCCCCCC)c(*)cc1O,0.309,,,,,17.49332984,,,,,,,,
*c1cc(OCCCCCCCCCCCC)cc(-c2nc3cc4sc(*)nc4cc3s2)c1,0.469,,,,,,,,,,,,,
*c1cc(OCCOCCCC)c(*)s1,0.446,,,,,,,,,,,,,
*c1cc2cccccc-2c1*,0.163,,,,22.594571,15.437867,0.88454,,1.574865,,2.551851,1.96E-07,,
*c1ccc(*)c(CCCCCC)c1,0.537,5.978,2.74,,,25.76883079,0.803880053,7.131,,0.301,,4.66E-07,,
*c1ccc(*)c(N(C)C)c1,0.758,8.267,3.737,,,37.70047547,0.862318404,9.743,,0.304,,6.94E-07,,
*c1ccc(*)c(OC)c1N,0.503,7.217,2.916,,,35.38794264,0.948069021,7.71,,0.322,,4.81E-07,,
*c1ccc(*)c(OCCCCCCCCCC)c1,0.292,,,,,20.0648062,0.917784957,,,,,2.13E-07,,
*c1ccc(*)c2ccccc12,0.571,,,,21.095832,31.197567,0.903592,,1.528164,,2.382582,6.60E-07,,
*c1ccc(*)c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(-c4ccccc4)cc3)nc12,0.162,,,,,,,,,,,,,
*c1ccc(*)c2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)nc12,0.002,,,,17.742289,17.732483,0.696121,,1.399705,,2.00383,,,
*c1ccc(*)c2nc(-c3ccccc3)c(-c3ccccc3)nc12,0.211,,,,20.340893,16.976033,0.868472,,1.497955,,2.297319,,,
*c1ccc(*)c2nc(CC)c(CC)nc12,,,,,20.306058,16.501717,0.91159,,1.494846,,2.293385,,,
*c1ccc(*)c2nc(CCCCCCC)c(CCCCCCC)nc12,0.312,,,,20.957232,13.848117,0.919578,,1.512936,,2.366929,,,
*c1ccc(*)c2nccnc12,0.484,,,,23.115693,23.466333,1.088104,,1.588372,,2.610707,,,
*c1ccc(*)cc1,,,,,30.501509,75.2242,1.362471,,1.841787,,3.444868,,,
*c1ccc(*)nc1,,,,,25.972909,36.725967,1.074548,,1.550229,,2.933404,,,
*c1ccc(-c2cc(-c3ccc(OCCCCCC)cc3)cc(-c3ccc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(*)ccc4-5)cc3)c2-c2ccc(OCCCCCC)cc2)cc1,0.29,,,376.27,,19.66529502,,,,,,,6.38E-07,0.012242167
*c1ccc(-c2cc(C(C)(C)C)c(Oc3ccc(N4C(=O)c5ccc(S(=O)(=O)c6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)c(C(C)(C)C)c2)cc1,0.19,,,,,25.14087115,1.038295729,,,,,1.72E-07,,
*c1ccc(-c2cc(C(C)(C)C)c(Oc3ccc(N4C(=O)c5ccc(S(=O)(=O)c6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3C(F)(F)F)c(C(C)(C)C)c2)cc1,0.178,,,,,22.26727724,1.056036478,,,,,1.60E-07,,
*c1ccc(-c2cc(CCCCCC)c(-c3ccc(-c4ccc5ccc6ccc(*)nc6c5n4)cc3)cc2CCCCCC)cc1,0.203,,,,,,,,,,,,,
*c1ccc(-c2cc(CCCCCCCCCCCC)c(*)s2)s1,0.294,,,,,,,,,,,,,
*c1ccc(-c2ccc(*)c(C)c2)cc1C,0.522,,,,,45.238016,0.848474297,,,,,5.39E-07,,
*c1ccc(-c2ccc(*)c(Cl)c2)cc1Cl,0.527,,,,,55.64014003,1.042848665,,,,,5.64E-07,,
*c1ccc(-c2ccc(*)nc2)cn1,,,,,24.330439,29.648117,1.138571,,1.621535,,2.747902,,,
*c1ccc(-c2ccc(-c3ccc(*)n3C)o2)o1,,,,,27.13844,23.045483,1.159483,,1.670088,,3.06504,,,
*c1ccc(-c2ccc(-c3ccc(C(*)(CC)C(F)(F)F)cc3)cc2)cc1,0.236,,,,,22.38019563,,,,,,,,
*c1ccc(-c2ccc(-c3ccc(C(*)(c4c(F)c(F)c(F)c(F)c4F)C(F)(F)F)cc3)cc2)cc1,0.172,,,,,23.544983,1.152389,,,,,1.47E-07,,
*c1ccc(-c2ccc(-c3ccc(C(*)(c4ccc(F)cc4)C(F)(F)F)cc3)cc2)cc1,0.22,,,,,20.10820886,,,,,,,,
*c1ccc(-c2ccc(-c3ccc(C(*)(c4ccc(N(C)C)cc4)C(F)(F)F)cc3)cc2)cc1,0.276,,,,21.808055,20.884317,1.000653,,1.529635,,2.463022,2.52E-07,,
*c1ccc(-c2ccc(-c3ccc(C(*)(c4ccccc4)C(F)(F)F)cc3)cc2)cc1,0.278,,,,,20.98387032,,,,,,,,
*c1ccc(-c2ccc(-c3ccc(C(*)c4c(F)c(F)c(F)c(F)c4F)cc3)cc2)cc1,0.291,,,,21.36198,25.38025,1.103832,,1.526929,,2.412641,2.55E-07,,
*c1ccc(-c2ccc(-c3cnc4cc(Oc5ccc6nc(*)cnc6c5)ccc4n3)cc2)cc1,,,,,,34.758017,1.036152,,,,,,,
*c1ccc(-c2ccc(-c3nc4cc(Oc5ccc6nc(-c7ccccc7)c(*)nc6c5)ccc4nc3-c3ccccc3)cc2)cc1,,,,,,23.2766,0.969317,,,,,,,
*c1ccc(-c2ccc(-c3sc(*)c(CCCCCCCCCCCC)c3CCCCCCCCCCCC)s2)s1,0.299,,,,,,,,,,,,,
*c1ccc(-c2ccc(C(*)(C)C(F)(F)F)cc2)cc1,0.194,,,,,21.06056085,,,,,,,,
*c1ccc(-c2ccc(C(*)(C)C)cc2)cc1,0.247,,,,,21.2582938,,,,,,,,
*c1ccc(-c2ccc(C(*)(c3ccc(F)cc3)C(F)(F)F)cc2)cc1,0.185,,,,,20.76961788,,,,,,,,
*c1ccc(-c2ccc(C(*)(c3ccccc3)C(F)(F)F)cc2)cc1,0.233,,,,,19.28801766,,,,,,,,
*c1ccc(-c2ccc(C3(*)CCCCC3)cc2)cc1,0.252,,,,,16.14335044,,,,,,,1.81E-06,0.008938329
*c1ccc(-c2ccc(C3(*)c4ccccc4-c4ccccc43)cc2)cc1,0.203,,,693.75,,19.6709247,,,,,,,2.95E-07,0.016010289
*c1ccc(-c2ccc(S(=O)(=O)NCCCCCCNS(*)(=O)=O)cc2)cc1,0.221,,,,,27.73745482,1.226652168,,,,,1.62E-07,,
*c1ccc(-c2ccc3c(c2)C(CCCCCC)(CCCCCC)c2cc(*)ccc2-3)cc1,0.376,3.839,1.735,475.59,,27.96449264,,4.524,,0.304,,,4.39E-08,0.04345048
*c1ccc(-c2ccc3c(c2)C(CCCCCCBr)(CCCCCCBr)c2cc(*)ccc2-3)cc1,0.236,,,284.57,,29.39678289,,,,,,,3.97E-06,0.09665821
*c1ccc(-c2ccc3c(c2)C(CCCCCCC#N)(CCCCCCC#N)c2cc(*)ccc2-3)cc1,0.487,5.721,2.286,391.59,,28.6824407,,6.052,,0.324,,,6.67E-08,0.01194881
*c1ccc(-c2ccc3nc(Oc4cc(-c5ccccc5)c5cc(*)ccc5n4)cc(-c4ccccc4)c3c2)cc1,,,,,,23.557367,0.989096,,,,,,,
*c1ccc(-c2cnc3cc(Oc4ccc5nc(*)cnc5c4)ccc3n2)cc1,,,,,,31.945917,1.045706,,,,,,,
*c1ccc(-c2cnc3ccc(Oc4ccc5ncc(*)nc5c4)cc3n2)cc1,,,,,,24.386967,1.113972,,,,,,,
*c1ccc(-c2nc3cc(C)ccc3o2)c(*)c1,,,,,23.357521,16.007583,1.020147,,1.578687,,2.63802,,,
*c1ccc(-c2nc3cc(Oc4ccc5nc(*)c(-c6ccccc6)nc5c4)ccc3nc2-c2ccccc2)cc1,,,,,,22.274717,0.977634,,,,,,,
*c1ccc(-c2nc3cc(Oc4ccc5nc(-c6ccccc6)c(*)nc5c4)ccc3nc2-c2ccccc2)cc1,,,,,,17.74035,0.981361,,,,,,,
*c1ccc(-c2nc3cc(S(=O)(=O)c4ccc5nc(-c6ccccc6)c(-c6ccc(N7C(=O)C8OC9C(=O)N(*)C(=O)C9C8C7=O)cc6)nc5c4)ccc3nc2-c2ccccc2)cc1,0.175,,,,,,,,,,,,,
*c1ccc(-c2nc3ccc(Oc4ccc5nc(*)c(-c6ccccc6)c(-c6ccccc6)c5c4)cc3c(-c3ccccc3)c2-c2ccccc2)cc1,0.338,2.184,2.308,,,24.4071974,,5.12,,0.109,,,,
*c1ccc(-c2nc3ccc(Oc4ccc5nc(*)c(-c6ccccc6)nc5c4)cc3nc2-c2ccccc2)cc1,,,,,,31.689933,0.96472,,,,,,,
*c1ccc(-c2nc3ccccc3o2)c(*)c1,,,,,24.07498,17.0111,1.084555,,1.612394,,2.71905,,,
*c1ccc(-c2nnc(-c3cccc(-c4nnc(*)n4-c4ccccc4)c3)n2-c2ccccc2)cc1,0.389,4.356,2.364,,,24.31804369,,6.006,,0.27,,,3.49E-06,0.008533498
*c1ccc(-c2sc(-c3cc(CCCCCCCCCCCC)c(*)s3)cc2CCCCCCCCCCCC)cc1,0.4,4.98,2.408,362.76,,19.30135388,,6.221,,0.292,,,2.04E-06,0.011544239
*c1ccc(-c2sc(-c3cc(CCCCCCCCCCCC)c(*)s3)cc2CCCCCCCCCCCC)s1,0.34,,,,,,,,,,,,,
*c1ccc(-c2sc(-c3cc(SCCCCCCCCCCCC)c(*)s3)cc2SCCCCCCCCCCCC)cc1,0.349,,,,,,,,,,,,,
*c1ccc(C(=O)NC2CCC(NC(=O)c3ccc(C4(*)OC(=O)c5ccccc54)cc3)CC2)cc1,0.215,,,,,,,,,,,,,
*c1ccc(C(=O)NCCCCCCNC(=O)c2ccc(C3(*)OC(=O)c4ccccc43)cc2)cc1,0.237,,,,,,,,,,,,,
*c1ccc(C(C#N)(C#N)C(*)(C#N)C#N)cc1,0.133,2.504,1.715,,,14.52936622,0.95194847,4.189,,0.221,,1.49E-07,,
*c1ccc(C(C)(C)c2ccc(-n3c(=O)c4cc5c(=O)n(*)c(=O)c5cc4c3=O)cc2)cc1,,,,,,26.04028859,,,,,,,,
*c1ccc(C(C)(C)c2ccc(N3C(=O)c4ccc(Oc5ccc6cc(Oc7ccc8c(c7)C(=O)N(*)C8=O)ccc6c5)cc4C3=O)cc2)cc1,,,,,,21.04305,1.154665,,,,,,,
*c1ccc(C(C)(C)c2ccc(N3C(=O)c4ccc(Oc5ccc6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6c5)cc4C3=O)cc2)cc1,,,,,,25.016267,1.132128,,,,,,,
*c1ccc(C(C)(C)c2ccc(N3C(=O)c4ccc(Oc5cccc6c(Oc7ccc8c(c7)C(=O)N(*)C8=O)cccc56)cc4C3=O)cc2)cc1,,,,,,22.07845,1.135503,,,,,,,
*c1ccc(C(Cl)(Cl)C(*)Cl)cc1,0.115,,,472.13,,22.60669784,,,,,,,3.96E-07,0.008635864
*c1ccc(C(F)(F)C(*)(F)F)cc1,0.101,,,415.18,,14.15050853,,,,,,,5.55E-07,0.027984514
*c1ccc(C(c2ccc(N3C(=O)c4ccc(Oc5cc6ccccc6cc5Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)(C(F)(F)F)C(F)(F)F)cc1,,,,,,19.541183,1.266069,,,,,,,
*c1ccc(C(c2ccc(N3C(=O)c4ccc(Oc5ccc6cc(Oc7ccc8c(c7)C(=O)N(*)C8=O)ccc6c5)cc4C3=O)cc2)(C(F)(F)F)C(F)(F)F)cc1,,,,,,28.278083,1.22555,,,,,,,
*c1ccc(C(c2ccc(N3C(=O)c4ccc(Oc5ccc6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6c5)cc4C3=O)cc2)(C(F)(F)F)C(F)(F)F)cc1,,,,,,22.837533,1.232586,,,,,,,
*c1ccc(C(c2ccc(N3C(=O)c4ccc(Oc5cccc6c(Oc7ccc8c(c7)C(=O)N(*)C8=O)cccc56)cc4C3=O)cc2)(C(F)(F)F)C(F)(F)F)cc1,,,,,,23.209967,1.17469,,,,,,,
*c1ccc(C2C(C#N)(C(=O)OCCC)C(*)C2(C#N)C(=O)OCCC)cc1,0.258,4.256,2.062,,,18.68469518,,5.326,,0.291,,,,
*c1ccc(C2C(C(=O)OCC)C(*)C2C(=O)OCC)cc1,0.234,5.104,2.296,,24.323062,16.608717,1.050188,5.99,1.466591,0.304,2.747069,1.77E-07,,
*c1ccc(C2C(C(=O)Oc3ccccc3)C(*)C2C(=O)Oc2ccccc2)cc1,0.225,,,,,15.65581185,,,,,,,,
*c1ccc(Cc2ccc(-n3c(=O)c4cc5c(=O)n(*)c(=O)c5cc4c3=O)cc2)cc1,,6.494,1.903,663.36,,27.37466058,,5.201,,0.367,,,,
*c1ccc(Cc2ccc(N3C(=O)CC(Nc4ccc(NC5CC(=O)N(*)C5=O)cc4)C3=O)cc2)cc1,0.267,,,,,,,,,,,,,
*c1ccc(Cc2ccc(N3C(=O)CC(Nc4cccc(NC5CC(=O)N(*)C5=O)c4)C3=O)cc2)cc1,0.227,,,,,,,,,,,,,
*c1ccc(Cc2ccc(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c(C(C)(C)C)c2)cc1C(C)(C)C,0.153,,,,,20.63180282,1.011327552,,,,,1.39E-07,,
*c1ccc(Cc2ccc(S(*)(=O)=O)cc2)cc1,0.216,,,,,17.07048045,,,,,,,7.27E-06,0.007821518
*c1ccc(N(*)C)cc1,0.383,,,,,20.07206988,1.082186271,,,,,2.93E-07,,
*c1ccc(N(*)CC)cc1,0.327,,,,,15.20601124,1.047330737,,,,,2.45E-07,,
*c1ccc(N(*)CCCCCCCC)cc1,0.401,,,,,16.28982326,0.934178606,,,,,2.87E-07,,
*c1ccc(N(*)CCCCCCCCCC)cc1,0.371,,,,,13.9140732,0.907354687,,,,,2.67E-07,,
*c1ccc(N(*)CCCCCCCCCCCC)cc1,0.363,,,,,14.89147315,0.895382151,,,,,2.59E-07,,
*c1ccc(N2C(=O)CC(Nc3ccc(Cc4ccc(NC5CC(=O)N(*)C5=O)cc4)cc3)C2=O)cc1,0.314,,,,,,,,,,,,,
*c1ccc(N2C(=O)c3ccc(-c4cccc5c4C(=O)N(*)C5=O)cc3C2=O)cc1,0.233,8.198,2.737,703.83,,22.05257254,,7.389,,0.35,,,8.02E-06,0.009128925
*c1ccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4ccc(-c6nc7cc(-c8ccc9nc(-c%10ccccc%10)c(*)nc9c8)ccc7nc6-c6ccccc6)cc4)C5=O)cc3C2=O)cc1,0.224,,,,,22.18257973,,,,,,,,
*c1ccc(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N(c4ccc(N6C(=O)c7ccc(-c8ccc9c(c8)C(=O)N(*)C9=O)cc7C6=O)cc4)C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)cc1,0.247,,,,,27.20202863,1.241777114,,,,,2.08E-07,2.97E-07,0.01361173
*c1ccc(NC(=O)CCCCCCCCC(=O)NS(*)(=O)=O)cc1,0.237,,,,,21.72997802,1.157252071,,,,,1.71E-07,,
*c1ccc(NC(=O)Nc2ccc(NC(=O)Nc3ccc(-c4nc(-c5ccc([N+](=O)[O-])cc5)[nH]c4*)cc3)cc2)cc1,0.269,,,,,19.2258376,,,,,,,,
*c1ccc(NC(=O)Nc2ccc(NC(=O)Nc3ccc(-c4nc(C#N)c(C#N)nc4*)cc3)cc2)cc1,0.301,,,,,19.52705482,,,,,,,,
*c1ccc(OC(=O)CCCCC(=O)Oc2ccc(C3(*)OC(=O)c4ccccc43)cc2)cc1,0.212,,,,,,,,,,,,,
*c1ccc(OC(=O)c2c(Cl)c(Cl)c(C(=O)Oc3ccc(C4(*)OC(=O)c5ccccc54)cc3)c(Cl)c2Cl)cc1,0.189,,,,,,,,,,,,,
*c1ccc(OC(=O)c2cc(C(=O)Oc3ccc(C4(*)OC(=O)c5ccccc54)cc3)cc(C(C)(C)C)c2)cc1,,,,,,18.8993,1.082543,,,,,,0.017764408,0.009625574
*c1ccc(OC(=O)c2cc(Cl)c(C(=O)Oc3ccc(C4(*)OC(=O)c5ccccc54)cc3)cc2Cl)cc1,0.236,,,,,,,,,,,,,
*c1ccc(OC(=O)c2cc(Cl)cc(C(=O)Oc3ccc(C4(*)OC(=O)c5ccccc54)cc3)c2)cc1,,,,,,21.4243,1.216541,,,,,,0.011711431,0.009004363
*c1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(C4(*)NC(=O)c5ccccc54)cc3)cc2)cc1,,,,,,28.5679,1.157496,,,,,,,
*c1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(C4(*)OC(=O)c5ccccc54)cc3)cc2)cc1,,,,,,26.20195,1.155778,,,,,,0.003455955,0.008135314
*c1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(C4(*)c5ccccc5C(=O)N4C)cc3)cc2)cc1,0.299,,,,,,,,,,,,,
*c1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C4(*)C(=O)Nc5c(Cl)cc(Cl)cc54)cc3)c2)cc1,0.191,,,,,,,,,,,,,
*c1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C4(*)C(=O)Nc5ccccc54)cc3)c2)cc1,0.201,,,,,,,,,,,,,
*c1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C4(*)NC(=O)c5ccccc54)cc3)c2)cc1,,,,,,21.709867,1.180432,,,,,,,
*c1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C4(*)OC(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c54)cc3)c2)cc1,0.176,,,,,,,,,,,,,
*c1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C4(*)OC(=O)c5ccccc54)cc3)c2)cc1,,,,,,18.02555,1.178401,,,,,,0.002417102,0.006899845
*c1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C4(*)OC(=O)c5ccccc54)cc3C)c2)c(C)c1,0.191,,,,,,,,,,,,,
*c1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C4(*)c5ccccc5C(=O)N4C)cc3)c2)cc1,0.221,,,,,,,,,,,,,
*c1ccc(OC(=S)Oc2ccc(C3(*)OC(=O)c4ccccc43)cc2)cc1,0.177,,,,,,,,,,,,,
*c1ccc(Oc2ccc(-c3c(-c4ccccc4)c(-c4ccc(-c5nc6ccccc6c(*)c5-c5ccccc5)cc4)nc4ccccc34)cc2)cc1,0.225,,,,,19.1857562,0.983929913,,,,,,,
*c1ccc(Oc2ccc(-c3cc(-c4ccccc4)c4cc(Oc5ccc6nc(*)cc(-c7ccccc7)c6c5)ccc4n3)cc2)cc1,,,,,,26.3755,1.05246,,,,,,,
*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(-c5cnc6cc(-c7ccc8nc(*)cnc8c7)ccc6n5)cc4)cc3)cc2)cc1,0.729,7.356,2.473,,,35.31873926,1.097241305,6.671,,0.349,,,,
*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7cc8ccccc8cc7Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6C5=O)cc4)cc3)cc2)cc1,,,,,,18.81145,1.193213,,,,,,,
*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccc8cc(Oc9ccc%10c(c9)C(=O)N(*)C%10=O)ccc8c7)cc6C5=O)cc4)cc3)cc2)cc1,,,,,,31.427833,1.194599,,,,,,,
*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccc8ccc(Oc9ccc%10c(c9)C(=O)N(*)C%10=O)cc8c7)cc6C5=O)cc4)cc3)cc2)cc1,,,,,,25.677633,1.203075,,,,,,,
*c1ccc(Oc2ccc(-c3ccc4nc(Oc5cc(-c6ccccc6)c6cc(*)ccc6n5)cc(-c5ccccc5)c4c3)cc2)cc1,,,,,,24.940617,1.006166,,,,,,,
*c1ccc(Oc2ccc(-c3cnc4cc(-c5ccc6nc(*)cnc6c5)ccc4n3)cc2)cc1,,,,,,34.2805,1.062377,,,,,,,
*c1ccc(Oc2ccc(-c3cnc4cc(Oc5ccc6nc(*)cnc6c5)ccc4n3)cc2)cc1,,,,,,27.748583,1.103957,,,,,,,
*c1ccc(Oc2ccc(-c3cnc4cc5nc(*)cnc5cc4n3)cc2)cc1,,,,,,27.893217,1.093802,,,,,,,
*c1ccc(Oc2ccc(-c3cnc4cc5ncc(*)nc5cc4n3)cc2)cc1,,,,,,33.584317,1.090047,,,,,,,
*c1ccc(Oc2ccc(-c3cnc4ccc(-c5ccc6nc(*)cnc6c5)cc4n3)cc2)cc1,,,,,,28.200933,1.067397,,,,,,,
*c1ccc(Oc2ccc(-c3cnc4ccc(-c5ccc6ncc(*)nc6c5)cc4n3)cc2)cc1,,,,,,26.687133,1.069051,,,,,,,
*c1ccc(Oc2ccc(-c3cnc4ccc(Oc5ccc6nc(*)cnc6c5)cc4n3)cc2)cc1,,,,,,32.743833,1.106149,,,,,,,
*c1ccc(Oc2ccc(-c3csc(/N=C/c4ccc(OCCCCCCCCCCOc5ccc(/C=N/c6nc(*)cs6)cc5OC)c(OC)c4)n3)cc2)cc1,0.383,,,,,25.20372326,,,,,,,,
*c1ccc(Oc2ccc(-c3csc(/N=C/c4ccc(OCCCCCCCCOc5ccc(/C=N/c6nc(*)cs6)cc5OC)c(OC)c4)n3)cc2)cc1,0.228,,,,,22.18616489,,,,,,,,
*c1ccc(Oc2ccc(-c3csc(/N=C/c4ccc(OCCCCCCOc5ccc(/C=N/c6nc(*)cs6)cc5OC)c(OC)c4)n3)cc2)cc1,0.253,,,,,25.72208422,,,,,,,,
*c1ccc(Oc2ccc(-c3csc(/N=C/c4ccc(OCCCCOc5ccc(/C=N/c6nc(*)cs6)cc5OC)c(OC)c4)n3)cc2)cc1,0.218,,,,,22.30818162,,,,,,,,
*c1ccc(Oc2ccc(-c3csc(/N=C/c4ccc(OCCOc5ccc(/C=N/c6nc(*)cs6)cc5OC)c(OC)c4)n3)cc2)cc1,0.243,,,,,27.2941531,,,,,,,,
*c1ccc(Oc2ccc(-c3nc4cc(-c5ccc6nc(*)c(-c7ccccc7)nc6c5)ccc4nc3-c3ccccc3)cc2)cc1,,,,,,25.437233,0.905398,,,,,,,
*c1ccc(Oc2ccc(-c3nc4cc(Oc5ccc6nc(*)c(-c7ccccc7)nc6c5)ccc4nc3-c3ccccc3)cc2)cc1,,,,,,25.2702,1.015353,,,,,,,
*c1ccc(Oc2ccc(-c3nc4cc(Oc5ccc6nc(-c7ccccc7)c(*)nc6c5)ccc4nc3-c3ccccc3)cc2)cc1,,,,,,18.988133,1.040559,,,,,,,
*c1ccc(Oc2ccc(-c3nc4cc(S(=O)(=O)c5ccc6nc(-c7ccccc7)c(*)nc6c5)ccc4nc3-c3ccccc3)cc2)cc1,,,,,,18.2192,1.141637,,,,,,,
*c1ccc(Oc2ccc(-c3nc4ccc(-c5ccc6nc(*)c(-c7ccccc7)nc6c5)cc4nc3-c3ccccc3)cc2)cc1,,,,,,30.260617,0.948962,,,,,,,
*c1ccc(Oc2ccc(-c3nc4ccc(Oc5ccc6nc(*)c(-c7ccccc7)nc6c5)cc4nc3-c3ccccc3)cc2)cc1,,,,,,27.708133,0.952256,,,,,,,
*c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(-c5nc6ccccc6n5-c5ccc(-n6c(*)nc7ccccc76)cc5)cc4)cc3)cc2)cc1,,,,,,20.43155,1.096003,,,,,,,
*c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(-n5c(=O)c6cc7c(=O)n(*)c(=O)c7cc6c5=O)cc4C(F)(F)F)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(C(F)(F)F)c1,0.213,,,,,28.04386833,,,,,,,,
*c1ccc(Oc2ccc(N3C(=O)CC(Nc4ccc(Cc5ccc(NC6CC(=O)N(*)C6=O)cc5)cc4)C3=O)cc2)cc1,0.289,,,,,,,,,,,,,
*c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5cc6ccccc6cc5Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,0.244,6.676,1.423,,,21.51323228,1.208411141,3.986,,0.4,,2.08E-07,,
*c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc6cc(Oc7ccc8c(c7)C(=O)N(*)C8=O)ccc6c5)cc4C3=O)cc2)cc1,,,,,,25.494583,1.193055,,,,,,,
*c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6c5)cc4C3=O)cc2)cc1,,,,,,23.336133,1.206474,,,,,,,
*c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5cccc6c(Oc7ccc8c(c7)C(=O)N(*)C8=O)cccc56)cc4C3=O)cc2)cc1,,,,,,26.588267,1.205446,,,,,,,
*c1ccc(Oc2ccc(Oc3ccc(-c4cnc5cc(-c6ccc7nc(*)cnc7c6)ccc5n4)cc3)cc2)cc1,,,,,,34.804067,1.058044,,,,,,,
*c1ccc(Oc2ccc(Oc3ccc(-c4cnc5ccc(-c6ccc7nc(*)cnc7c6)cc5n4)cc3)cc2)cc1,,,,,,26.9348,1.088351,,,,,,,
*c1ccc(Oc2ccc(Oc3ccc(-c4cnc5ccc(-c6ccc7ncc(*)nc7c6)cc5n4)cc3)cc2)cc1,,,,,,26.99005,1.066501,,,,,,,
*c1ccc(Oc2ccc(Oc3ccc(N4C(=O)C(c5ccccc5)=C(c5ccc(C6=C(c7ccccc7)C(=O)N(*)C6=O)cc5)C4=O)cc3)cc2)cc1,0.27,,,,,23.65758068,,,,,,,,
*c1ccc(Oc2ccc(Oc3ccc(N4C(=O)c5ccc(Oc6cc7ccccc7cc6Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)cc2)cc1,,,,,,22.902033,1.196947,,,,,,,
*c1ccc(Oc2ccc(Oc3ccc(N4C(=O)c5ccc(Oc6ccc7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7c6)cc5C4=O)cc3)cc2)cc1,,,,,,27.284633,1.176896,,,,,,,
*c1ccc(Oc2ccc(Oc3ccc(Oc4ccc(-c5cnc6cc(-c7ccc8nc(*)cnc8c7)ccc6n5)cc4)cc3)cc2)cc1,,,,,,35.1591,1.086772,,,,,,,
*c1ccc(Oc2ccc(Oc3ccc(Oc4ccc(-c5cnc6ccc(-c7ccc8nc(*)cnc8c7)cc6n5)cc4)cc3)cc2)cc1,,,,,,27.745483,1.104454,,,,,,,
*c1ccc(Oc2ccc(Oc3ccc(Oc4ccc(-c5cnc6ccc(-c7ccc8ncc(*)nc8c7)cc6n5)cc4)cc3)cc2)cc1,,,,,,24.470917,1.104829,,,,,,,
*c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(-c5nc6ccccc6n5-c5ccc(-n6c(*)nc7ccccc76)cc5)cc4)cc3)cc2)cc1,,,,,,17.1162,1.164962,,,,,,,
*c1ccc(Oc2cccc(N3C(=O)c4ccc(Oc5cc6ccccc6cc5Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)cc1,,,,,,18.3824,1.209963,,,,,,,
*c1ccc(Oc2cccc(N3C(=O)c4ccc(Oc5ccc6cc(Oc7ccc8c(c7)C(=O)N(*)C8=O)ccc6c5)cc4C3=O)c2)cc1,,,,,,29.12125,1.192533,,,,,,,
*c1ccc(Oc2cccc(N3C(=O)c4ccc(Oc5ccc6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6c5)cc4C3=O)c2)cc1,,,,,,22.1487,1.211292,,,,,,,
*c1ccc(Oc2cccc(N3C(=O)c4ccc(Oc5cccc6c(Oc7ccc8c(c7)C(=O)N(*)C8=O)cccc56)cc4C3=O)c2)cc1,,,,,,22.115917,1.199396,,,,,,,
*c1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)c2)cc1,0.249,,,,,,,,,,,,,
*c1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5ccc(Oc6cc7ccccc7cc6Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)c2)cc1,,,,,,19.5548,1.206182,,,,,,,
*c1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5cccc(Oc6cccc(Oc7cccc8c7C(=O)N(*)C8=O)c6)c5C4=O)cc3)c2)cc1,0.165,,,,,17.29130819,,,,,,,,
*c1ccc(Sc2ccc(-c3nc4cc(-c5ccc6nc(-c7ccccc7)c(*)nc6c5)ccc4nc3-c3ccccc3)cc2)cc1,,,,,,20.797233,1.055249,,,,,,,
*c1ccc(Sc2ccc(-c3nc4ccc(-c5ccc6nc(*)c(-c7ccccc7)nc6c5)cc4nc3-c3ccccc3)cc2)cc1,,,,,,24.675617,1.020581,,,,,,,
*c1ccc(Sc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,0.252,,,,,25.4996325,,,,,,,,
*c1ccc(Sc2ccc(Oc3ccc(Sc4ccc(N5C(=O)c6ccc(Oc7ccc(C(C)(C)c8ccc(Oc9ccc%10c(c9)C(=O)N(*)C%10=O)cc8)cc7)cc6C5=O)cc4)cc3)cc2)cc1,0.259,,,,,25.60844845,1.201486662,,,,,2.14E-07,,
*c1ccc(Sc2ccc(S(*)(=O)=O)cc2)cc1,0.188,,,,,,,,,,,,,
*c1ccc([N+](=O)[O-])c2c1C(=O)c1c([N+](=O)[O-])ccc(*)c1C2=O,,,,,24.595647,22.310933,1.319886,,1.568808,,2.777855,,,
*c1ccc2c(*)c(C)[nH]c2c1,0.33,,,,,,,,,,,,,
*c1ccc2c(c1)C(*)(C)CC2(C)C,,,,,19.166279,14.045717,0.857638,,1.458693,,2.164657,,,
*c1ccc2c(c1)C(=O)N(C1CCC(N3C(=O)c4ccc(C(*)(C(F)(F)F)C(F)(F)F)cc4C3=O)CC1)C2=O,0.151,,,,19.452258,21.4638,1.150973,,1.434541,,2.196956,1.25E-07,6.90E-08,0.011906287
*c1ccc2c(c1)C(=O)N(c1cc(OCCN(CC)c3ccc(/N=N/c4ccc([N+](=O)[O-])cc4)cc3)cc(N3C(=O)c4ccc(C(*)(C(F)(F)F)C(F)(F)F)cc4C3=O)c1)C2=O,0.154,,,606.15,,17.1881696,,,,,,,6.87E-06,0.012001991
*c1ccc2c(c1)C(=O)N(c1ccc(C(c3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)(C(F)(F)F)C(F)(F)F)cc1)C2=O,0.151,4.322,2.699,652.17,,23.62674435,,6.702,,0.242,,,6.52E-07,0.012630413
*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(c4ccc(Oc5ccc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5C(F)(F)F)cc4)(C(F)(F)F)C(F)(F)F)cc3)c(C(F)(F)F)c1)C2=O,0.152,,,,,21.47998959,,,,,,,,
*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc1)C2=O,0.165,,,,,22.86162547,,,,,,,,
*c1ccc2c(c1)C(=O)N(c1cccc(C(c3cccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c3)(C(F)(F)F)C(F)(F)F)c1)C2=O,0.111,,,644.3,,17.21424972,,,,,,,2.93E-06,0.012124669
*c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(-c3cc(CCCCCC)c(*)cc3CCCCCC)ccc1-2,0.46,4.77,2.066,476.36,,20.23991085,,5.416,,0.311,,,3.45E-07,0.009863772
*c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(-c3cc(CCCCCCCC)c(*)cc3CCCCCCCC)ccc1-2,0.349,3.816,1.75,361.2,,17.51524142,,4.554,,0.301,,,6.42E-08,0.021103747
*c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(-c3cc(CCCCCCCCCC)c(*)cc3CCCCCCCCCC)ccc1-2,0.216,4.09,1.642,,,18.38442171,,4.345,,0.323,,,,
*c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(-c3cc(OCCCCCCCC)c(*)cc3OCCCCCCCC)ccc1-2,0.291,4.451,2.08,340.4,,18.18381296,,5.399,,0.298,,,3.15E-07,0.018267419
*c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(-c3cc(OCc4ccccc4)c(*)cc3OCc3ccccc3)ccc1-2,0.184,,,369.78,,21.32352082,,,,,,,3.85E-07,0.021861947
*c1ccc2c(c1)SC1=Nc3cc(-c4ccc5c(c4)N=C4Sc6cc(*)ccc6N=C4N5)ccc3NC1=N2,0.506,2.865,0.749,,,27.5268485,,2.067,,0.38,,,,
*c1ccc2cc(*)ccc2c1,1.59,,,,,46.06064635,,,,,,,,
*c1ccc2ccc(*)cc2c1,0.221,,,,23.267065,22.62225,1.013382,,1.607762,,2.627803,2.27E-07,,
*c1ccc2ccc3c(*)cc(C#C)c4ccc1c2c34,0.582,4.297,1.857,,,36.29782929,,4.87,,0.311,,,,
*c1ccc2ccc3c(*)cc(C#CC=C)c4ccc1c2c34,0.429,3.279,1.532,,,34.48730282,,3.977,,0.298,,,,
*c1ccc2oc3ccc(S(*)(=O)=O)cc3c2c1,,,,,,17.607417,1.36384,,,,,,,
*c1ccc2oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(S(*)(=O)=O)cc5)cc4)cc3c2c1,,,,,,17.971017,1.330691,,,,,,,
*c1cccc(*)c1,0.341,3.763,0.716,,23.624664,20.103267,1.085747,2.02,1.621873,0.411,2.668191,3.03E-07,2.58E-09,0.012638765
*c1cccc(*)c1N,0.35,4.711,2.571,,28.711268,17.119233,1.091735,6.526,1.607516,0.269,3.242677,3.14E-07,,
*c1cccc(*)n1,,,,,22.53497,28.135717,1.114978,,1.568764,,2.54512,,,
*c1cccc(-c2cc(CCCCCCCCCCCCCC)cc(*)c2O)c1O,0.323,,,,,15.21983378,0.937095019,,,,,2.47E-07,,
*c1cccc(-c2cc(CCCCCCCCCCCCCCCC)cc(*)c2N)c1N,0.345,,,,,15.13396373,0.912752497,,,,,2.60E-07,,
*c1cccc(-c2nc3cc(Oc4ccc5nc(-c6ccccc6)c(*)nc5c4)ccc3nc2-c2ccccc2)c1,,,,,,19.0862,1.011134,,,,,,,
*c1cccc(-c2nc3ccc(-c4ccc5oc(*)nc5c4)cc3o2)c1,0.354,4.011,1.264,,,24.42078821,,3.432,,0.357,,,,
*c1cccc(-c2nc3ccc(Oc4ccc5nc(*)c(-c6ccccc6)nc5c4)cc3nc2-c2ccccc2)c1,,,,,,24.252183,0.97628,,,,,,,
*c1cccc(-n2c(=O)c3cc4c(=O)n(*)c(=O)c4cc3c2=O)c1,,,,,26.110641,20.89915,1.300939,,1.619331,,2.948959,,,
*c1cccc(-n2c(=O)c3cc4c(=O)n(*)c(=O)c4cc3c2=O)n1,,,,,25.906275,21.057317,1.299073,,1.595226,,2.925878,,,
*c1cccc(C(=O)Nc2ccc(Oc3ccc(Oc4ccc(NC(=O)c5cccc(N6C(=O)c7ccc(-c8cccc9c8C(=O)N(*)C9=O)cc7C6=O)c5)cc4)cc3)cc2)c1,0.236,,,,,19.14217514,,,,,,,,
*c1cccc(N/C=C/C(=O)c2ccc(C(=O)/C=C/Nc3cccc(S(*)(=O)=O)c3)cc2)c1,0.246,,,,,,,,,,,,,
*c1cccc(N/C=C/C(=O)c2cccc(C(=O)/C=C/Nc3cccc(S(*)(=O)=O)c3)c2)c1,0.178,,,,,,,,,,,,,
*c1cccc(N2C(=O)c3ccc(Oc4cc5ccccc5cc4Oc4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1,,,,,,18.977483,1.25356,,,,,,,
*c1cccc(N2C(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5)cc4)cc3C2=O)c1,,7.454,2.561,,,,,6.894,,0.346,,,,
*c1cccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C4(CC(C)(C)c6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc64)CC5(C)C)cc3C2=O)c1,,,,,,20.26112885,,,,,,,,
*c1cccc(N2C(=O)c3ccc(Oc4ccc5cc(Oc6ccc7c(c6)C(=O)N(*)C7=O)ccc5c4)cc3C2=O)c1,,,,,,25.8454,1.234897,,,,,,,
*c1cccc(N2C(=O)c3ccc(Oc4ccc5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5c4)cc3C2=O)c1,,,,,,23.84335,1.216489,,,,,,,
*c1cccc(N2C(=O)c3ccc(Oc4cccc5c(Oc6ccc7c(c6)C(=O)N(*)C7=O)cccc45)cc3C2=O)c1,,,,,,27.541967,1.198017,,,,,,,
*c1cccc(OCCCCCOc2cccc(N3C(=O)c4ccc(-c5cccc6c5C(=O)N(*)C6=O)cc4C3=O)c2)c1,0.198,,,,,15.32418106,1.181185328,,,,,,,
*c1cccc(Oc2ccc(-c3ccc(Oc4cccc(-n5c(=O)c6cc7c(=O)n(*)c(=O)c7cc6c5=O)c4)cc3)cc2)c1,,,,,,29.890867,1.206476,,,,,,,
*c1cccc2c(*)cccc12,0.685,,,,20.128762,37.7487,0.86018,,1.495868,,2.273361,8.30E-07,,
*c1cccc2c(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cccc12,0.353,,,,,,,,,,,,,
*c1cn(*)c2ccccc12,0.353,,,,,,,,,,,,,
*c1cnc(*)c(C)c1,,,,,21.797762,38.406083,0.940208,,1.485154,,2.461859,,,
*c1nc(-c2ccccc2)nc(N(*)C)n1,,,,,25.136547,14.3038,1.169992,,1.626007,,2.838944,,,
*c1nc(-c2ccccc2)nc(N(c2ccccc2)c2ncnc(N(*)c3ccccc3)n2)n1,0.185,4.305,2.227,478.71,,15.96371163,,5.698,,0.279,,,4.28E-07,0.004553128
*c1nc(C)nc(N(CCCCCCN(*)c2ccccc2)c2ccccc2)n1,0.21,,,312.66,,14.20899208,,,,,,,6.15E-08,0.014331434
*c1nc(CCCCCC)c(-c2sc(*)nc2CCCCCC)s1,0.425,,,,,,,,,,,,,
*c1nc(CCCCCCCCC)c(-c2sc(*)nc2CCCCCCCCC)s1,0.342,,,,,,,,,,,,,
*c1nc2cc(-c3ccc4[nH]c(-c5ccc(*)o5)nc4c3)ccc2[nH]1,0.446,8.647,2.005,,,30.38375991,,5.583,,0.392,,,,
*c1nc2cc3sc(-c4cc(OCCCCCCCCCCCC)c(*)cc4OCCCCCCCCCCCC)nc3cc2s1,0.404,7.071,3.205,,,22.57173018,,8.353,,0.303,,,,
*c1ncc(-c2cnc(*)c(C)c2)cc1C,,,,,20.916309,28.055567,0.956487,,1.510847,,2.362307,,,
*c1sc(*)c(OC)c1OC,0.433,,,,,,,,,,,,,
*c1sc(*)c(OCCCC)c1OCCCC,0.227,,,,,,,,,,,,,
*c1sc(*)c(OCCCCCCC)c1C,0.363,,,,,,,,,,,,,
*c1sc(*)c(OCCCCCCCCCCCC)c1C,0.43,4.834,1.827,,,16.11371346,,4.868,,0.332,,,,
*c1sc(*)c(OCCCCCCCCCCCCCC)c1C,0.408,4.637,1.638,,,14.84412514,,4.396,,0.342,,,,
*c1sc(*)c(OCCCCCCCCCCCCCCCC)c1C,0.388,,,,,,,,,,,,,
*c1sc(*)c(OCCCCCCCCCCCCCCCCCCCC)c1C,0.41,4.458,1.495,,,14.34826035,,4.034,,0.349,,,,
*c1sc(*)c(OCCOCCCC)c1C,0.672,,,,,,,,,,,,,
*c1sc(*)c2c1OCC(CCCCCCCCCCCCCCCC)O2,0.506,4.937,2.172,,,15.08786185,,5.683,,0.308,,,,
*c1sc(*)c2sc(CCCCCCCCC)nc12,0.482,5.493,2.793,,,20.17202724,,7.165,,0.283,,,,
*c1sc(-c2cc(CCCCCCCCCC)c(*)s2)cc1CCCCCCCCCC,0.307,,,,,,,,,,,,,
BrC1=C(C=CC(*)=C1)C1=NC2=C(N1)C=CC(=C2)C1=CC2=C(NC(*)=N2)C=C1,0.412,6.792,1.79,,,,,4.936,,0.379,,,,
BrC1=CC(*)=CC=C1CC1=C(Br)C=C(C=C1)N1C(=O)C2=CC=C(C=C2C1=O)C1=CC2=C(C=C1)C(=O)N(*)C2=O,0.203,,,,,,,,,,,,,
BrC1=CC(=CC(Br)=C1O*)C1(C2C=CC=CC2C2C=CC=CC12)C1=CC(Br)=C(OC(=O)C2=CC=CC(=C2)C(*)=O)C(Br)=C1,0.12,,,,,,,,,,,,,
BrC1=CC(=CC(Br)=C1O*)C1(OC(=O)C2=C1C=CC=C2)C1=CC(Br)=C(OC(=O)C2=CC=CC(=C2)C(*)=O)C(Br)=C1,0.149,,,,,,,,,,,,,
BrC1=CC(C*)=CC=C1C*,0.178,,,,,,,,,,,,,
BrC1=CC(C2=NC3=C(N2)C=CC(=C3)C2=CC3=C(NC(*)=N3)C=C2)=C(Br)C=C1*,0.317,7.747,1.901,,,,,5.272,,0.387,,,,
BrC1=CC=C(C=C1)C(*)C*,0.107,,,,,,,,,,,,,
CC(*)(C*)C#N,0.149,,,,,,,,,,,,,
CC(*)(C*)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.089,,,,,,,,,,,,,
CC(*)(C*)C1=CC=CC=C1,0.197,,,,,,,,,,,,,
CC(*)=C(*)C1=CC=CC=C1,0.126,,,,,,,,,,,,,
CC(*)C*,0.23,3.933,1.523,,,,,4.047,,0.329,,,,
CC(=O)OC(*)CC(C*)(C#N)C#N,0.151,,,,,,,,,,,,,
CC(=O)OC1=CC=C(C=C1)C(*)C*,0.206,,,,,,,,,,,,,
CC(=O)OC1=CC=C2C=C(C=CC2=C1C1=C(OC(C)=O)C=CC2=CC(*)=CC=C12)N1C(=O)C2=C(C=C(C=C2)C(=O)C2=CC3=C(C=C2)C(=O)N(*)C3=O)C1=O,0.244,,,,,,,,,,,,,
CC(=O)OC1=CC=C2C=C(C=CC2=C1C1=C(OC(C)=O)C=CC2=CC(*)=CC=C12)N1C(=O)C2=C(C=C(C=C2)C(C2=CC3=C(C=C2)C(=O)N(*)C3=O)(C(F)(F)F)C(F)(F)F)C1=O,0.147,,,,,,,,,,,,,
CC(=O)OC1=CC=C2C=C(C=CC2=C1C1=C(OC(C)=O)C=CC2=CC(*)=CC=C12)N1C(=O)C2=C(C=C(OC3=CC4=C(C=C3)C(=O)N(*)C4=O)C=C2)C1=O,0.209,,,,,,,,,,,,,
CC(=O)OC1OC(O*)C(OC(C)=O)C(O)C1*,0.151,4.538,1.831,,,,,4.842,,0.322,,,,
CC(C)(*)C*,0.198,3.283,1.562,,,,,4.045,,0.295,,,,
CC(C)(C)C1=CC(*)=CC(=C1)C1=NC2=C(N1)C=CC(=C2)C1=CC2=C(NC(*)=N2)C=C1,0.248,,,,,,,,,,,,,
CC(C)(C)C1=CC(=CC(=C1)C(=O)NC1=CC=C(C=C1)C1(C2C=CC=CC2C2C=CC=CC12)C1=CC=C(*)C=C1)C(=O)N*,0.229,,,,,,,,,,,,,
CC(C)(C)C1=CC(=CC(=C1)C(=O)OC1=C(Br)C=C(C=C1Br)C(C)(C)C1=CC(Br)=C(O*)C(Br)=C1)C(*)=O,0.15,,,,,,,,,,,,,
CC(C)(C)C1=CC(=CC(=C1)C(=O)OC1=C(Br)C=C(C=C1Br)C(C1=CC(Br)=C(O*)C(Br)=C1)(C(F)(F)F)C(F)(F)F)C(*)=O,0.109,,,,,,,,,,,,,
CC(C)(C)C1=CC(=CC(=C1)C(=O)OC1=C(Br)C=C(C=C1Br)C1(C2C=CC=CC2C2C=CC=CC12)C1=CC(Br)=C(O*)C(Br)=C1)C(*)=O,0.13,,,,,,,,,,,,,
CC(C)(C)C1=CC(=CC(=C1)C(=O)OC1=C(Br)C=C(C=C1Br)C1(OC(=O)C2=C1C=CC=C2)C1=CC(Br)=C(O*)C(Br)=C1)C(*)=O,0.131,,,,,,,,,,,,,
CC(C)(C)C1=CC(=CC(=C1)C(=O)OC1=C(Br)C=C(C=C1Br)C1(OC(=O)C2C=CC=CC12)C1=CC(Br)=C(O*)C(Br)=C1)C(*)=O,0.116,,,,,,,,,,,,,
CC(C)(C)C1=CC(OC2=CC=C(C=C2)C(=O)C2=CC=C(*)C=C2)=CC=C1O*,0.265,,,,,,,,,,,,,
CC(C)(C)C1=CC2=C(C=C1)C1=C(C=C(C=C1)C(C)(C)C)C2(C1=CC=C(*)C=C1)C1=CC=C(C=C1)N1C(=O)C2=C(C=C(C=C2)C(C2=CC3=C(C=C2)C(=O)N(*)C3=O)(C(F)(F)F)C(F)(F)F)C1=O,0.161,,,,,,,,,,,,,
CC(C)(C)C1=CC=C(C=C1)C(*)=C(*)C1=CC=C(C=C1)S(O)(=O)=O,0.121,,,,,,,,,,,,,
CC(C)(C)C1=CC=C(C=C1)C(*)=C(*)C1=CC=C(O)C=C1,0.097,,,,,,,,,,,,,
CC(C)(C)C1=CC=C(C=C1)C(*)=C(*)C1=CC=CC(O)=C1,0.115,,,,,,,,,,,,,
CC(C)(C)C1=CC=C(C=C1)C(*)=C(*)C1=CC=CC=C1,0.091,,,,,,,,,,,,,
CC(C)(C)C1=CC=C(C=C1)C(*)C*,0.176,,,,,,,,,,,,,
CC(C)(C)C1=CC=C(C=C1)C1=CC=C(C=C1)C(*)=C(*)C1=CC=CC=C1,0.197,,,,,,,,,,,,,
CC(C)(C)C1=CC=C(C=C1)N1C(*)=NC2=C1C=CC(=C2)C1=CC2=C(C=C1)N(C(=N2)C1=CC(=CC(*)=C1)C(C)(C)C)C1=CC=C(C=C1)C(C)(C)C,0.265,,,,,,,,,,,,,
CC(C)(C)C1=CC=C(C=C1)N1C(*)=NC2=C1C=CC(=C2)C1=CC2=C(C=C1)N(C(=N2)C1=CC=CC(*)=C1)C1=CC=C(C=C1)C(C)(C)C,0.259,,,,,,,,,,,,,
CC(C)(C)C1=CC=C(OC2=CC3=C(C=C2C2=C(OC4=CC=C(C=C4)C(C)(C)C)C=C4C(=O)N(C(=O)C4=C2)C2=CC=C(OC4=CC=C(*)C=C4)C=C2)C(=O)N(*)C3=O)C=C1,0.29,,,,,,,,,,,,,
CC(C)(C)OC(=O)C(*)C(*)C(=O)OC1CCCCC1,0.152,,,,,,,,,,,,,
CC(C)(C)OC(=O)C(C)(*)C*,0.133,,,,,,,,,,,,,
CC(C)(C1=CC(Br)=C(*)C(Br)=C1)C1=CC(Br)=C(OC(=O)O*)C(Br)=C1,0.11,,,,,,,,,,,,,
CC(C)(C1=CC(Br)=C(O*)C(Br)=C1)C1=CC(Br)=C(OC(=O)C2=CC=CC(=C2)C(*)=O)C(Br)=C1,0.136,,,,,,,,,,,,,
CC(C)(C1=CC(Cl)=C(*)C(Cl)=C1)C1=CC(Cl)=C(OC(=O)O*)C(Cl)=C1,0.111,,,,,,,,,,,,,
CC(C)(C1=CC2N=C(*)OC2C=C1)C1=CC=C2OC(=NC2=C1)C1=CC=C(C=C1)C(=O)C1=CC=C(*)C=C1,0.23,4.958,1.292,,,,,3.566,,0.38,,,,
CC(C)(C1=CC=C(*)C=C1)C1=CC(=CC=C1)N1C(=O)C2=CC=C(C=C2C1=O)C(C1=CC=C2C(=O)N(*)C(=O)C2=C1)(C(F)(F)F)C(F)(F)F,0.135,,,,,,,,,,,,,
CC(C)(C1=CC=C(*)C=C1)C1=CC(CN)=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(O*)C=C2)C=C1,0.197,,,,,,,,,,,,,
CC(C)(C1=CC=C(*)C=C1)C1=CC(CN2C(=O)C3=C(C=CC=C3)C2=O)=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(O*)C=C2)C=C1,0.178,,,,,,,,,,,,,
CC(C)(C1=CC=C(*)C=C1)C1=CC(N)=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(O*)C=C2)C=C1,0.209,,,,,,,,,,,,,
CC(C)(C1=CC=C(*)C=C1)C1=CC=C(C=C1)C1=NC2=C(N1)C=CC(=C2)C1=CC2=C(NC(*)=N2)C=C1,0.277,,,,,,,,,,,,,
CC(C)(C1=CC=C(*)C=C1)C1=CC=C(C=C1)N1C(=O)C2=C(C=C(C=C2)C(C2=CC3=C(C=C2)C(=O)N(*)C3=O)(C(F)(F)F)C(F)(F)F)C1=O,0.19,,,,,,,,,,,,,
CC(C)(C1=CC=C(*)C=C1)C1=CC=C(C=C1)N1C(=O)C2=C(C=C(C=C2)C(C2=CC=C3C(=O)N(*)C(=O)C3=C2)(C(F)(F)F)C(F)(F)F)C1=O,0.154,,,,,,,,,,,,,
CC(C)(C1=CC=C(*)C=C1)C1=CC=C(C=C1)N1C(=O)C2=C(C=C(OC3=CC=C(OC4=CC=C5C(=O)N(*)C(=O)C5=C4)C=C3)C=C2)C1=O,0.288,,,,,,,,,,,,,
CC(C)(C1=CC=C(*)C=C1)C1=CC=C(C=C1)N1C(=O)C2=CC3=C(C=C2C1=O)C(=O)N(*)C3=O,0.269,,,,,,,,,,,,,
CC(C)(C1=CC=C(*)C=C1)C1=CC=C(OC2=CC=C(C=C2)C(=O)C2=CC=C(C=C2)C2=CC=C(C=C2)C(=O)C2=CC=C(O*)C=C2)C=C1,0.304,,,,,,,,,,,,,
CC(C)(C1=CC=C(*)C=C1)C1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(C=C2)C2=CC=C(C=C2)S(=O)(=O)C2=CC=C(O*)C=C2)C=C1,0.211,,,,,,,,,,,,,
CC(C)(C1=CC=C(*)C=C1)C1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(O*)C=C2)C=C1,0.229,,,,,,,,,,,,,
CC(C)(C1=CC=C(C=C1)C(=O)C1=CC=C(*)C=C1)C1=CC=C(C=C1)C(=O)C1=CC=C(OC2=CC=C(C=C2)C(C2=CC=C(O*)C=C2)(C(F)(F)F)C(F)(F)F)C=C1,0.2,,,,,,,,,,,,,
CC(C)(C1=CC=C(O*)C=C1)C1=CC(=CC=C1)C(C)(C)C1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(*)C=C2)C=C1,0.208,5.186,2.167,,,,,5.706,,0.317,,,,
CC(C)(C1=CC=C(O*)C=C1)C1=CC=C(C=C1)C(C)(C)C1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(*)C=C2)C=C1,0.192,,,,,,,,,,,,,
CC(C)(C1=CC=C(O*)C=C1)C1=CC=C(OC(*)=O)C=C1,0.203,,,,,,,,,,,,,
CC(C)(C1=CC=C(O*)C=C1)C1=CC=C(OC(=O)C2=CC=C(C=C2)C(*)=O)C=C1,0.247,,,,,,,,,,,,,
CC(C)(C1=CC=C(O*)C=C1)C1=CC=C(OC(=O)C2=CC=C(C=C2)C(=O)OC2=CC(C3=CC(*)=CC4=C3C=CC=C4)=C3C=CC=CC3=C2)C=C1,0.262,,,,,,,,,,,,,
CC(C)(C1=CC=C(O*)C=C1)C1=CC=C(OC(=O)C2=CC=CC(=C2)C(*)=O)C=C1,0.242,,,,,,,,,,,,,
CC(C)(C1=CC=C(O*)C=C1)C1=CC=C(OC(=O)C2=CC=CC(=C2)C(=O)OC2=CC(C3=CC(*)=CC4=C3C=CC=C4)=C3C=CC=CC3=C2)C=C1,0.184,,,,,,,,,,,,,
CC(C)(C1=CC=C(O*)C=C1)C1=CC=C(OC2=CC3=C(C=C2)C(=O)N(C3=O)C2=CC=C(C=C2)N2C(=O)C3=C(C=C(*)C=C3)C2=O)C=C1,0.233,,,,,,,,,,,,,
CC(C)(C1=CC=C(O*)C=C1)C1=CC=C(OC2=CC3=C(C=C2)C(=O)N(C3=O)C2=CC=CC(=C2)N2C(=O)C3=C(C=C(*)C=C3)C2=O)C=C1,0.2,,,,,,,,,,,,,
CC(C)(C1=CC=C(O*)C=C1)C1=CC=C(OC2=CC=C(C=C2)C(=O)C2=CC=C(*)C=C2)C=C1,0.286,,,,,,,,,,,,,
CC(C)(C1=CC=C(O*)C=C1)C1=CC=C(OC2=CC=C(C=C2)C(=O)C2=CC=C(C=C2)C(=O)C2=CC=C(*)C=C2)C=C1,0.224,,,,,,,,,,,,,
CC(C)(C1=CC=C(O*)C=C1)C1=CC=C(OC2=CC=C(C=C2)C(=O)C2=CC=C(C=C2)C(C)(C)C2=CC=C(C=C2)C(=O)C2=CC=C(*)C=C2)C=C1,0.256,,,,,,,,,,,,,
CC(C)(C1=CC=C(O*)C=C1)C1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)C2=C3C=CC=CC3=C(*)C=C2)C=C1,0.199,,,,,,,,,,,,,
CC(C)(C1=CC=C(O*)C=C1)C1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(*)C=C2)C=C1,0.214,,,,,,,,,,,,,
CC(C)(C1=CC=C(O*)C=C1)C1=CC=C(OCCC(O)*)C=C1,0.26,,,,,,,,,,,,,
CC(C)(C1=CC=C(OC2=CC3=C(C=C2)C(=O)N(C3=O)C2=CC=C(C=C2)C2=CC(=C(OC3=CC4=C(C=C3)C(C)(C)CC43CC(C)(C)C4=C3C=C(OC3=CC=C(C=C3C(F)(F)F)C3=CC=C(*)C=C3)C=C4)C=C2)C(F)(F)F)C=C1)C1=CC=C(OC2=CC=C3C(=O)N(*)C(=O)C3=C2)C=C1,0.2,,,,,,,,,,,,,
CC(C)(C1=CC=C(OC2=CC3C(C=C2)C(=O)N(*)C3=O)C=C1)C1=CC=C(OC2=CC3=C(C=C2)C(=O)N(C3=O)C2=CC=CC(*)=C2)C=C1,0.195,,,,,,,,,,,,,
CC(C)(C1=CC=C(OC2=CC3C(C=C2)C(=O)N(*)C3=O)C=C1)C1=CC=C(OC2=CC=C3C(=O)N(C(=O)C3=C2)C2=CC=C(C=C2)C2=CC=C(OC3=CC=C(C=C3)C3(C4=C(C=CC=C4)C4=C3C=CC=C4)C3=CC=C(OC4=CC=C(C=C4C(F)(F)F)C4=CC=C(*)C=C4)C=C3)C(=C2)C(F)(F)F)C=C1,0.228,,,,,,,,,,,,,
CC(C)(C1=CC=C(OC2=CC=C(*)C=C2)C=C1)C1=CC=C(OC2=CC=C(C=C2)N2C(=O)C3=CC=C(C=C3C2=O)C(=O)C2=CC3=C(C=C2)C(=O)N(*)C3=O)C=C1,0.268,,,,,,,,,,,,,
CC(C)(C1=CC=C(OC2=CC=C(*)C=C2)C=C1)C1=CC=C(OC2=CC=C(C=C2)N2C(=O)C3=CC=C(C=C3C2=O)C2=CC3=C(C=C2)C(=O)N(*)C3=O)C=C1,0.319,,,,,,,,,,,,,
CC(C)(C1=CC=C(OC2=CC=C(*)C=C2)C=C1)C1=CC=C(OC2=CC=C(C=C2)N2C(=O)C3=CC=C(OC4=CC5=C(C=C4)C(=O)N(*)C5=O)C=C3C2=O)C=C1,0.312,,,,,,,,,,,,,
CC(C)(C1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(*)C=C2)C=C1)C1=CC=CC(O*)=C1,0.194,,,,,,,,,,,,,
CC(C)(C1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(O*)C=C2)C=C1)C1=CC(*)=CC=C1,0.187,,,,,,,,,,,,,
CC(C)(C1=CC=C(OC2=CC=C3C(=O)N(*)C(=O)C3=C2)C=C1)C1=CC=C(OC2=CC=C3C(=O)N(C(=O)C3=C2)C2=CC=C(C=C2)C2=CC(=C(OC3=CC=C(C=C3)C3(N(C(=O)C4=C3C=CC=C4)C3=CC=CC=C3)C3=CC=C(OC4=CC=C(C=C4C(F)(F)F)C4=CC=C(*)C=C4)C=C3)C=C2)C(F)(F)F)C=C1,0.242,,,,,,,,,,,,,
CC(C)C(*)=C(C)*,0.15,2.841,1.316,,,,,3.42,,0.299,,,,
CC(C)C12C3=C(C=CC=C3)C(C(C)C)(C3=C1C=C1OC4=C(OC1=C3)C=C1C(=O)N(*)C(=O)C1=C4)C1=C2C=C2OC3=C(OC2=C1)C=C1C(=O)N(C(=O)C1=C3)C1=C(C)C2=C(C=C1C)C1C3=C(C=CC=C3)C2C2=C1C=C(C)C(*)=C2C,0.205,3.264,2.209,,,,,5.407,,0.224,,,,
CC(C)C12C3=CC4=C(C=C3C(C(C)C)(C3=C1C=CC=C3)C1=C2C=C2C(=O)N(C(=O)C2=C1)C1=C2C=CC=CC2=C(C=C1C)C1=CC(C)=C(*)C2=C1C=CC=C2)C(=O)N(*)C4=O,0.144,,,,,,,,,,,,,
CC(C)C1=C(O*)C=CC(=C1)C(C1C=CC=CC1C(O)=O)C1=CC(C(C)C)=C(OC2=CC=C(C=C2)C(=O)C2=CC=C(*)C=C2)C=C1,0.192,,,,,,,,,,,,,
CC(C)C1=CC(=C(C)C=C1O*)C1(OC(=O)C2=C1C=CC=C2)C1=CC(C(C)C)=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(*)C=C2)C=C1C,0.174,,,,,,,,,,,,,
CC(C)C1=CC(=C(C)C=C1O*)C1(OC(=O)C2C=CC=CC12)C1=C(C)C=C(OC2=CC=C(C=C2)C(=O)C2=CC=C(*)C=C2)C(=C1)C(C)C,0.198,3.319,1.99,,,,,4.976,,0.25,,,,
CC(C)C1=CC(C(C2=CC(C(C)C)=C(OC3=CC=C(C=C3)S(=O)(=O)C3=CC=C(*)C=C3)C=C2C)C2=C(C=CC=C2)C(O)=O)=C(C)C=C1O*,0.179,,,,,,,,,,,,,
CC(C)C1=CC=C(C=C1)C(*)=C(*)C1=CC=CC=C1,0.113,,,,,,,,,,,,,
CC(C)CC(*)=C(C)*,0.172,2.164,1.544,,,,,3.742,,0.212,,,,
CC(C)CC(*)C*,0.188,3.208,1.331,,,,,3.508,,0.318,,,,
CC(C)CC(C)OC(=O)C(*)C(*)C(=O)OC(C)(C)C,0.168,2.082,1.15,,,,,2.914,,0.267,,,,
CC(C)CC(C)OC(=O)C(*)C(*)C(=O)OC(C)C,0.146,2.477,1.472,,,,,3.686,,0.252,,,,
CC(C)CCC(*)=C(C)*,0.199,2.425,1.155,,,,,2.99,,0.294,,,,
CC(C)OC(=O)C(*)C(*)C(=O)OC(C)(C)C,0.142,2.333,1.053,,,,,2.746,,0.304,,,,
CC(C)OC(=O)C(*)C(*)C(=O)OC1CCCCC1,0.165,,,,,,,,,,,,,
CC(C*)C(=O)OC(C)C(*)=O,0.191,4.266,1.57,,,,,4.195,,0.336,,,,
CC(C*)C(=O)OCCOC(=O)C(C)C*,0.191,,,,,,,,,,,,,
CC(C*)O*,0.199,3.547,1.408,,,,,3.73,,0.325,,,,
CC(C1=CC=CC=C1)(C1=CC=C(*)C=C1)C1=CC=C(OC(=O)O*)C=C1,0.249,,,,,,,,,,,,,
CC(C1=CC=CC=C1)(C1=CC=C(O*)C=C1)C1=CC=C(OC(=O)C2=CC=CC(=C2)C(*)=O)C=C1,0.235,,,,,,,,,,,,,
CC(C1=CC=CC=C1)(C1=CC=C(O*)C=C1)C1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(*)C=C2)C=C1,0.185,,,,,,,,,,,,,
CC1(C)C2=CC(=CC=C2C2=C1C=C(Br)C=C2)C(*)=C(*)C1=CC=CC=C1,0.058,,,,,,,,,,,,,
CC1(C)C2=CC(=CC=C2C2=C1C=CC=C2)C(*)=C(*)C1=CC=CC=C1,0.079,,,,,,,,,,,,,
CC1(C)C2=CC=C(C=C2C(C)(C)C1(C)C)C(*)=C(*)C1=CC=CC=C1,0.117,2.782,1.72,,,,,4.278,,0.244,,,,
CC1(C)CC(C)(C)C2=CC(=CC=C12)C(*)=C(*)C1=CC(F)=C(F)C=C1,0.098,,,,,,,,,,,,,
CC1(C)CC(C)(C)C2=CC(=CC=C12)C(*)=C(*)C1=CC(F)=CC(F)=C1,0.093,,,,,,,,,,,,,
CC1(C)CC(C)(C)C2=CC(=CC=C12)C(*)=C(*)C1=CC(F)=CC=C1,0.095,,,,,,,,,,,,,
CC1(C)CC(C)(C)C2=CC(=CC=C12)C(*)=C(*)C1=CC=C(Br)C=C1,0.054,,,,,,,,,,,,,
CC1(C)CC(C)(C)C2=CC(=CC=C12)C(*)=C(*)C1=CC=C(Cl)C=C1,0.092,,,,,,,,,,,,,
CC1(C)CC(C)(C)C2=CC(=CC=C12)C(*)=C(*)C1=CC=C(F)C=C1,0.111,,,,,,,,,,,,,
CC1(C)CC(C)(C)C2=CC(=CC=C12)C(*)=C(*)C1=CC=CC=C1,0.1,3.203,1.919,,,,,4.799,,0.25,,,,
CC1(C)CC(C)(C2=C1C=C(Br)C(*)=C2)C1=CC=C(C=C1)N1C(=O)C2=CC=C(C=C2C1=O)C(=O)C1=CC2C(C=C1)C(=O)N(*)C2=O,0.16,3.369,2.077,,,,,5.169,,0.244,,,,
CC1(C)CC(C)(C2=C1C=CC(OC1=CC=C(C=C1C(F)(F)F)C1=CC=C(*)C=C1)=C2)C1=CC=C(OC2=CC=C(C=C2C(F)(F)F)C2=CC=C(C=C2)N2C(=O)C3=C(C=C4C(=O)N(*)C(=O)C4=C3)C2=O)C=C1,0.305,,,,,,,,,,,,,
CC1(C)CC(C)(C2=CC(=CC=C12)N1C(=O)C2=CC=C(C=C2C1=O)C(=O)C1=CC2=C(C=C1)C(=O)N(*)C2=O)C1=CC=C(*)C=C1,0.219,4.307,2.269,,,,,5.79,,0.276,,,,
CC1(C)CC(C)(C2C=C(*)C=CC12)C1=CC=C(C=C1)C1=NN=C(*)O1,0.209,4.043,2.151,,,,,5.481,,0.274,,,,
CC1(C)CC(CC(C)(C*)C1)N1C(=O)C2=CC=C(C=C2C1=O)C1=CC2=C(C=C1)C(=O)N(*)C2=O,,4.609,2.061,,,19.4044041,1.073641694,5.381,,0.305,,,,
CC1(C)CC2(CC(C)(C)C3=C2C=C(O)C(=C3)N2C(=O)C3C(C2=O)C2(Br)C4C(C(=O)N(*)C4=O)C3(Br)C(Br)=C2Br)C2=C1C=C(*)C(O)=C2,0.107,,,,,,,,,,,,,
CC1(C)CC2(CC(C)(C)C3=C2C=C(O)C(=C3)N2C(=O)C3C=CC(=CC3C2=O)C(C2=CC=C3C(=O)N(*)C(=O)C3=C2)(C(F)(F)F)C(F)(F)F)C2=C1C=C(*)C(O)=C2,0.134,3.019,2.243,,,,,5.393,,0.202,,,,
CC1(C)CC2(CC(C)(C)C3=C2C=C(O*)C=C3)C2C=C(OC3=CC=C4C(=O)N(C(=O)C4=C3)C3=CC=CC(=C3)N3C(=O)C4=C(C=C(*)C=C4)C3=O)C=CC12,0.191,,,,,,,,,,,,,
CC1(C)CC2(CC(C)(C)C3=C2C=C(OC(=O)C2=CC=C(C=C2)C(*)=O)C=C3)C2=C1C=CC(O*)=C2,0.189,,,,,,,,,,,,,
CC1(C)CC2(CC(C)(C)C3=C2C=C(OC(=O)C2=CC=CC(=C2)C(*)=O)C=C3)C2=C1C=CC(O*)=C2,0.189,,,,,,,,,,,,,
CC1(C)CC2(CC(C)(C)C3=C2C=C(OC2=C(C=C(C=C2)C2=CC=C(C=C2)N2C(=O)C4=C(C=C(C=C4)C(C4=CC=C5C(=O)N(*)C(=O)C5=C4)(C(F)(F)F)C(F)(F)F)C2=O)C(F)(F)F)C=C3)C2=C1C=CC(OC1=CC=C(C=C1C(F)(F)F)C1=CC=C(*)C=C1)=C2,0.147,,,,,,,,,,,,,
CC1(C)CC2(CC(C)(C)C3=C2C=C(OC2=C(C=C(C=C2)C2=CC=C(C=C2)N2C(=O)C4=C(C=C(OC5=CC=C6C(=O)N(*)C(=O)C6=C5)C=C4)C2=O)C(F)(F)F)C=C3)C2=C1C=CC(OC1=CC=C(C=C1C(F)(F)F)C1=CC=C(*)C=C1)=C2,0.247,,,,,,,,,,,,,
CC1(C)CC2(CC(C)(C)C3=C2C=C(OC2=CC4=C(C=C2)C(=O)N(C4=O)C2=CC=CC(=C2)N2C(=O)C4=C(C=C(*)C=C4)C2=O)C=C3)C2=C1C=CC(O*)=C2,0.171,,,,,,,,,,,,,
CC1(C)CC2(CC(C)(C)C3=C2C=C2C(=O)N(C(=O)C2=C3)C2=CC3=C(C=C2)C(C)(C)CC32CC(C)(C)C3=C2C=C(*)C=C3)C2=CC3=C(C=C12)C(=O)N(*)C3=O,0.166,3.124,1.604,,,,,4.109,,0.281,,,,
CC1(C)CC2(CC(C)(C)C3=C2C=C2OC4=C(OC2=C3)C=C2C(=O)N(C(=O)C2=C4)C2=CC(=C(C=C2)C2=CC=C(*)C=C2C(F)(F)F)C(F)(F)F)C2=C1C=C1OC3=C(OC1=C2)C=C1C(=O)N(*)C(=O)C1=C3,,1.167,0.906,,,,,2.159,,0.192,,,,
CC1(C)CC2(CC(C)(C)C3=C2C=C2OC4=C(OC2=C3)C=C2C(=O)N(C(=O)C2=C4)C2=CC(=C(C=C2)C2=CC=C(*)C=C2C(F)(F)F)C(F)(F)F)C2=CC3=C(OC4=CC5=C(C=C4O3)C(=O)N(*)C5=O)C=C12,0.215,1.602,1.309,,,,,3.086,,0.179,,,,
CC1(C)CC2(CC(C)(C)C3=C2C=C2OC4=C(OC2=C3)C=C2C(=O)N(C(=O)C2=C4)C2=CC=C(C=C2)C(C2=CC=C(*)C=C2)(C(F)(F)F)C(F)(F)F)C2=CC3=C(OC4=CC5=C(C=C4O3)C(=O)N(*)C5=O)C=C12,0.169,,,,,,,,,,,,,
CC1(C)CC2(CC(C)(C)C3=C2C=C2OC4=C(OC2=C3)C=C2C(=O)N(C(=O)C2=C4)C2=CC=CC3=C2C=CC=C3*)C2=C1C=C1OC3=C(OC1=C2)C=C1C(=O)N(*)C(=O)C1=C3,0.176,1.34,0.963,,,,,2.331,,0.21,,,,
CC1(C)CC2(CC(C)(C)C3=C2C=C2OC4=C(OC2=C3)C=C2C(=O)N(C(=O)C2=C4)C2=CC=CC3=C2C=CC=C3*)C2=CC3=C(OC4=CC5=C(C=C4O3)C(=O)N(*)C5=O)C=C12,0.176,1.503,1.246,,,,,2.929,,0.175,,,,
CC1(C)CC2(CC(C)(C)C3=CC=C(OC(=O)O*)C=C23)C2C=C(*)C=CC12,0.161,2.646,1.93,,,,,4.658,,0.207,,,,
CC1(C)CCC(C)(C)C2=CC(=CC=C12)C(*)=C(*)C1=CC=CC=C1,0.1,,,,,,,,,,,,,
CC1=C(*)C(C)=C(N2C(=O)C3=CC=C(C=C3C2=O)C(C2=CC3=C(C=C2)C(=O)N(*)C3=O)(C(F)(F)F)C(F)(F)F)C2=C1CCC2(C)C,0.105,,,,,,,,,,,,,
CC1=C(*)C(C)=C(N2C(=O)C3=CC=C(C=C3C2=O)C2=CC3=C(C=C2)C(=O)N(*)C3=O)C2=C1CCC2(C)C,0.222,,,,,,,,,,,,,
CC1=C(*)C(C)=C(N2C(=O)C3=CC=C(OC4=CC5=C(C=C4)C(=O)N(*)C5=O)C=C3C2=O)C2=C1CCC2(C)C,0.193,,,,,,,,,,,,,
CC1=C(*)C=C(C=C1)C(C1=CC(N2C(=O)C3=CC4=C(OC5=CC6=C(C=C5O4)C(C)(C)CC64CC(C)(C)C5=C4C=C4OC6=C(OC4=C5)C=C4C(=O)N(*)C(=O)C4=C6)C=C3C2=O)=C(C)C=C1)(C(F)(F)F)C(F)(F)F,0.152,,,,,,,,,,,,,
CC1=C(*)C=C(C=C1)C(C1=CC(N2C(=O)C3=CC4=C(OC5=CC6=C(C=C5O4)C(C)(C)CC64CC(C)(C)C5=CC6=C(OC7=CC8=C(C=C7O6)C(=O)N(*)C8=O)C=C45)C=C3C2=O)=C(C)C=C1)(C(F)(F)F)C(F)(F)F,0.153,,,,,,,,,,,,,
CC1=C(*)C=CC2=C1N1CN(C2)C2=C(C)C(=CC=C2C1)N1C(=O)C2=C(C=C(C=C2)C(C2=CC3=C(C=C2)C(=O)N(*)C3=O)(C(F)(F)F)C(F)(F)F)C1=O,0.165,,,,,,,,,,,,,
CC1=C(C)C(N2C(=O)C3=C(C=C(C=C3)C(=O)C3=CC=C4C(=O)N(*)C(=O)C4=C3)C2=O)=C(C)C(C)=C1*,0.276,,,,,,,,,,,,,
CC1=C(C)C(N2C(=O)C3=C(C=C(C=C3)C(C3=CC=C4C(=O)N(*)C(=O)C4=C3)(C(F)(F)F)C(F)(F)F)C2=O)=C(C)C(C)=C1*,0.159,2.683,2.288,,,,,5.345,,0.168,,,,
CC1=C(C)C(N2C(=O)C3=C(C=C(OC4=C(OC5=CC=C6C(=O)N(*)C(=O)C6=C5)C=CC(=C4)C(C)(C)C)C=C3)C2=O)=C(C)C(*)=C1,0.168,,,,,,,,,,,,,
CC1=C(C)C(N2C(=O)C3=C(C=C(OC4=C(OC5=CC=C6C(=O)N(*)C(=O)C6=C5)C=CC(=C4)C(C)(C)C)C=C3)C2=O)=C(C)C(C)=C1*,0.159,,,,,,,,,,,,,
CC1=C(C)C(N2C(=O)C3=C(C=C(OC4=CC(C)=C(OC5=CC=C6C(=O)N(*)C(=O)C6=C5)C(C)=C4C)C=C3)C2=O)=C(C)C(*)=C1,0.198,4.962,2.533,,,,,6.494,,0.282,,,,
CC1=C(C)C(N2C(=O)C3=CC4=C(C=C3C2=O)C2(CC(C)(C)C3=CC5=C(C=C23)C(=O)N(*)C5=O)CC4(C)C)=C(C)C(C)=C1*,0.153,2.259,1.574,,,,,3.832,,0.217,,,,
CC1=C(C)C(N2C(=O)C3=CC4=C(OC5=CC6=C(C=C5O4)C(C)(C)CC64CC(C)(C)C5=CC6=C(OC7=CC8=C(C=C7O6)C(=O)N(*)C8=O)C=C45)C=C3C2=O)=C(C)C(C)=C1*,0.231,1.31,1.041,,,,,2.469,,0.186,,,,
CC1=C(C)C(N2C(=O)C3=CC=C(C=C3C2=O)C(C2=CC3=C(C=C2)C(=O)N(*)C3=O)(C(F)(F)F)C(F)(F)F)=C(C)C(C)=C1*,0.167,,,,,,,,,,,,,
CC1=C(C)C(N2C(=O)C3=CC=C(C=C3C2=O)C(C2=CC3C(C=C2)C(=O)N(*)C3=O)(C(F)(F)F)C(F)(F)F)=C(C)C(C)=C1*,0.142,1.864,2.227,,,,,4.778,,0.073,,,,
CC1=C(O*)C(Br)=CC(=C1)C(C)(C)C1=CC(C)=C(OC(=O)C2=CC(=CC(=C2)C(*)=O)C(C)(C)C)C(Br)=C1,0.165,,,,,,,,,,,,,
CC1=C(O*)C(Br)=CC(=C1)C1(C2C=CC=CC2C2C=CC=CC12)C1=CC(C)=C(OC(=O)C2=CC(=CC(=C2)C(*)=O)C(C)(C)C)C(Br)=C1,0.139,,,,,,,,,,,,,
CC1=C(O*)C=CC(=C1)C(C)(C)C1=CC(C)=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(*)C=C2)C=C1,0.191,,,,,,,,,,,,,
CC1=C(OC2=CC=C3C(=O)N(*)C(=O)C3=C2)C(C)=C(C)C(OC2=CC3=C(C=C2)C(=O)N(C3=O)C2=C(C)C(C)=C(*)C(C)=C2C)=C1,0.176,,,,,,,,,,,,,
CC1=C(OC2=CC=C3C(=O)N(*)C(=O)C3=C2)C(C)=C(C)C(OC2=CC3=C(C=C2)C(=O)N(C3=O)C2=CC=C(C=C2)C(C2=CC=C(*)C=C2)(C(F)(F)F)C(F)(F)F)=C1,0.179,,,,,,,,,,,,,
CC1=C2C(=CC(*)=C1)S(=O)(=O)C1=CC(=CC(C)=C21)N1C(=O)C2=CC=C(C=C2C1=O)C1=CC=C2C(=O)N(*)C(=O)C2=C1,0.348,,,,,,,,,,,,,
CC1=CC(*)=C(C(=O)C2=CC=C(Br)C=C2)C(C)=C1O*,0.153,,,,,,,,,,,,,
CC1=CC(*)=C(C(=O)C2=CC=C(Cl)C=C2)C(C)=C1O*,0.132,,,,,,,,,,,,,
CC1=CC(*)=C(C(=O)C2=CC=CC=C2)C(C)=C1O*,0.18,,,,,,,,,,,,,
CC1=CC(*)=C(C)C=C1N1C(=O)C2=CC=C(C=C2C1=O)C(C1=CC2C(C=C1)C(=O)N(*)C2=O)(C(F)(F)F)C(F)(F)F,0.136,,,,,,,,,,,,,
CC1=CC(*)=CC(C)=C1N1C(=O)C2=CC=C(C=C2C1=O)C(C1=CC2=C(C=C1)C(=O)N(*)C2=O)(C(F)(F)F)C(F)(F)F,0.136,,,,,,,,,,,,,
CC1=CC(*)=CC(C)=C1O*,0.25,,,,,,,,,,,,,
CC1=CC(*)=CC=C1OC1=C(C2=C(C=CC=C2)C=C1)C1=C(OC2=C(C)C=C(C=C2)N2C(=O)C3=C(C=C(C=C3)C(C3=CC4=C(C=C3)C(=O)N(*)C4=O)(C(F)(F)F)C(F)(F)F)C2=O)C=CC2=C1C=CC=C2,0.158,,,,,,,,,,,,,
CC1=CC(=C(C)C(C)=C1*)C1=C(C)C(C)=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(O*)C=C2)C(C)=C1,0.144,,,,,,,,,,,,,
CC1=CC(=C(C)C(C)=C1OC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(*)C=C1)C1=CC(C)=C(O*)C(C)=C1C,0.175,,,,,,,,,,,,,
CC1=CC(=C(C)C=C1C1=C(C)C(*)=CC=C1)C1=C(C)C(*)=CC=C1,0.252,,,,,,,,,,,,,
CC1=CC(=C(C)C=C1C1=C(C)C=C(*)C=C1)C1=C(C)C=C(*)C=C1,0.602,,,,,,,,,,,,,
CC1=CC(=C(C)C=C1C1=C(C)C=CC(*)=C1)C1=C(C)C=CC(*)=C1,0.232,,,,,,,,,,,,,
CC1=CC(=C(C)C=C1C1=CC(C)=C(*)C=C1)C1=CC(C)=C(*)C=C1,0.777,,,,,,,,,,,,,
CC1=CC(=C(C)C=C1O*)C1(OC(=O)C2=C1C=CC=C2)C1=CC(C)=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(*)C=C2)C=C1C,0.169,,,,,,,,,,,,,
CC1=CC(=C(C)C=C1O*)C1(OC(=O)C2C=CC=CC12)C1=C(C)C=C(OC2=CC=C(C=C2)C(=O)C2=CC=C(*)C=C2)C(C)=C1,0.236,,,,,,,,,,,,,
CC1=CC(=C2C=CC=CC2=C1*)C1=C2C=CC=CC2=C(N2C(=O)C3=C(C=C4C(=C3)C3(C)CCC4(C)C4=C3C=C3C(=O)N(*)C(=O)C3=C4)C2=O)C(C)=C1,0.152,,,,,,,,,,,,,
CC1=CC(=C2C=CC=CC2=C1*)C1=C2C=CC=CC2=C(N2C(=O)C3=CC4=C(OC5=C(O4)C=C4C(=C5)C5(C)CCC4(C)C4=C5C=C5OC6=C(OC5=C4)C=C4C(=O)N(*)C(=O)C4=C6)C=C3C2=O)C(C)=C1,0.134,3.023,2.385,,,,,5.665,,0.188,,,,
CC1=CC(=CC(C)=C1)C1=CC(O*)=CC=C1OC1=CC=C(C=C1)C(=O)C1=CC=C(*)C=C1,0.223,,,,,,,,,,,,,
CC1=CC(=CC(C)=C1)C1=CC(O*)=CC=C1OC1=CC=CC(*)=C1C#N,0.226,,,,,,,,,,,,,
CC1=CC(=CC(C)=C1*)C(C)(C)C1=CC(C)=C(OC(=O)O*)C(C)=C1,0.174,,,,,,,,,,,,,
CC1=CC(=CC(C)=C1*)C(C)(C)C1=CC(C)=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(O*)C=C2)C(C)=C1,0.209,,,,,,,,,,,,,
CC1=CC(=CC(C)=C1*)C(C1=CC(C)=C(OC2=CC(=C(C=C2)S(=O)(=O)C2=CC=C(O*)C=C2C(O)(C(F)(F)F)C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(C)=C1)(C(F)(F)F)C(F)(F)F,0.109,,,,,,,,,,,,,
CC1=CC(=CC(C)=C1*)C(C1=CC(C)=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(O*)C=C2)C(C)=C1)(C(F)(F)F)C(F)(F)F,0.16,,,,,,,,,,,,,
CC1=CC(=CC(C)=C1*)C1=CC(C)=C(C=C1C)C1=CC(C)=C(*)C(C)=C1,0.252,8.851,4.275,,,,,11.047,,0.292,,,,
CC1=CC(=CC(C)=C1*)C1=CC(C)=C(C=C1C)C1=CC(C)=C(N2C(=O)C3=C(C=C(C=C3)C(C)(C)C3=CC4C(C=C3)C(=O)N(*)C4=O)C2=O)C(C)=C1,0.212,,,,,,,,,,,,,
CC1=CC(=CC(C)=C1*)C1=CC(C)=C(N2C(=O)C3=C(C=C(OC4=CC(=C(OC5=CC=C6C(=O)N(*)C(=O)C6=C5)C=C4C(C)(C)C)C(C)(C)C)C=C3)C2=O)C(C)=C1,0.198,,,,,,,,,,,,,
CC1=CC(=CC(C)=C1*)C1=CC(C)=C(N2C(=O)C3=C(C=C(OC4=CC(C)=C(OC5=CC=C6C(=O)N(*)C(=O)C6=C5)C(C)=C4C)C=C3)C2=O)C(C)=C1,0.21,,,,,,,,,,,,,
CC1=CC(=CC(C)=C1*)C1=CC(C)=C(N2C(=O)C3=CC4=C(C=C3C2=O)S(=O)(=O)C2=CC3=C(C=C2S4(=O)=O)C(=O)N(*)C3=O)C(C)=C1,0.296,5.458,2.616,,,,,6.767,,0.293,,,,
CC1=CC(=CC(C)=C1*)C1=CC(C)=C(N2C(=O)C3=CC=C(C=C3C2=O)C(=O)OC2=CC=C(C=C2)C(C2=CC=C(OC(=O)C3=CC4=C(C=C3)C(=O)N(*)C4=O)C=C2)(C(F)(F)F)C(F)(F)F)C(C)=C1,0.199,,,,,,,,,,,,,
CC1=CC(=CC(C)=C1*)C1=CC(C)=C(OC2=CC=C(C=C2)C(=O)C2=CC=C(O*)C=C2)C(C)=C1,0.262,,,,,,,,,,,,,
CC1=CC(=CC(C)=C1*)C1=CC(C)=C(OC2=CC=C(C=C2)C(=O)C2=CC=CC=C2C2=C(C=CC=C2)C(=O)C2=CC=C(O*)C=C2)C(C)=C1,0.211,,,,,,,,,,,,,
CC1=CC(=CC(C)=C1*)C1=CC(C)=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(O*)C=C2)C(C)=C1,0.209,,,,,,,,,,,,,
CC1=CC(=CC(C)=C1O*)C(C)(C)C1=CC(=CC=C1)C(C)(C)C1=CC(C)=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(*)C=C2)C(C)=C1,0.188,,,,,,,,,,,,,
CC1=CC(=CC(C)=C1O*)C(C)(C)C1=CC(C)=C(OC(*)=O)C(C)=C1,0.205,,,,,,,,,,,,,
CC1=CC(=CC(C)=C1O*)C(C)(C)C1=CC(C)=C(OC(=O)C2=CC(=CC(=C2)C(*)=O)C(C)(C)C)C(C)=C1,0.199,3.311,2.611,,,,,6.203,,0.188,,,,
CC1=CC(=CC(C)=C1O*)C(C)(C)C1=CC(C)=C(OC2=CC=C(C=C2)C(=O)C2=CC=C(*)C=C2)C(C)=C1,0.202,,,,,,,,,,,,,
CC1=CC(=CC(C)=C1O*)C(C)(C)C1=CC(C)=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(*)C=C2)C(C)=C1,0.198,,,,,,,,,,,,,
CC1=CC(=CC(C)=C1O*)C(C)(C)C1=CC=C(C=C1)C(C)(C)C1=CC(C)=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(*)C=C2)C(C)=C1,0.166,,,,,,,,,,,,,
CC1=CC(=CC(C)=C1O*)C(C1=CC(C)=C(OC(*)=O)C(C)=C1)(C(F)(F)F)C(F)(F)F,0.122,2.547,2.686,,,,,5.962,,0.11,,,,
CC1=CC(=CC(C)=C1O*)C(C1=CC(C)=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(*)C=C2)C(C)=C1)(C(F)(F)F)C(F)(F)F,0.118,,,,,,,,,,,,,
CC1=CC(=CC(C)=C1O*)C1(C2C=CC=CC2C2C=CC=CC12)C1=CC(C)=C(OC(=O)C2=CC(=CC(=C2)C(*)=O)C(C)(C)C)C(C)=C1,0.158,,,,,,,,,,,,,
CC1=CC(=CC(C)=C1O*)C1=CC(C)=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(*)C=C2)C(C)=C1,0.201,,,,,,,,,,,,,
CC1=CC(=CC(OC2=CC3=C(C=C2)C(=O)N(C3=O)C2=C(C)C(C)=C(*)C(C)=C2C)=C1OC1=CC=C2C(=O)N(*)C(=O)C2=C1)C(C)(C)C,0.151,,,,,,,,,,,,,
CC1=CC(=CC=C1)C(=O)OC(*)C*,0.189,,,,,,,,,,,,,
CC1=CC(=CC=C1)C1=CC(O*)=CC=C1OC1=CC=C(C=C1)C(=O)C1=CC=C(*)C=C1,0.253,,,,,,,,,,,,,
CC1=CC(=CC=C1)C1=CC(O*)=CC=C1OC1=CC=CC(*)=C1C#N,0.23,,,,,,,,,,,,,
CC1=CC(=CC=C1*)C(C)(C)C1=CC(C)=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(O*)C=C2)C=C1,0.215,,,,,,,,,,,,,
CC1=CC(=CC=C1*)C1(CCCCC1)C1=CC(C)=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(O*)C=C2)C=C1,0.188,,,,,,,,,,,,,
CC1=CC(=CC=C1O*)C1(OC(=O)C2=C1C=CC=C2)C1=CC(C)=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(*)C=C2)C=C1,0.198,,,,,,,,,,,,,
CC1=CC(=CC=C1O*)C1(OC(=O)C2C=CC=CC12)C1=CC=C(OC2=CC=C(C=C2)C(=O)C2=CC=C(*)C=C2)C(C)=C1,0.214,,,,,,,,,,,,,
CC1=CC(C)=C(*)C(C)=C1N1C(=O)C2=CC=C(C=C2C1=O)C(C1=CC2C(C=C1)C(=O)N(*)C2=O)(C(F)(F)F)C(F)(F)F,0.085,,,,,,,,,,,,,
CC1=CC(C)=C(*)C(C)=C1N1C(=O)C2=CC=C(C=C2C1=O)C1=CC2=C(C=C1)C(=O)N(*)C2=O,0.2,,,,,,,,,,,,,
CC1=CC(C)=C(N2C(=O)C3=C(C=C(C=C3)C(=O)C3=CC=C4C(=O)N(*)C(=O)C4=C3)C2=O)C(C)=C1*,0.151,,,,,,,,,,,,,
CC1=CC(C)=C(N2C(=O)C3=C(C=C(C=C3)C(C3=CC4=C(C=C3)C(=O)N(*)C4=O)(C(F)(F)F)C(F)(F)F)C2=O)C(C)=C1*,0.132,3.469,2.697,,,,,6.426,,0.191,,,,
CC1=CC(C)=C(N2C(=O)C3=C(C=C(C=C3)C(C3=CC=C4C(=O)N(*)C(=O)C4=C3)(C(F)(F)F)C(F)(F)F)C2=O)C(C)=C1*,0.132,,,,,,,,,,,,,
CC1=CC(C)=C(N2C(=O)C3=C(C=C(C=C3)S(=O)(=O)C3=CC=C4C(=O)N(*)C(=O)C4=C3)C2=O)C(C)=C1*,0.162,,,,,,,,,,,,,
CC1=CC(C)=C(N2C(=O)C3=C(C=C(OC4=CC=C(OC5=CC=C6C(=O)N(*)C(=O)C6=C5)C=C4)C=C3)C2=O)C(C)=C1*,0.164,,,,,,,,,,,,,
CC1=CC(C)=C(N2C(=O)C3=C(C=C(SC4=CC=C5C(=O)N(*)C(=O)C5=C4)C=C3)C2=O)C(C)=C1*,0.188,,,,,,,,,,,,,
CC1=CC(C)=C(N2C(=O)C3=C(C=C4C(=O)N(*)C(=O)C4=C3)C2=O)C(C)=C1*,0.232,3.639,1.17,,,,,3.17,,0.355,,,,
CC1=CC(C)=C(N2C(=O)C3=CC=C(C=C3C2=O)C(=O)C2=CC3C(C=C2)C(=O)N(*)C3=O)C(C)=C1*,0.149,,,,,,,,,,,,,
CC1=CC(C)=C(N2C(=O)C3=CC=C(C=C3C2=O)C(C2=CC=C3C(=O)N(*)C(=O)C3=C2)(C(F)(F)F)C(F)(F)F)C(C)=C1*,0.115,,,,,,,,,,,,,
CC1=CC(C)=C(N2C(=O)C3=CC=C(C=C3C2=O)C2=CC3C(C=C2)C(=O)N(*)C3=O)C(C)=C1*,0.178,,,,,,,,,,,,,
CC1=CC(C*)=CC=C1C*,0.309,,,,,,,,,,,,,
CC1=CC(C2=CC(C)=C(*)C3=C2C=CC=C3)=C2C=CC=CC2=C1N1C(=O)C2=C(C=C(C=C2)C(C)(C)C2=CC3C(C=C2)C(=O)N(*)C3=O)C1=O,0.21,,,,,,,,,,,,,
CC1=CC(C2=CC(C)=C(*)C3=C2C=CC=C3)=C2C=CC=CC2=C1N1C(=O)C2=CC3=C(C=C2C1=O)C1(C)C2=CC4=C(C=C2C3(C)C2=C1C=CC=C2)C(=O)N(*)C4=O,0.188,1.558,2.167,,,,,4.442,,0.025,,,,
CC1=CC(C2=CC(C)=C(*)C3=C2C=CC=C3)=C2C=CC=CC2=C1N1C(=O)C2=CC3=C(C=C2C1=O)C1(CC(C)(C)C2=CC4=C(C=C12)C(=O)N(*)C4=O)CC3(C)C,0.112,,,,,,,,,,,,,
CC1=CC(C2=CC(C)=C(*)C3=C2C=CC=C3)=C2C=CC=CC2=C1N1C(=O)C2=CC3=C(OC4=CC5=C(C=C4O3)C(C)(C)CC53CC(C)(C)C4=CC5=C(OC6=CC7=C(C=C6O5)C(=O)N(*)C7=O)C=C34)C=C2C1=O,0.185,,,,,,,,,,,,,
CC1=CC(C2=CC(C)=C(N3C(=O)C4=CC5=C(C=C4C3=O)C3(C)CCC5(C)C4=CC5=C(C=C34)C(=O)N(*)C5=O)C3=C2C=CC=C3)=C2C=CC=CC2=C1*,0.179,,,,,,,,,,,,,
CC1=CC(CC2=CC(C)=C(C=C2)N2C(=O)C3=CC=C(C=C3C2=O)C(C2=CC3=C(C=C2)C(=O)N(*)C3=O)(C(F)(F)F)C(F)(F)F)=CC=C1*,0.152,,,,,,,,,,,,,
CC1=CC(CC2=CC(C)=C(C=C2)N2C(=O)C3=CC=C(C=C3C2=O)C2=CC3=C(C=C2)C(=O)N(*)C3=O)=CC=C1*,0.251,,,,,,,,,,,,,
CC1=CC(CC2=CC(C)=C(N3C(=O)C4=CC5=C(C=C4C3=O)C(=O)N(*)C5=O)C(C)=C2)=CC(C)=C1*,0.289,,,,,,,,,,,,,
CC1=CC(CC2=CC(C)=C(N3C(=O)C4=CC=C(C=C4C3=O)C(C3=CC4=C(C=C3)C(=O)N(*)C4=O)(C(F)(F)F)C(F)(F)F)C(C)=C2)=CC(C)=C1*,0.135,,,,,,,,,,,,,
CC1=CC(CC2=CC(C)=C(N3C(=O)C4=CC=C(C=C4C3=O)C3=CC4=C(C=C3)C(=O)N(*)C4=O)C(C)=C2)=CC(C)=C1*,0.189,,,,,,,,,,,,,
CC1=CC(CC2=CC(C)=C(OC3=CC=C(C=C3)S(=O)(=O)C3=CC=C(O*)C=C3)C(C)=C2)=CC(C)=C1*,0.174,,,,,,,,,,,,,
CC1=CC(OC2=CC3=C(C=C2)C(=O)N(C3=O)C2=C(C)C(*)=CC(C)=C2C)=C(OC2=CC=C3C(=O)N(*)C(=O)C3=C2)C=C1,0.174,,,,,,,,,,,,,
CC1=CC(OC2=CC3=C(C=C2)C(=O)N(C3=O)C2=C(C)C(C)=C(*)C(C)=C2C)=C(OC2=CC=C3C(=O)N(*)C(=O)C3=C2)C=C1,0.168,,,,,,,,,,,,,
CC1=CC(OC2=CC=C(C=C2)C2(C3=C(C=CC=C3)C3=C2C=CC=C3)C2=CC=C(OC3=CC=C(N4C(=O)C5=C(C=C(C=C5)C(C5=CC=C6C(=O)N(*)C(=O)C6=C5)(C(F)(F)F)C(F)(F)F)C4=O)C(C)=C3)C=C2)=CC=C1*,0.169,,,,,,,,,,,,,
CC1=CC(OC2=CC=C(C=C2)C2(OC(=O)C3=CC=CC=C23)C2=CC=C(OC3=CC=C(N4C(=O)C5=C(C=C(C=C5)C(C5=CC6=C(C=C5)C(=O)N(*)C6=O)(C(F)(F)F)C(F)(F)F)C4=O)C(C)=C3)C=C2)=CC=C1*,0.194,,,,,,,,,,,,,
CC1=CC2=C(C3C4=C(C=CC=C4)C2C2=C3C(C)=C(N3C(=O)C4=C(C=C(C=C4)C(C4=CC=C5C(=O)N(*)C(=O)C5=C4)(C(F)(F)F)C(F)(F)F)C3=O)C(C)=C2)C(C)=C1*,0.124,,,,,,,,,,,,,
CC1=CC2=C(C3C4=C(C=CC=C4)C2C2=C3C(C)=C(N3C(=O)C4=C(C=C5C(=O)N(*)C(=O)C5=C4)C3=O)C(C)=C2)C(C)=C1*,0.144,3.656,2.24,,,,,5.58,,0.246,,,,
CC1=CC2=C(C3C4=C(C=CC=C4)C2C2=C3C(C)=C(N3C(=O)C4=CC=C5C(=O)N(*)C(=O)C6=C5C4=C(C=C6)C3=O)C(C)=C2)C(C)=C1*,0.188,2.598,1.962,,,,,4.702,,0.198,,,,
CC1=CC2=C(C3C4=C(C=CC=C4)C2C2=C3C(C)=C(N3C(=O)C4C(C5C=CC4C4C5C(=O)N(*)C4=O)C3=O)C(C)=C2)C(C)=C1*,0.126,2.881,1.876,,,,,4.624,,0.232,,,,
CC1=CC2=C(C=C1*)S(=O)(=O)C1=CC(N3C(=O)C4=CC5=C(C=C4C3=O)S(=O)(=O)C3=CC4=C(C=C3S5(=O)=O)C(=O)N(*)C4=O)=C(C)C=C21,0.286,3.588,1.649,,,,,4.29,,0.301,,,,
CC1=CC2=C(C=C1*)S(=O)(=O)C1=CC(N3C(=O)C4=CC=C(C=C4C3=O)C(C3=CC4=C(C=C3)C(=O)N(*)C4=O)(C(F)(F)F)C(F)(F)F)=C(C)C=C21,0.136,,,,,,,,,,,,,
CC1=CC2=C(C=C1*)S(=O)(=O)C1=CC(N3C(=O)C4=CC=C(C=C4C3=O)C3=CC4=C(C=C3)C(=O)N(*)C4=O)=C(C)C=C21,0.385,6.364,1.923,,,,,5.241,,0.363,,,,
CC1=CC2=C(C=C1*)S(=O)(=O)C1=CC(N3C(=O)C4=CC=C(C=C4C3=O)S(=O)(=O)C3=CC4=C(C=C3)C(=O)N(*)C4=O)=C(C)C=C21,0.205,,,,,,,,,,,,,
CC1=CC2=C(C=C1OC1=CC=C(*)C=C1)C(C)(C)CC1(CC(C)(C)C3=CC(OC4=CC=C(*)C=C4)=C(C)C=C3O1)O2,0.219,3.803,1.95,,,,,4.996,,0.281,,,,
CC1=CC2C(C=C1*)S(=O)(=O)C1=C2C=C(C)C(=C1)N1C(=O)C2=CC=C(C=C2C1=O)C(C1=CC2=C(C=C1)C(=O)N(*)C2=O)(C(F)(F)F)C(F)(F)F,0.146,3.045,2.253,,,,,5.422,,0.203,,,,
CC1=CC=C(C)C(OC2=CC=C3C(=O)N(*)C(=O)C3=C2)=C1OC1=CC2=C(C=C1)C(=O)N(C2=O)C1=C(C)C(C)=C(*)C(C)=C1C,0.165,,,,,,,,,,,,,
CC1=CC=C(C=C1)C(*)=C(*)C1=CC=C2C(=C1)C(C)(C)CC2(C)C,0.085,,,,,,,,,,,,,
CC1=CC=C(C=C1)C(*)C*,0.219,,,,,,,,,,,,,
CC1=CC=C(C=C1)C(=O)C1=C(*)C=C(C)C(O*)=C1C,0.169,,,,,,,,,,,,,
CC1=CC=C(C=C1)C(=O)OC(*)C*,0.202,,,,,,,,,,,,,
CC1=CC=C(OC2=CC3=C(C=C2C2=C(OC4=CC=C(C)C=C4)C=C4C(=O)N(C(=O)C4=C2)C2=CC=C(OC4=CC=C(*)C=C4)C=C2)C(=O)N(*)C3=O)C=C1,0.258,,,,,,,,,,,,,
CC1=CC=CC(OC2=CC=C3C(=O)N(*)C(=O)C3=C2)=C1OC1=CC2=C(C=C1)C(=O)N(C2=O)C1=C(C)C(C)=C(*)C(C)=C1C,0.186,,,,,,,,,,,,,
CC1=CC=CC=C1C(=O)OC(*)C*,0.186,,,,,,,,,,,,,
CC1CC(*)C(Br)C(C)C1O*,0.136,4.76,2.011,,,,,5.288,,0.315,,,,
CC1CC(*)C(C(C)C1O*)S(O)(=O)=O,0.156,3.989,2.139,,,,,5.444,,0.273,,,,
CCC(C)OC(=O)C(*)C(*)C(=O)OC(C)(C)C,0.146,1.851,0.963,,,,,2.462,,0.278,,,,
CCC(C)OC(=O)C(*)C(*)C(=O)OC(C)C,0.161,2.903,1.423,,,,,3.669,,0.289,,,,
CCC1=CC(C*)=CC=C1C*,0.266,,,,,,,,,,,,,
CCCC(*)=C(C)*,0.217,2.507,0.803,,,,,2.177,,0.355,,,,
CCCCC1=CC=C(C=C1)C(*)=C(*)C1=CC=CC=C1,0.168,,,,,,,,,,,,,
CCCCCC(*)=C(C)*,0.196,2.915,1.4,,,,,3.62,,0.293,,,,
CCCCCCC(*)=C(C)*,0.24,,,,,,,,,,,,,
CCCCCCCC(*)=C(C)*,0.29,3.719,1.504,,,,,3.976,,0.322,,,,
CCCCCCCCCCCCC1=C(*)SC(*)=C1,0.435,4.77,1.735,,,,,4.642,,0.338,,,,
CCCCCCCCCCCCCCOC(=O)C(*)C*,0.31,,,,,,,,,,,,,
CCCCCCCCCCOC(=O)C(*)C*,0.268,,,,,,,,,,,,,
CCCCN1C(*)=NC2=C1C=CC(=C2)C1=CC2=C(C=C1)N(CCCC)C(=N2)C1=CC(=CC(*)=C1)C(C)(C)C,0.3,,,,,,,,,,,,,
CCCCN1C(*)=NC2=C1C=CC(=C2)C1=CC2=C(C=C1)N(CCCC)C(=N2)C1=CC=CC(*)=C1,0.338,,,,,,,,,,,,,
CCN1C2C=CC(*)=CC2C2=C1C=CC(=C2)N1C(=O)C2=CC=C(C=C2C1=O)C(C1=CC2=C(C=C1)C(=O)N(*)C2=O)(C(F)(F)F)C(F)(F)F,0.141,4.099,2.662,,,,,6.565,,0.233,,,,
CCNC(=O)OCCCCC(*)=C=C=C(*)CCCCOC(=O)NCC,0.26,,,,,11.91345443,,,,,,,,
CCOC(=O)C(*)C*,0.204,,,,,,,,,,,,,
CCOC(=O)C(C)(*)C*,0.219,,,,,,,,,,,,,
CCOC1=C(N*)C=CC(*)=C1,0.325,,,,,,,,,,,,,
CCOC1C(*)C(COC(=O)NC(C)(C)C)OC(O*)C1OCC,0.236,4.36,2.396,,,,,6.075,,0.268,,,,
CCOCC1OC(CO*)C(OCC)C(OCC)C1*,0.201,3.721,1.615,,,,,4.233,,0.31,,,,
CCOCC1OC(O*)C(OCC)C(OCC)C1*,0.209,3.898,2.145,,,,,5.438,,0.268,,,,
CCOCCOC(=O)C(C)(*)C*,0.222,,,,,,,,,,,,,
CCOCCOCCOC(=O)C(C)(*)C*,0.208,5.043,2.272,,,,,5.926,,0.304,,,,
CCOCCOCCOCCOC(=O)C(C)(*)C*,0.256,,,,,,,,,,,,,
CN1C(*)=CC=C1*,0.435,4.125,1.321,,,,,3.581,,0.355,,,,
CN1C(*)=NC2=C1C=CC(=C2)C1=CC2=C(C=C1)N(C)C(=N2)C1=CC(=CC(*)=C1)C(C)(C)C,0.321,4.073,1.776,,,,,4.652,,0.31,,,,
CN1C(*)=NC2=C1C=CC(=C2)C1=CC2=C(C=C1)N(C)C(=N2)C1=CC=CC(*)=C1,0.257,,,,,,,,,,,,,
COC(=O)C(*)C*,0.211,,,,,,,,,,,,,
COC(=O)C(C)(*)C*,0.141,,,,,,,,,,,,,
COC1=C(N*)C=CC(*)=C1,0.297,,,,,,,,,,,,,
COC1=CC(=CC=C1N1C(=O)C2=C(C=C(OC3=C(OC4=CC=C5C(=O)N(*)C(=O)C5=C4)C=CC(=C3)C(C)(C)C)C=C2)C1=O)C1=CC(OC)=C(*)C=C1,0.247,,,,,,,,,,,,,
COC1=CC=C(C=C1)C(*)C*,0.214,,,,,,,,,,,,,
COC1=CC=C(C=C1)N(C1=CC=C(*)C=C1)C1=CC=C(C=C1)N1C(=O)C2=C(C=C(C=C2)C(C2=CC=C3C(=O)N(*)C(=O)C3=C2)(C(F)(F)F)C(F)(F)F)C1=O,0.177,,,,,,,,,,,,,
COC1=CC=C(C=C1)N(C1=CC=C(OC)C=C1)C1=CC=C(C=C1)N(C1=CC=C(*)C=C1)C1=CC=C(C=C1)N1C(=O)C2=C(C=C(C=C2)C(C2=CC=C3C(=O)N(*)C(=O)C3=C2)(C(F)(F)F)C(F)(F)F)C1=O,0.214,,,,,,,,,,,,,
C\C(C*)=C(\C)C*,0.202,,,,,,,,,,,,,
C\C(C*)=C\C*,0.213,3.708,1.419,,,,,3.775,,0.33,,,,
Cc1ccc(cc1)S(=O)(=O)OCCCCC(*)=C=C=C(*)CCCCOS(=O)(=O)c1ccc(C)cc1,0.21,,,,,10.96853461,,,,,,,,
ClC(*)CCCC(*)S(Cl)(=O)=O,0.152,5.359,2.204,,,,,5.815,,0.319,,,,
ClC(Cl)(*)C*,0.111,3.929,2.291,,,,,5.755,,0.256,,,,
ClC(Cl)=C(C1=CC=C(*)C=C1)C1=CC=C(OC(=O)O*)C=C1,0.225,,,,,,,,,,,,,
ClC1=CC(*)=CC=C1CC1=C(Cl)C=C(C=C1)N1C(=O)C2=CC=C(C=C2C1=O)C1=CC2=C(C=C1)C(=O)N(*)C2=O,0.338,,,,,,,,,,,,,
ClC1=CC(C*)=C(Cl)C=C1C*,0.146,1.731,,,,,,,,,,,,
ClC1=CC(C*)=CC=C1C*,0.197,,,,,,,,,,,,,
ClC1=CC(CC2=CC(Cl)=C(C=C2)N2C(=O)C3=CC=C(C=C3C2=O)C2=CC3=C(C=C2)C(=O)N(*)C3=O)=CC=C1*,0.26,,,,,,,,,,,,,
ClCC(C*)O*,0.149,,,,,,,,,,,,,
Cl\C(C*)=C\C*,0.16,,,,,,,,,,,,,
FC(*)C*,0.161,5.129,2.315,,,,,6.037,,0.304,,,,
FC(F)(*)C(F)(F)*,0.214,0.887,0.164,,,,,0.463,,0.413,,,,
FC(F)(*)C1(F)OC(F)(F)C(F)(F)C1(F)C(F)(F)*,0.1,1.094,1.404,,,,,2.95,,0.051,,,,
FC(F)(F)C(*)(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=C(*)C=C1,0.172,4.214,3.439,,,,,8.111,,0.179,,,,
FC(F)(F)C(*)(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(*)C=C1,0.285,,,,,,,,,,,,,
FC(F)(F)C(*)(C1=CC=CC=C1)C1=CC=C(OC2=CC=C(*)C=C2)C=C1,0.195,,,,,,,,,,,,,
FC(F)(F)C(*)(C1=CC=CC=C1)C1=CC=C(OC2=CC=C(C=C2)C(=O)C2=CC=C(OC3=CC=C(*)C=C3)C=C2)C=C1,0.217,,,,,,,,,,,,,
FC(F)(F)C(C1=CC(*)=CC=C1)(C1=CC(=CC=C1)C1=NN=C(*)N1C1=CC=CC=C1)C(F)(F)F,0.116,,,,,,,,,,,,,
FC(F)(F)C(C1=CC(Br)=C(O*)C(Br)=C1)(C1=CC(Br)=C(OC(*)=O)C(Br)=C1)C(F)(F)F,0.07,,,,,,,,,,,,,
FC(F)(F)C(C1=CC2=C(C=C1)C(=O)N(*)C2=O)(C1=CC2=C(C=C1)C(=O)N(C2=O)C1=CC2=C(C=C1)C1C3=C(C=CC=C3)C2C2=C1C=C(*)C=C2)C(F)(F)F,0.154,,,,,,,,,,,,,
FC(F)(F)C(C1=CC2=C(C=C1)C(=O)N(*)C2=O)(C1=CC2=C(C=C1)C(=O)N(C2=O)C1=CC2=CC=C3OC4CC(C3=C2C=C1)C1=C(O4)C=CC2=C1C=CC(*)=C2)C(F)(F)F,0.147,,,,,,,,,,,,,
FC(F)(F)C(C1=CC2=C(C=C1)C(=O)N(*)C2=O)(C1=CC2=C(C=C1)C(=O)N(C2=O)C1=CC2=CC=C3OC4OC5=CC=C6C=C(*)C=CC6=C5C4C3=C2C=C1)C(F)(F)F,0.131,,,,,,,,,,,,,
FC(F)(F)C(C1=CC2=C(C=C1)C(=O)N(*)C2=O)(C1=CC2=C(C=C1)C(=O)N(C2=O)C1=CC=C(C=C1)C1(C2=C(C=CC=C2)C2=C1C=CC=C2)C1=CC=C(*)C=C1)C(F)(F)F,0.15,,,,,,,,,,,,,
FC(F)(F)C(C1=CC2=C(C=C1)C(=O)N(*)C2=O)(C1=CC2=C(C=C1)C(=O)N(C2=O)C1=CC=C(OC2=C(C3=C(C=CC=C3)C=C2)C2=C(OC3=CC=C(*)C=C3)C=CC3=C2C=CC=C3)C=C1)C(F)(F)F,0.156,,,,,,,,,,,,,
FC(F)(F)C(C1=CC2=C(C=C1)C(=O)N(*)C2=O)(C1=CC2=C(C=C1)C(=O)N(C2=O)C1=CC=CC=C1OC1=C(C2=C(C=CC=C2)C=C1)C1=C(OC2=C(*)C=CC=C2)C=CC2=C1C=CC=C2)C(F)(F)F,0.116,,,,,,,,,,,,,
FC(F)(F)C(C1=CC2=C(C=C1)C(=O)N(*)C2=O)(C1=CC=C2C(=O)N(C(=O)C2=C1)C1=C(Cl)C=C(CC2=CC=C(*)C(Cl)=C2)C=C1)C(F)(F)F,0.119,,,,,,,,,,,,,
FC(F)(F)C(C1=CC2=C(C=C1)C(=O)N(*)C2=O)(C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC(*)=CC=C1)C(F)(F)F,0.161,4.523,2.474,,,,,6.277,,0.269,,,,
FC(F)(F)C(C1=CC2=C(C=C1)C(=O)N(*)C2=O)(C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC2=C(C=C1)C1C3=C(C=CC=C3)C2C2=C1C=CC(*)=C2)C(F)(F)F,0.118,,,,,,,,,,,,,
FC(F)(F)C(C1=CC2=C(C=C1)C(=O)N(*)C2=O)(C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC2=C(C=C1)C1C=CC(*)=CC1C2)C(F)(F)F,0.195,,,,,,,,,,,,,
FC(F)(F)C(C1=CC2=C(C=C1)C(=O)N(*)C2=O)(C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC2=C(C=C1)C1C=CC(*)=CC1C2=O)C(F)(F)F,0.158,,,,,,,,,,,,,
FC(F)(F)C(C1=CC2=C(C=C1)C(=O)N(*)C2=O)(C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=C(CC2=CC=C(*)C=C2)C=C1)C(F)(F)F,0.177,,,,,,,,,,,,,
FC(F)(F)C(C1=CC2=C(C=C1)C(=O)N(*)C2=O)(C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=C(OC2=CC=C(*)C=C2)C=C1)C(F)(F)F,0.18,,,,,,,,,,,,,
FC(F)(F)C(C1=CC2=C(C=C1)C(=O)N(*)C2=O)(C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=C(SC2=CC=C(*)C=C2)C=C1)C(F)(F)F,0.164,,,,,,,,,,,,,
FC(F)(F)C(C1=CC2=C(C=C1)C(=O)N(*)C2=O)(C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=C(SC2=CC=C(SC3=CC=C(*)C=C3)C=C2)C=C1)C(F)(F)F,0.159,,,,,,,,,,,,,
FC(F)(F)C(C1=CC2=C(C=C1)C(=O)N(*)C2=O)(C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=C(SC2=CC=C(SC3=CC=C(SC4=CC=C(*)C=C4)C=C3)C=C2)C=C1)C(F)(F)F,0.158,,,,,,,,,,,,,
FC(F)(F)C(C1=CC2=C(C=C1)C(=O)N(*)C2=O)(C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=C(SC2=CC=C(SC3=CC=C(SC4=CC=C(SC5=CC=C(*)C=C5)C=C4)C=C3)C=C2)C=C1)C(F)(F)F,0.148,,,,,,,,,,,,,
FC(F)(F)C(C1=CC2=C(C=C1)C(=O)N(*)C2=O)(C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=CC(*)=C1)C(F)(F)F,,4.694,2.384,,,,,6.117,,0.283,,,,
FC(F)(F)C(C1=CC2=C(C=C1)C(=O)N(C2=O)C1=CC=C(C=C1)N(C1=CC=C(*)C=C1)C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)(C1=CC=C2C(=O)N(*)C(=O)C2=C1)C(F)(F)F,0.159,,,,,,,,,,,,,
FC(F)(F)C(C1=CC2=C(C=C1)C(=O)N(C2=O)C1=CC=C(CC2=CC=C(*)C=C2)C=C1)(C1=CC=C2C(=O)N(*)C(=O)C2=C1)C(F)(F)F,0.148,,,,,,,,,,,,,
FC(F)(F)C(C1=CC2=C(C=C1)C(=O)N(C2=O)C1=CC=C(OC2=CC=C(C=C2)C2(C3=C(C=CC=C3)C3=C2C=CC=C3)C2=CC=C(OC3=CC=C(*)C=C3)C=C2)C=C1)(C1=CC=C2C(=O)N(*)C(=O)C2=C1)C(F)(F)F,0.181,,,,,,,,,,,,,
FC(F)(F)C(C1=CC2=C(OC(=N2)C2=CC=C(OC3=C4C5C6=C(C=CC=C6)C(C6=C5C=CC=C6)C4=C(OC4=CC=C(*)C=C4)C4=C3C3C5=C(C=CC=C5)C4C4=C3C=CC=C4)C=C2)C=C1)(C1=CC=C2OC(*)=NC2=C1)C(F)(F)F,,3.676,1.613,,,,1.039447171,4.222,,0.309,,,,
FC(F)(F)C(C1=CC2=C(OC(=N2)C2=CC=C(OC3=C4C5C6=C(C=CC=C6)C(C6=C5C=CC=C6)C4=C(OC4=CC=C(*)C=C4)C=C3)C=C2)C=C1)(C1=CC=C2OC(*)=NC2=C1)C(F)(F)F,,3.718,1.427,,,21.88890759,1.11911461,3.795,,0.33,,,,
FC(F)(F)C(C1=CC2=C(OC(=N2)C2=CC=C(OC3=CC=C(OC4=CC=C(*)C=C4)C4=C3C3C5=C(C=CC=C5)C4C4=C3C=CC=C4)C=C2)C=C1)(C1=CC=C2OC(*)=NC2=C1)C(F)(F)F,,4.082,1.819,,,,1.139363786,4.751,,0.306,,,,
FC(F)(F)C(C1=CC2C(C=C1)C(=O)N(*)C2=O)(C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC(OC2=CC=CC(*)=C2)=CC=C1)C(F)(F)F,0.161,,,,,,,,,,,,,
FC(F)(F)C(C1=CC2C(C=C1)C(=O)N(*)C2=O)(C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=C(*)C=C1)C(F)(F)F,0.177,,,,,,,,,,,,,
FC(F)(F)C(C1=CC2C(C=C1)C(=O)N(*)C2=O)(C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=C(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NC2=CC=C(*)C=C2)C=C1)C(F)(F)F,0.159,,,,,,,,,,,,,
FC(F)(F)C(C1=CC2C(C=C1)C(=O)N(*)C2=O)(C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=C(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NC2=CC=C(*)C=C2)C=C1)C(F)(F)F,0.149,,,,,,,,,,,,,
FC(F)(F)C(C1=CC2C(C=C1)C(=O)N(*)C2=O)(C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=CC(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NC2=CC=C(*)C=C2)=C1)C(F)(F)F,0.168,,,,,,,,,,,,,
FC(F)(F)C(C1=CC2C(C=C1)C(=O)N(*)C2=O)(C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=CC(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NC2=CC=C(*)C=C2)=C1)C(F)(F)F,0.147,,,,,,,,,,,,,
FC(F)(F)C(C1=CC2N=C(*)OC2C=C1)(C1=CC=C2OC(=NC2=C1)C1=CC2=C(C=C1)C=C(*)C=C2)C(F)(F)F,0.176,,,,,,,,,,,,,
FC(F)(F)C(C1=CC2N=C(*)OC2C=C1)(C1=CC=C2OC(=NC2=C1)C1=CC=C(C=C1)C(=O)C1=CC=C(*)C=C1)C(F)(F)F,0.177,,,,,,,,,,,,,
FC(F)(F)C(C1=CC2N=C(OC2C=C1)C1=CC(*)=CC=C1)(C1=CC=C2OC(=NC2=C1)C1=CC=CC(*)=C1)C(F)(F)F,0.174,,,,,,,,,,,,,
FC(F)(F)C(C1=CC=C(*)C=C1)(C1=CC=C(C=C1)C1=NC2=C(O1)C=CC(=C2)C(C1=CC2=C(OC(*)=N2)C=C1)(C(F)(F)F)C(F)(F)F)C(F)(F)F,0.162,,,,,,,,,,,,,
FC(F)(F)C(C1=CC=C(*)C=C1)(C1=CC=C(C=C1)C1=NC2=C(O1)C=CC(=C2)C(C1=CC=C2OC(*)=NC2=C1)(C(F)(F)F)C(F)(F)F)C(F)(F)F,0.145,,,,,,,,,,,,,
FC(F)(F)C(C1=CC=C(*)C=C1)(C1=CC=C(C=C1)C1=NC2=CC(=CC=C2O1)C(C1=CC2N=C(*)OC2C=C1)(C(F)(F)F)C(F)(F)F)C(F)(F)F,0.144,,,,,,,,,,,,,
FC(F)(F)C(C1=CC=C(*)C=C1)(C1=CC=C(C=C1)C1=NN=C(*)O1)C(F)(F)F,0.151,,,,,,,,,,,,,
FC(F)(F)C(C1=CC=C(*)C=C1)(C1=CC=C(C=C1)N1C(=O)C2=CC=C(C=C2C1=O)C(=O)C1=CC=C2C(=O)N(*)C(=O)C2=C1)C(F)(F)F,0.189,,,,,,,,,,,,,
FC(F)(F)C(C1=CC=C(*)C=C1)(C1=CC=C(C=C1)N1C(=O)C2=CC=C(C=C2C1=O)C1=CC2C(C=C1)C(=O)N(*)C2=O)C(F)(F)F,0.165,,,,,,,,,,,,,
FC(F)(F)C(C1=CC=C(*)C=C1)(C1=CC=C(OC2=CC=C(C=C2)C(=O)C2=CC=C(O*)C3=C2C=CC=C3)C=C1)C(F)(F)F,0.164,,,,,,,,,,,,,
FC(F)(F)C(C1=CC=C(*)C=C1)(C1=CC=C(OC2=CC=C(C=C2)C(=O)C2=CC=CC(=C2)C2=CC=CC(=C2)C(=O)C2=CC=C(O*)C=C2)C=C1)C(F)(F)F,0.182,,,,,,,,,,,,,
FC(F)(F)C(C1=CC=C(*)C=C1)(C1=CC=C(OC2=CC=C(C=C2)C(=O)C2=CC=CC=C2C2=C(C=CC=C2)C(=O)C2=CC=C(O*)C=C2)C=C1)C(F)(F)F,0.182,,,,,,,,,,,,,
FC(F)(F)C(C1=CC=C(*)C=C1)(C1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(O*)C=C2)C=C1)C(F)(F)F,0.143,,,,,,,,,,,,,
FC(F)(F)C(C1=CC=C(O*)C=C1)(C1=CC=C(OC(*)=O)C=C1)C(F)(F)F,0.127,,,,,,,,,,,,,
FC(F)(F)C(C1=CC=C(O*)C=C1)(C1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(*)C=C2)C=C1)C(F)(F)F,0.182,,,,,,,,,,,,,
FC(F)(F)C(C1=CC=C(OC(=O)C2=CC3=C(C=C2)C(=O)N(*)C3=O)C=C1)(C1=CC=C(OC(=O)C2=CC=C3C(=O)N(C(=O)C3=C2)C2=CC=C(C=C2)C2=CC=C(*)C=C2)C=C1)C(F)(F)F,0.238,,,,,,,,,,,,,
FC(F)(F)C(C1=CC=C(OC2=CC(=CC=C2)N2C(=O)C3=CC4C(C=C3C2=O)C(=O)N(*)C4=O)C=C1)(C1=CC=C(OC2=CC=CC(*)=C2)C=C1)C(F)(F)F,0.184,,,,,,,,,,,,,
FC(F)(F)C(C1=CC=C(OC2=CC=C(*)C=C2)C=C1)(C1=CC=C(OC2=CC=C(C=C2)N2C(=C)C3=CC=C4C(=C)N(*)C(=C)C5=C4C3=C(C=C5)C2=C)C=C1)C(F)(F)F,0.289,4.849,1.78,,,,,4.758,,0.336,,,,
FC(F)(F)C(C1=CC=C(OC2=CC=C(*)C=C2)C=C1)(C1=CC=C(OC2=CC=C(C=C2)N2C(=O)C3=CC4=C(C=C3C2=O)C(=O)N(*)C4=O)C=C1)C(F)(F)F,0.255,,,,,,,,,,,,,
FC(F)(F)C(C1=CC=C(OC2=CC=C(*)C=C2)C=C1)(C1=CC=C(OC2=CC=C(C=C2)N2C(=O)C3=CC4C(C=C3C2=O)C(=O)N(*)C4=O)C=C1)C(F)(F)F,0.174,,,,,,,,,,,,,
FC(F)(F)C(C1=CC=C(OC2=CC=C(*)C=C2)C=C1)(C1=CC=C(OC2=CC=C(C=C2)N2C(=O)C3=CC=C(C=C3C2=O)C2=CC3=C(C=C2)C(=O)N(*)C3=O)C=C1)C(F)(F)F,0.271,,,,,,,,,,,,,
FC(F)(F)C(C1=CC=C(OC2=CC=C(*)C=C2)C=C1)(C1=CC=C(OC2=CC=C(C=C2)N2C(=O)C3=CC=C(C=C3C2=O)C2=CC=C3C(=O)N(*)C(=O)C3=C2)C=C1)C(F)(F)F,0.235,,,,,,,,,,,,,
FC(F)(F)C(C1=CC=C2C(=O)N(*)C(=O)C2=C1)(C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=C(OC2=CC=C(*)C=C2)C=C1)C(F)(F)F,0.187,6.323,2.617,,,,,6.899,,0.318,,,,
FC(F)(F)C(C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=C(*)C=C1)(C1=CC2=C(C=C1)C(=O)N(*)C2=O)C(F)(F)F,0.174,,,,,,,,,,,,,
FC(F)(F)C(C1CC=C(*)C=C1)(C1=CC=C(C=C1)C1=NN=C(*)O1)C(F)(F)F,0.157,4.187,2.202,,,,,5.621,,0.276,,,,
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C(*)C*,0.085,1.892,1.158,,,,,2.885,,0.246,,,,
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C1=CC(=CC(*)=C1)N1C(=O)C2=CC=C(C=C2C1=O)C(=O)C1=CC2=C(C=C1)C(=O)N(*)C2=O,0.167,,,,,,,,,,,,,
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C1=CC(=CC(*)=C1)N1C(=O)C2=CC=C(C=C2C1=O)C(C1=CC2=C(C=C1)C(=O)N(*)C2=O)(C(F)(F)F)C(F)(F)F,0.157,4.64,2.789,,,,,6.97,,0.25,,,,
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C1=CC(=CC(*)=C1)N1C(=O)C2=CC=C(OC3=CC4=C(C=C3)C(=O)N(*)C4=O)C=C2C1=O,0.168,,,,,,,,,,,,,
FC(F)(F)C1(C(*)CC(\C=C\*)C1(F)F)C(F)(F)F,,3.293,2.557,,,,,6.094,,0.192,,,,
FC(F)(F)C1=C(OC2=CC=C(C=C2)C(C2=CC=C(OC3=C(C=C(C=C3)N3C(=O)C4=CC=C(C=C4C3=O)C(C3=CC=C4C(=O)N(*)C(=O)C4=C3)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C=C2)(C(F)(F)F)C(F)(F)F)C=CC(*)=C1,0.156,4.311,2.998,,,,,7.301,,0.218,,,,
FC(F)(F)C1=CC(*)=CC(=C1)N1C(=O)C2=CC=C(C=C2C1=O)C(C1=CC2C(C=C1)C(=O)N(*)C2=O)(C(F)(F)F)C(F)(F)F,0.096,3.716,2.349,,,,,5.821,,0.239,,,,
FC(F)(F)C1=CC(*)=CC=C1OC1=C(C2=C(C=CC=C2)C=C1)C1=C(OC2=C(C=C(C=C2)N2C(=O)C3=C(C=C(C=C3)C(C3=CC4=C(C=C3)C(=O)N(*)C4=O)(C(F)(F)F)C(F)(F)F)C2=O)C(F)(F)F)C=CC2=C1C=CC=C2,0.136,,,,,,,,,,,,,
FC(F)(F)C1=CC(=CC(=C1)C1=CC(O*)=CC=C1OC1=CC=C(C=C1)C(=O)C1=CC=C(*)C=C1)C(F)(F)F,0.203,,,,,,,,,,,,,
FC(F)(F)C1=CC(=CC=C1)C1=CC(O*)=CC=C1OC1=CC=C(C=C1)C(=O)C1=CC=C(*)C=C1,0.213,,,,,,,,,,,,,
FC(F)(F)C1=CC(=CC=C1)C1=CC(O*)=CC=C1OC1=CC=CC(*)=C1C#N,0.199,,,,,,,,,,,,,
FC(F)(F)C1=CC(=CC=C1OC1=CC=C(C=C1)C1(C2=C(C=CC=C2)C2=C1C=CC=C2)C1=CC=C(OC2=CC=C(C=C2C(F)(F)F)C2=CC=C(C=C2)N2C(=O)C3=CC=C(C=C3C2=O)C(=O)C2=CC3C(C=C2)C(=O)N(*)C3=O)C=C1)C1=CC=C(*)C=C1,0.148,,,,,,,,,,,,,
FC(F)(F)C1=CC(=CC=C1OC1=CC=C(C=C1)C1(C2=C(C=CC=C2)C2=C1C=CC=C2)C1=CC=C(OC2=CC=C(C=C2C(F)(F)F)C2=CC=C(C=C2)N2C(=O)C3=CC=C(C=C3C2=O)C(C2=CC3C(C=C2)C(=O)N(*)C3=O)(C(F)(F)F)C(F)(F)F)C=C1)C1=CC=C(*)C=C1,0.163,,,,,,,,,,,,,
FC(F)(F)C1=CC(=CC=C1OC1=CC=C(C=C1)C1(C2=C(C=CC=C2)C2=C1C=CC=C2)C1=CC=C(OC2=CC=C(C=C2C(F)(F)F)C2=CC=C(C=C2)N2C(=O)C3=CC=C(OC4=CC5C(C=C4)C(=O)N(*)C5=O)C=C3C2=O)C=C1)C1=CC=C(*)C=C1,0.229,,,,,,,,,,,,,
FC(F)(F)C1=CC(=CC=C1OC1=CC=C(C=C1)C1(N(C(=O)C2=C1C=CC=C2)C1=CC=CC=C1)C1=CC=C(OC2=C(C=C(C=C2)C2=CC=C(C=C2)N2C(=O)C3=CC4=C(C=C3C2=O)C(=O)N(*)C4=O)C(F)(F)F)C=C1)C1=CC=C(*)C=C1,0.199,,,,,,,,,,,,,
FC(F)(F)C1=CC(=CC=C1OC1=CC=C(C=C1)C1(N(C(=O)C2=C1C=CC=C2)C1=CC=CC=C1)C1=CC=C(OC2=C(C=C(C=C2)C2=CC=C(C=C2)N2C(=O)C3=CC=C(C=C3C2=O)C(=O)C2=CC=C3C(=O)N(*)C(=O)C3=C2)C(F)(F)F)C=C1)C1=CC=C(*)C=C1,0.201,,,,,,,,,,,,,
FC(F)(F)C1=CC(=CC=C1OC1=CC=C(C=C1)C1(N(C(=O)C2=C1C=CC=C2)C1=CC=CC=C1)C1=CC=C(OC2=C(C=C(C=C2)C2=CC=C(C=C2)N2C(=O)C3=CC=C(C=C3C2=O)C(C2=CC=C3C(=O)N(*)C(=O)C3=C2)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C=C1)C1=CC=C(*)C=C1,0.172,,,,,,,,,,,,,
FC(F)(F)C1=CC(=CC=C1OC1=CC=C(C=C1)C1(N(C(=O)C2=C1C=CC=C2)C1=CC=CC=C1)C1=CC=C(OC2=C(C=C(C=C2)C2=CC=C(C=C2)N2C(=O)C3=CC=C(OC4=CC=C5C(=O)N(*)C(=O)C5=C4)C=C3C2=O)C(F)(F)F)C=C1)C1=CC=C(*)C=C1,0.238,,,,,,,,,,,,,
FC(F)(F)C1=CC(=CC=C1OC1=CC=C(C=C1)N1C(=O)C2=C(C=C(C=C2)C(C2=CC=C3C(=O)N(*)C(=O)C3=C2)(C(F)(F)F)C(F)(F)F)C1=O)C1=CC=C(C=C1)C1=CC(=C(OC2=CC=C(*)C=C2)C=C1)C(F)(F)F,0.214,,,,,,,,,,,,,
FC(F)(F)C1=CC(=CC=C1OC1=CC=C(C=C1)N1C(=O)C2=C(C=C(C=C2)C(C2=CC=C3C(=O)N(*)C(=O)C3=C2)(C(F)(F)F)C(F)(F)F)C1=O)C1=CC=CC(=N1)C1=CC(=C(OC2=CC=C(*)C=C2)C=C1)C(F)(F)F,0.19,,,,,,,,,,,,,
FC(F)(F)C1CC(CCC1OC1=CC=C(C=C1)C1(C2=CC=CC=C2C2=C1C=CC=C2)C1=CC=C(*)C=C1)C1=CC(=CN=C1)C1=CC(=C(O*)C=C1)C(F)(F)F,0.164,,,,,,,,,,,,,
FC(F)(F)C1CC(CCC1OC1=CC=C(C=C1)C1(C2=CC=CC=C2C2=C1C=CC=C2)C1=CC=C(*)C=C1)C1=CC=C(S1)C1=CC(=C(O*)C=C1)C(F)(F)F,0.163,,,,,,,,,,,,,
FC1=CC(*)=CC=C1CC1=C(F)C=C(C=C1)N1C(=O)C2=CC=C(C=C2C1=O)C1=CC2=C(C=C1)C(=O)N(*)C2=O,0.281,,,,,,,,,,,,,
FCC1CC2CC1C(*)C2*,0.129,,,,,,,,,,,,,
NC1=CC(OC2=CC(NC(=O)C3=CC(=CC=C3C(O)=O)C(C3=CC=C(C(=O)N*)C(=C3)C(O)=O)(C(F)(F)F)C(F)(F)F)=C(N)C=C2)=CC=C1*,0.16,,,,,,,,,,,,,
OC(=O)C1=C(C=CC=C1)C(C1=CC=C(O*)C=C1)C1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(*)C=C2)C=C1,0.22,,,,,,,,,,,,,
OC(=O)C1C=CC=CC1C(C1=CC=C(O*)C=C1)C1=CC=C(OC2=CC=C(C=C2)C(=O)C2=CC=C(*)C=C2)C=C1,0.237,,,,,,,,,,,,,
OC(C*)CO*,0.249,,,,,,,,,,,,,
OC1=CC=C(C=C1)C(*)C*,0.209,,,,,,,,,,,,,
OC1=CC=C(C=C1)N1C(*)=NN=C1C1=CC=C(C=C1)C(C1=CC=C(*)C=C1)(C(F)(F)F)C(F)(F)F,0.154,,,,,,,,,,,,,
OC1=CC=C(C=C1)N1C(*)=NN=C1C1=CC=CC(=C1)C(C1=CC(*)=CC=C1)(C(F)(F)F)C(F)(F)F,0.1,,,,,,,,,,,,,
OC1=CC=C(C=C1*)C(C1=CC(N2C(=O)C3=C(C=C(C=C3)C(C3=CC4=C(C=C3)C(=O)N(*)C4=O)(C(F)(F)F)C(F)(F)F)C2=O)=C(O)C=C1)(C(F)(F)F)C(F)(F)F,0.116,,,,,,,,,,,,,
[H]C(*)=C(*)C(C)(C)C,0.249,3.437,1.483,,,,,3.89,,0.311,,,,
[H]C([H])(C1=CC=C(*)C=C1)C1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(O*)C=C2)C=C1,0.262,,,,,,,,,,,,,
[H]C([H])(C1=CC=C(O*)C=C1)C1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(*)C=C2)C=C1,0.26,,,,,,,,,,,,,
[H]C1=C([H])C2([H])C3C(C(=O)N(*)C3=O)C1([H])C1C2C(=O)N(C1=O)C1=CC2=C(C=C1O)C1(CC(C)(C)C3=C1C=C(O)C(*)=C3)CC2(C)C,0.189,2.324,1.107,,,,,2.866,,0.294,,,,
[H]C1=CC(=CC(=C1)C(=O)OC1=C(Br)C=C(C=C1Br)C(C1=CC(Br)=C(O*)C(Br)=C1)(C(F)(F)F)C(F)(F)F)C(*)=O,0.077,,,,,,,,,,,,,
[H]C1=CC(=CC(=C1)C(=O)OC1=C(Br)C=C(C=C1Br)C1(C2C=CC=CC2C2C=CC=CC12)C1=CC(Br)=C(O*)C(Br)=C1)C(*)=O,0.114,,,,,,,,,,,,,
[H]C1=CC(=CC(=C1)C(=O)OC1=C(Br)C=C(C=C1Br)C1(OC(=O)C2C=CC=CC12)C1=CC(Br)=C(O*)C(Br)=C1)C(*)=O,0.107,,,,,,,,,,,,,
[H]C1=CC(=CC(=C1)C(=O)OC1=C(C)C=C(C=C1Br)C(C)(C)C1=CC(Br)=C(O*)C(C)=C1)C(*)=O,0.197,,,,,,,,,,,,,
[H]C1=CC(=CC(=C1)C(=O)OC1=C(C)C=C(C=C1C)C(C)(C)C1=CC(C)=C(O*)C(C)=C1)C(*)=O,0.216,,,,,,,,,,,,,
[H]C1=CC(=CC(=C1)C(=O)OC1=C(C)C=C(C=C1[H])C(C)(C)C1=CC([H])=C(O*)C(C)=C1)C(*)=O,0.184,,,,,,,,,,,,,
[H]C1=CC(=CC(=C1)C(=O)OC1=C(C=C(C=C1[H])C(C)(C)C1=CC([H])=C(O*)C(=C1)C(C)C)C(C)C)C(*)=O,0.221,,,,,,,,,,,,,
[H]C1=CC(=CC(=C1)C(=O)OC1=C([H])C=C(C=C1[H])C1(C2C=CC=CC2C2C=CC=CC12)C1=CC([H])=C(O*)C([H])=C1)C(*)=O,0.225,,,,,,,,,,,,,
[H]C1=CC(=CC(=C1)C(=O)OC1=C([H])C=C(C=C1[H])C1(OC(=O)C2=C1C=CC=C2)C1=CC([H])=C(O*)C([H])=C1)C(*)=O,0.244,,,,,,,,,,,,,
[H]C1=CC(=CC(=C1)C(=O)OC1=C([H])C=C(C=C1[H])C1(OC(=O)C2C=CC=CC12)C1=CC([H])=C(O*)C([H])=C1)C(*)=O,0.193,,,,,,,,,,,,,
[H]C1=CC(=CC(C(C)C)=C1OC(=O)C1=CC(=CC(=C1)C(*)=O)C(C)(C)C)C(C)(C)C1=CC([H])=C(O*)C(=C1)C(C)C,0.179,,,,,,,,,,,,,
[H]C1=CC(=CC(C)=C1OC(=O)C1=CC(=CC(=C1)C(*)=O)C(C)(C)C)C(C)(C)C1=CC([H])=C(O*)C(C)=C1,0.196,,,,,,,,,,,,,
[H]C1=CC(=CC([H])=C1O*)C(C)(C)C1=CC([H])=C(OC(=O)C2=CC(=CC(=C2)C(*)=O)C(C)(C)C)C([H])=C1,0.231,,,,,,,,,,,,,
[H]C1=CC(=CC([H])=C1O*)C1(C2C=CC=CC2C2C=CC=CC12)C1=CC([H])=C(OC(=O)C2=CC(=CC(=C2)C(*)=O)C(C)(C)C)C([H])=C1,0.177,,,,,,,,,,,,,
[H]C1=CC(=CC([H])=C1O*)C1(C2C=CC=CC2C2C=CC=CC12)C1=CC([H])=C(OC(=O)C2=CC=CC(=C2)C(*)=O)C([H])=C1,0.195,,,,,,,,,,,,,
[H]C1=CC(=CC([H])=C1O*)C1(OC(=O)C2=C1C=CC=C2)C1=CC([H])=C(OC(=O)C2=CC(=CC(=C2)C(*)=O)C(C)(C)C)C([H])=C1,0.188,,,,,,,,,,,,,
[H]C1=CC(=CC([H])=C1O*)C1(OC(=O)C2C=CC=CC12)C1=CC([H])=C(OC(=O)C2=CC(=CC(=C2)C(*)=O)C(C)(C)C)C([H])=C1,0.2,,,,,,,,,,,,,
[H]C1=CC(OC2=CC=C(C=C2)C2(OC(=O)C3=CC=CC=C23)C2=CC=C(OC3=CC=C(C([H])=C3)N3C(=O)C4=C(C=C(C=C4)C(C4=CC5=C(C=C4)C(=O)N(*)C5=O)(C(F)(F)F)C(F)(F)F)C3=O)C=C2)=CC=C1*,0.232,,,,,,,,,,,,,
[H]C1=CC2=C(C=C1)C1=CC=C(C=C1C2(C)C)C(*)=C(*)C1=CC(F)=C(F)C=C1,0.069,,,,,,,,,,,,,
[H]C1=CC2=C(C=C1)C1=CC=C(C=C1C2(C)C)C(*)=C(*)C1=CC(F)=CC(F)=C1,0.08,,,,,,,,,,,,,
[H]C1=CC2=C(C=C1)C1=CC=C(C=C1C2(C)C)C(*)=C(*)C1=CC(F)=CC=C1,0.087,,,,,,,,,,,,,
[H]C1=CC2=C(C=C1)C1=CC=C(C=C1C2(C)C)C(*)=C(*)C1=CC=C(Br)C=C1,0.072,,,,,,,,,,,,,
[H]C1=CC2=C(C=C1)C1=CC=C(C=C1C2(C)C)C(*)=C(*)C1=CC=C(C=C1)C(C)(C)C,0.121,,,,,,,,,,,,,
[H]C1=CC2=C(C=C1)C1=CC=C(C=C1C2(C)C)C(*)=C(*)C1=CC=C(F)C=C1,0.106,,,,,,,,,,,,,
[H]C1=CC2=C(C=C1)C1=CC=C(C=C1C2(C)C)C(*)=C(*)C1=CC=CC=C1,0.109,,,,,,,,,,,,,
[H]C1=CC=C(C=C1)N(C1=CC=C(*)C=C1)C1=CC=C(C=C1)N1C(=O)C2=C(C=C(C=C2)C(C2=CC=C3C(=O)N(*)C(=O)C3=C2)(C(F)(F)F)C(F)(F)F)C1=O,0.201,6.49,3.287,,,,,8.437,,0.283,,,,
[H]C1CC(*)CC1\C=C\*,0.273,5.521,2.062,,,,,5.501,,0.334,,,,
[H]N(*)C(=O)C1=CC=C(C=C1)C(C1=CC=C(C=C1)C(=O)N([H])C1=C(C)C2=C(C=C1C)C1C3=C(C=CC=C3)C2C2=C1C=C(C)C(*)=C2C)(C(F)(F)F)C(F)(F)F,0.162,,,,,,,,,,,,,