ligands/resnick_london_2019_ligands.csv

Compounds,Avg_k_M^-1*S^-1,SMILES,HB-2_Cells_Viability%,CCD841_Cells_Viability%,HEK293_Cells_Viability%,Avg_%NNMT_activity,NV3CP,BSA,K-Ras_G12C,NNMT,NUDT7,OTUB2,PBP_R504C,PCAF,QSOX1,USP8,NV3CP_DL,BSA_DL,K-Ras_G12C_DL,NNMT_DL,NUDT7_DL,OTUB2_DL,PBP_R504C_DL,PCAF_DL,QSOX1_DL,USP8_DL,Original_NUDT7,Repeat_5_per_well_NUDT7,Repeat_1_per_well_NUDT7
PCM-0102938,1.38E-07,COc1ccc(C2CCCN2C(=O)CCl)cc1,12,24.3,6.4,27.75074,0,0,0,0,1,0,0,0,0,0.18,0,0,0,0,0,0,0,0,0,0,1,0.86,1
PCM-0102964,-1.34E-09,C=CC(=O)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1,101.9,102.6,87.2,31.36487,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102731,9.36E-09,C=CC(=O)NC1CCN(c2ccccc2C(F)(F)F)C1,100.2,103.5,69.7,35.28246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102135,8.65E-09,O=C(CCl)Nc1ccccc1N1CCCC1,98.5,95,91.3,36.48339,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102169,1.18E-07,Cl.O=C(CCl)N1CCN(Cc2ccc(Br)s2)CC1,8.8,33,8.6,36.85706,0,0,0.43,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102892,3.26E-08,N#Cc1ccc(C(=O)NNC(=O)CCl)cc1,86.2,85.9,102.8,46.15551,0,0,0,0,0,0.14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102389,2.19E-07,O=C(Nc1ccccc1O)C1CCN(C(=O)CCl)CC1,35.7,63,16,46.7093,0,0,0.12,0,0.1,0.14,0,0,0,0.13,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102386,1.57E-07,O=C(CCl)N1CCN(Cc2ccc3c(c2)OCCO3)CC1,42.2,75.9,39.1,47.37053,0,0,0.15,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102571,1.18E-08,C=CC(=O)N1CCCC1C1COCCC1(C)O,106.8,107,104.1,48.50473333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102730,8.14E-09,C=CC(=O)N1CCCn2c(cc3ccccc32)C1,103.8,92.2,85,48.59818,0.14,0,0,0,0,0.18,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102718,5.52E-09,C=CC(=O)N1Cc2ccc(S(=O)(=O)N(C)C)cc2C1,97.4,99.7,73.6,49.62607,0,0.3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102604,7.27E-09,C=CC(=O)N1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1,74.6,121.5,91.5,51.16035,0,0,0.31,0,0,0,0,0,0,0.26,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102813,8.17E-08,C#Cc1cccc(NC(=O)NC(=O)CCl)c1,74.1,82.2,73.2,52.09004,0,0,0,0,0.13,0.14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102767,2.87E-08,C=CC(=O)N1CCCc2c([nH]c3c(F)cccc23)C1,89.2,96.6,96,52.97174,0,0.1,0,0,0,0,0,0,0,0.15,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102675,6.17E-09,C=CC(=O)N1CCCCC1c1cnn(C)c1,95.7,103.1,88.5,57.30527,0,0,0,0,0.1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102925,1.17E-08,C=CC(=O)N1CCC(Oc2cnc3ccccc3n2)CC1,107.3,101.5,86.8,58.44304,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102752,1.83E-08,C=CC(=O)N(C)CC1CCn2ccnc2C1,97.7,121.8,88.4,61.7797,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102530,5.02E-09,C=CC(=O)N1CCC(c2nc3cccc(C)c3o2)CC1,107.7,100.9,94,62.28799,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102489,1.25E-08,C=CC(=O)N1CCCC1c1cccc2c1OCCO2,96.3,99.1,89.9,63.4154,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102883,6.06E-08,C=CC(=O)NC(=O)Nc1ccccc1,5.4,17.8,4,63.48585,0.52,0,0.18,0,0,0,0.47,0,0.28,0.44,1,0,0,0,0,0,0,0,0,0,,,
PCM-0102950,2.48E-08,Cl.O=C(CCl)NCc1ccccn1,100.4,109.3,97.4,68.99338,-1,0,0.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102673,6.65E-09,C=CC(=O)N1CCC2C(CCCN2Cc2ccccc2)C1,101.6,115.8,85,70.01226287,0.14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103003,6.28E-09,C=CC(=O)N1CCCN(C(=O)c2cc(Cl)cn2C)CC1,105.4,100.9,96.7,70.39504,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PCM-0102269,1.89E-07,Cl.O=C(CCl)N1CCN(Cc2cccc(Cl)c2)CC1,6.3,24.2,7.9,70.65869,0.24,0,0.28,0,0,0.19,0,0,0,0,1,0,0,0,0,0,0,0,0,0,,,
PCM-0102909,-8.43E-10,C=CC(=O)N1CCCC(Cc2nnc3ccccn23)C1,101,87.9,108.4,70.82697,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102640,7.53E-09,C=CC(=O)N1CCc2sccc2C1c1cccs1,97.9,115.1,98.7,71.65337,0.18,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102681,3.55E-09,C=CC(=O)N1CCCC1C(=O)Nc1nc2ccccc2s1,95.7,114.7,79.7,73.76612,0,0,0.12,0,0,0,0,0,0,0.18,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102336,1.63E-07,O=C(CCl)Nc1ccnn1C1CCCC1,41.3,60.4,7.7,75.05658,0.14,0,0,0,0,0.19,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102490,6.02E-09,C=CC(=O)N1CCNC(=O)C1c1c(F)cccc1Cl,98.5,95.5,103.8,75.19701,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102373,1.28E-07,Cl.O=C(CCl)N1CCN(c2ccccc2F)CC1,55.8,79.7,64.3,75.73391,0.31,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,,,
PCM-0102687,-2.04E-09,C=CC(=O)N1CC(c2ccccc2)C2COCCC21,102.6,104.9,114,75.7934,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102531,5.26E-09,C=CC(=O)N1CCN(C(=O)Cc2c(C)noc2C)CC1,106,106.2,91.3,76.85541,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102639,1.07E-08,C=CC(=O)NC1(c2nnc3n2CCCC3)CCC1,101,131.4,122.7,77.3185,0.14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102527,8.21E-09,C=CC(=O)N1CCCC(c2ncc(C(F)(F)F)[nH]2)C1,98.6,129.2,108.9,77.98807,0,0.09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102611,2.12E-09,C=CC(=O)N1CC(C)(C)C1c1cccs1,107.3,95.8,71.3,78.29156,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102944,3.99E-08,Cc1nc(C2(NC(=O)CCl)CCCCCC2)no1,102.8,112.7,129.4,80.26205,0,0,0,0,0,0,0,0,0,0.12,0,0,0,0,0,0,0,0,0,1,,,
PCM-0103075,5.98E-08,Cc1ccsc1CNC(=O)CCl,96.1,76.7,83.8,81.28754,0,0.21,0,0,0,0.55,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.1
PCM-0102708,1.45E-07,Cc1ccc(Cn2ccsc2=NC(=O)CCl)cc1,36,3,7.9,82.68262,0.56,0,0,0,0.09,0,0,0,0,0.16,1,0,0,0,0,0,0,0,0,0,,,
PCM-0102952,1.21E-08,C=CC(=O)NCC1CCCc2sc(C)nc21,97.6,113.5,95.2,82.83612,0.14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102714,8.32E-08,CN(CC1CC1)C(=O)CCl,97,84.8,88.3,83.16718,0.09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102397,1.96E-07,Cl.O=C(CCl)N1CCN(Cc2ccc3c(c2)OCO3)CC1,20.7,67.3,31.7,83.32306,-1,0,0.38,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103081,1.68E-07,CN(Cc1cc(Br)cs1)C(=O)CCl,5.1,45.5,11.9,83.89707,-1,0,0.12,0,0,0,0.1,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102309,2.01E-07,CN1C(=O)c2ccc(NC(=O)CCl)cc2C1=O,52.5,61.2,67.2,83.92335,0.22,0,0.16,0,0.12,0.19,0,0,0,0.29,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102370,1.30E-07,COc1ccc(Cl)cc1NC(=O)CCl,3.7,34.6,3.3,84.37813,0.22,0,0,0,0.23,0.18,0,0,0,0.11,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102791,4.77E-09,COC(=O)NC(=O)CCl,105.7,122.6,94.3,85.37119,0,0,0,0,0,0.09,0,0,0,-1,0,0,0,0,0,1,0,0,0,0,,,
PCM-0102720,6.53E-09,C=CC(=O)NCC1(O)CCCC(C(F)(F)F)C1,93.2,107,105.7,85.76733,0.08,0,0,0,0,0.08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102989,6.36E-09,C=CC(=O)N1CCC(C(=O)c2cccs2)CC1,97.7,97.9,102,85.87951,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102486,1.22E-08,C=CC(=O)NC(C)C(=O)N1CCc2ccccc21,99.8,89.6,99,86.47151,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.14,0
PCM-0102967,-1.63E-09,C=CC(=O)Nc1ccccc1C(=O)OC,90.2,81,68.8,87.31683,-1,0,0,0,0.51,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102484,4.38E-09,C=CC(=O)N(C)C1CCCCNC1=O,95.7,100.7,121.5,87.92115,0,0,0,0,0,0.11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103066,1.14E-07,Cc1cc(NC(=O)CCl)n(-c2ccccc2F)n1,64,65.3,36,90.003846,-1,0,0,0,0,0.44,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102970,2.26E-07,O=C(CCl)N1CCN(C(=O)C2CC2)CC1,83.8,72.5,66.6,90.265763,0,-1,0,0,0.07,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102281,2.42E-07,O=C(CCl)N1CCN(S(=O)(=O)c2ccccc2F)CC1,7.1,62.6,9.5,90.548002,0.16,0,0.15,0,0.14,0,0,0,0,0.12,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102684,3.70E-09,C=CC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1,99.9,103,104.7,90.576058,0,0,0,0,0.08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102962,2.25E-07,Cc1ccc(C(=O)N2CCN(C(=O)CCl)CC2)cc1,30.1,75.3,15.6,91.809031,0.22,0,0.39,0,0,0,0,0,0,0.11,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102092,1.19E-07,O=C(CCl)NC(=O)NCC1COc2ccccc2O1,49,33.4,7.6,91.866045,0,0,0.09,0,0,0,0,0,0,0.12,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103072,1.53E-07,O=C(CCl)Nc1cccc(C(=O)N2CCSCC2)c1,34.5,55.2,7.8,92.142127,0,0,0,0,0,0,0,0,0,0.36,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102435,-1.27E-08,C=CC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1,96.3,93.3,85.7,92.222041,0,0,0,0,0,0,0.1,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102483,7.51E-09,C=CC(=O)N(C)C1CCCc2nc(CC)sc21,98.1,103,97.3,93.037649,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102573,8.13E-09,C=CC(=O)Nc1cccc(C(F)(F)F)c1,102.6,105.3,107.9,93.154554,0,0,0,0,0,0,0,0,0,0.39,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102467,6.09E-09,C=CC(=O)N1CCC(CN)CC1.Cl,95.4,105.1,91,93.188191,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102375,7.16E-08,O=C(CCl)Nc1ccccc1N1CCCC1=O,79.6,78,51.9,93.335781,0,0,0,0,0,0.13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102810,1.45E-08,C=CC(=O)N1CCC(c2noc(C3CC3)n2)CC1,103.1,102.7,94.1,93.404257,0.13,0,0,0,0.06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102795,1.01E-08,O=C(CCl)NC(=O)c1ccc[nH]1,96.2,100.5,148.6,93.664172,0.79,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102511,5.59E-08,Cc1ccc([N+](=O)[O-])c(NC(=O)CCl)c1C,91.5,75.4,56.3,93.829906,0,0,0,0,0.15,0.07,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103009,2.95E-08,CCc1sc(C(=O)NNC(=O)CCl)cc1C,70.4,68.3,73.2,94.026575,0.18,0,0,0,0,1,0,0,0,0.09,1,0,0,0,0,0,0,0,0,0,,,
PCM-0102972,1.83E-07,O=C(CCl)N1CCC(C(=O)N2CCCCC2)CC1,84.6,106.5,76.6,94.352438,0,0,0,0,0,0.08,0,0,0,0.1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102475,5.75E-09,C=CC(=O)N1CCC2(CCN(C)C2=O)CC1,94.8,100.3,85.3,94.724202,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102404,8.96E-08,O=C(CCl)NC1C2CC3CC(C2)CC1C3,63.3,68.9,90.6,95.142968,0.14,0,0,0,0,0.33,0,0,0,0.08,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103077,9.03E-08,O=C(CCl)Nc1ccon1,77.3,61.1,64.8,95.28868,0,0,0,0,0,0.3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102982,6.43E-09,O=C(CCl)N1CCCC1=O,111.1,101,113.6,95.380157,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102984,7.65E-08,CN(Cc1ccccc1)C(=O)CCl,78.6,91.6,55.2,95.736253,0,0,0,0,0.11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102931,8.74E-08,O=C(CCl)NC1CCN(C(=O)C2CCCCC2)CC1,82.9,78.6,118.4,95.754123,0.21,0,0,0,0,0.09,0,0,0,0.13,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102271,3.84E-09,C=CC(=O)Nc1ccc(C(=O)O)cc1,111,94.2,95.1,95.8006,0,0,0,0,0,0,0,0,0,0.11,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103006,1.65E-07,Cl.O=C(CCl)N1CCN(Cc2ccco2)CC1,88.6,85,65.7,95.870528,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102932,7.42E-08,CC(=O)N1CCC(NC(=O)CCl)CC1,95.1,85.9,88,95.898108,-1,0,0,0,0,0.07,0,0,0.11,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102431,6.23E-08,Cc1cc(CNC(=O)CCl)cc(C)c1O,85.7,96.3,84.6,96.005903,0.14,0,0,0,0,0.64,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102958,9.43E-08,CN(Cc1ccc2c(c1)OCCO2)C(=O)CCl,74.4,81,52,96.909785,0.13,0,0,0,0.27,0.09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102618,4.07E-08,CCc1cccc(C)c1NC(=O)CCl,98.3,105.5,101,97.060778,0,0,0,0,0.11,0,0,0,0,0.14,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102488,5.13E-09,C=CC(=O)N1CCC(CN2C(=O)CNC2=O)C1,96.6,113.6,100.1,97.325573,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103002,9.38E-08,O=C(CCl)Nc1ccc(F)cc1,68.5,71.8,35.5,97.573874,0.29,0,0,0,0,0.3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102315,7.41E-08,CC1(C)C2CCC1(C)C(NC(=O)CCl)C2,84.4,95,75.9,97.738345,0,0.12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PCM-0102653,4.75E-08,Cl.O=C(CCl)Nc1cccnc1,84.6,85.6,93.3,97.820148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102632,1.92E-09,CN(C)C(=O)CN(C)C(=O)CCl,101.5,113.8,89.7,97.933499,0,0,0,0,0,0.14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102597,1.54E-08,C=CC(=O)N1CCNC(=O)C1c1cccs1,103.2,112.7,81,99.1428332,0,0,0.7,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102304,6.82E-08,CN(C)C(=O)CN1CCN(C(=O)CCl)CC1.Cl,106.9,114,128,99.2029377,0,0,0.08,0,0,0,0,0,0,0.44,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102876,1.69E-07,Cc1ccccc1CN1CCN(C(=O)CCl)CC1.Cl,31.1,69.2,38.1,99.2645313,-1,0,0.16,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102250,7.40E-08,O=C(CCl)NC1CCCC1,71.9,69.1,58.7,99.6388229,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102272,1.40E-07,CC(C)N(C(=O)CCl)c1ccccc1,58.6,17.7,16,99.91671979,0.21,0,0,0,0.22,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103065,2.61E-08,O=C(CCl)NCC1CCC1,103.9,108.4,103.5,100.171541,0.12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102983,3.14E-08,Cc1nc(C2(NC(=O)CCl)CCCCC2)no1,102,112,99.7,100.6348067,0,0,0,0,0.1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102867,4.19E-08,CC1CCCN(C(=O)CCl)C1,102.4,104,103.1,100.8494206,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102991,1.22E-08,C=CC(=O)NC1CCCN(c2cc(C)nn2C)C1=O,98.2,112.9,94.5,100.8515731,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103046,7.06E-08,CC(C)(C)n1ncc2c1CCCC2NC(=O)CCl.Cl,81.5,90.9,89.3,100.8544512,0,0,0,0,0,0.36,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102903,3.80E-07,NS(=O)(=O)c1ccccc1NC(=O)CCl,65.4,55.2,69.7,100.9721698,0,0,0,0,0.29,0.14,0,0,0,0,0,0,0,0,1,0,0,0,0,0,,,
PCM-0103023,3.55E-08,CC(C)N(C(=O)CCl)C(C)C,101.7,106.2,110.3,101.342745,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102416,9.74E-09,O=C(CCl)Nc1ccccc1N1CCOCC1,99.5,90.7,112.6,101.844691,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102936,5.78E-08,N#Cc1cccc(CNC(=O)CCl)c1,97.1,94.9,83.1,101.896611,0.08,0,0,0,0,0.32,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102939,9.08E-08,CN(Cc1ccc(F)cc1)C(=O)CCl,34.8,69.2,42.7,101.930061,0.15,0,0,0,0,0.1,0,0,0,0.15,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102773,7.12E-08,CC(C)(C)C(NC(=O)CCl)c1cccs1,86.9,72.8,63.6,102.600457,0.19,0,0,0,0.09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102318,7.05E-08,O=C(CCl)NC1CCCCCCC1,86.6,92.1,66.1,102.689732,-1,0,0.23,0,0,-1,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102978,6.44E-08,COC(=O)C1CCN(C(=O)CCl)CC1,100,110.2,99.4,102.731691,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102517,4.54E-09,C=CC(=O)N1CCCCC1c1ncon1,100.7,120.3,91.3,102.754291,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102658,8.50E-08,O=C(CCl)Nc1ccccc1,72,67,56.1,102.786465,0,0,0,0,0,0,0,0,0,0.09,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102757,1.64E-08,O=C(CCl)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O,1.4,58.4,22.5,102.853777,-1,0,0,0,0.12,-1,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102267,2.91E-07,CNC(=O)c1ccc(NC(=O)CCl)cc1,20,32.5,2.2,102.93752,0.14,0,0,0,0,0,0,0,0,0.14,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102943,1.15E-08,O=C(CCl)N1CCOC1=O,101.3,108.9,108.3,102.96878,0.09,0,0,0,0.08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102866,1.52E-07,O=C(CCl)Nc1ccc2[nH]c(=O)[nH]c2c1,77.3,73.7,27.5,103.771323,0,0,0.09,0,0,0.3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102751,8.11E-08,O=C(CCl)N1CCCCCC1,99.5,85.6,73.7,103.809016,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102241,2.35E-07,O=C(CCl)N1CCN(S(=O)(=O)c2cccs2)CC1,8.9,49.1,8.9,104.054489,0.15,0,0,0,0.12,0,0,0,0,0.11,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102613,4.34E-09,C=CC(=O)N1CCC(C(=O)[O-])CC1.[Na+],98.2,124.6,114.3,104.119411,0.24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102462,5.40E-09,O=C(CCl)NC(=O)C1COc2ccccc2O1,102.9,101.7,99.1,104.280565,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102660,6.36E-08,Cc1ccc(CNC(=O)CCl)cc1,87.4,80.3,93.6,104.516353,0,0,0,0,0,0.63,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102567,9.22E-09,C=CC(=O)N1CCCC(c2nncn2C2CC2)C1,102.5,111.8,113.1,104.753429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102666,2.88E-08,CC1CCC2(CC1)NC(=O)N(NC(=O)CCl)C2=O,97.3,79.9,99.9,105.069807,0.14,0,0,0,0,0,0,0,0,0.15,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102407,2.00E-07,CS(=O)(=O)c1cccc(NC(=O)CCl)c1,26.4,47,1.4,105.257441,0,0,0.15,0,0,0.33,0,0,0,0,0,0,0,0,0,1,0,0,0,0,,,
PCM-0102717,4.88E-09,C=CC(=O)N1CC(=O)NC2CCCCC21,100.3,105,111.7,105.42589,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102149,1.04E-07,O=C(CCl)NCc1ccccc1F,86.4,63.7,71.3,105.582477,0.17,0,0,0,0,0.62,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102574,4.66E-09,COc1ccccc1C(=O)NC(=O)CCl,104.1,127.4,117.6,105.790972,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102993,9.81E-08,N#CC1(NC(=O)CCl)CCCCC1,87.6,83.3,66,106.008589,0,0,0,0,0.08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102139,1.56E-07,O=C1CN(C(=O)CCl)C2(CCCCC2)C(=O)N1,98.9,95.8,96.3,106.093446,0.14,-1,0.15,0,0.22,0.05,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102138,1.20E-07,O=C(CCl)NC1CCS(=O)(=O)C1,92.6,84.2,113.1,106.189578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102152,8.31E-08,O=C(CCl)Nc1ccccc1Cl,75.4,78.5,76.1,106.631507,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102902,5.28E-09,O=C(CCl)NC(=O)Cc1ccccc1,103.8,116.8,115.7,106.639492,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102842,4.38E-08,O=C(CCl)N=c1sccn1Cc1cccc2ccccc12,8.4,4.2,5.2,106.660928,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102605,6.33E-10,C=CC(=O)N1CCn2nc(C)nc2C1,101.5,103.5,88.4,106.970285,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102917,1.94E-09,C=CC(=O)Nc1cc(F)ccc1C,102.9,105.9,76.3,106.98878,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102365,3.59E-08,CN(C)C(=O)CNC(=O)CCl,103,100.4,95.6,107.21298,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102922,1.06E-08,C=CC(=O)Nc1cccc(F)c1,99.4,99.1,90.4,107.240811,0,0.19,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102136,1.66E-07,N#CC1(NC(=O)CCl)CCCC1,70,61.1,44,107.72684,0.49,0,0,0,0,-1,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102651,1.05E-08,C=CC(=O)N1CCC(CS(C)(=O)=O)CC1,104.6,108.2,100,107.767397,0.15,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102608,7.58E-09,C=CC(=O)NC1(C(N)=O)CCCOC1,107,106.9,117.7,107.916638,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102476,3.90E-08,O=C(CCl)N1CCNCC1.O=C(O)C(F)(F)F,100.9,100.4,92.4,107.954293,0.13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102811,1.16E-07,C#CCN1CCN(C(=O)CCl)CC1.Cl,92.5,84.9,72.2,107.979984,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102113,1.87E-07,CNC(=O)c1cccc(NC(=O)CCl)c1,25.2,55,1.7,108.125459,0,0,0,0,0,0,0,0,0,0.15,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103064,4.39E-08,O=C(CCl)N(C1CCCC1)C1CC1,101.7,87.8,74,108.228536,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102829,3.15E-08,Cc1ccccc1CC(=O)NNC(=O)CCl,90.9,83.9,103.5,108.3313,0,0,0,0,0,0.3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102861,3.52E-08,CCOC(=O)N1CCN(C(=O)CCl)CC1,113.9,108.6,82.6,108.394658,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102802,6.09E-08,O=C(CCl)NC1c2ccccc2-c2ccccc21,61.8,82.7,58.9,108.856484,0.1,0,0,0,0.19,0.16,0,0,0,0.09,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102400,7.32E-08,O=C(CCl)Nc1ccc(C(=O)O)cc1,84.1,72.5,111.9,108.887794,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102310,4.99E-08,CC(=O)NNC(=O)CCl,96.1,90.3,84.1,108.894527,0,0,0.08,0,0,0.18,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102274,8.21E-08,O=C(CCl)Nc1cccnc1Cl,84.4,88.8,81.4,109.028614,0.3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102904,7.80E-09,COCC(=O)NC(=O)CCl,100.8,115.9,105.2,109.213795,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102128,7.56E-08,CC(NC(=O)CCl)c1ccccc1,84.4,85.5,84.3,109.249447,0,0,0,0,0.13,0.42,0.1,0,0,0.44,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102514,8.43E-08,O=C(CCl)N1CCCCC1,92.8,88.1,90.8,109.33309,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102728,7.01E-09,C=CC(=O)N1CC(OC(=O)NC(C)C)C1,99.7,108.3,110.3,109.637329,0,0,0,0,0,0.18,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102507,1.02E-08,C=CC(=O)N1CCCCC1C(=O)O,101.2,109.2,95.6,109.759089,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102749,2.60E-08,O=C(CCl)N1CCOCC1,98.7,108.9,97.6,109.958499,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102755,2.38E-07,O=C(CCl)N(c1ccccc1)C1CCS(=O)(=O)C1,28.5,20.4,16.7,110.05612,0,0,0.2,0,0.17,0,0,0,0,0.27,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102534,6.68E-08,CNC(=O)NC(=O)CCl,97.9,94.3,92.2,110.53459,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102547,7.00E-09,C=CC(=O)Nc1nc(C)cc(C)n1,98.2,100.4,132.7,110.74782,0,0,0,0,0.34,0,0,0,0,0.11,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102228,1.35E-07,CC(NC(=O)CCl)c1ccc(F)cc1,84.6,83.2,63.8,111.11233,0.2,0,0.08,0,0.07,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103047,5.96E-08,O=C(CCl)NCc1cccc(F)c1,83.7,69.7,88.1,111.41383,0,0,0,0,0,0.43,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103050,7.38E-08,O=C(CCl)NCc1cc(Br)cs1,87,75.7,53.1,111.59328,-1,0,0,0,0.13,0.84,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102747,9.44E-08,CN(Cc1cccc(F)c1)C(=O)CCl,64.5,73.1,46.1,111.62285,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102816,7.79E-08,CC(NC(=O)CCl)c1ccc2c(c1)CC(=O)N2,94.8,86,74.8,111.86381,0,0,0,0,0.22,0.29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102198,1.12E-07,O=C(CCl)Nc1cccc(Cl)c1,9,41.1,1.8,112.03396,0.17,0,0,0,0.28,0.37,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103018,1.18E-07,CS(=O)(=O)c1ccc(F)c(NC(=O)CCl)c1,57.6,53.6,24.3,112.16832,-1,0,0,0,0,0.16,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102885,4.27E-08,O=C(CCl)NNC(=O)c1ccc([N+](=O)[O-])cc1,91,83.3,92.9,112.18251,0,0,0,0,0,0.21,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102807,1.93E-07,NS(=O)(=O)c1ccc(NC(=O)CCl)cc1,53.8,56.9,8,112.3886,0,0,0,0,0,0.29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102626,1.18E-07,CC(C)C(C)(C#N)NC(=O)CCl,96.4,82.1,89.9,112.38909,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102477,-9.73E-09,C=CC(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1,99.4,115.3,86.9,112.68432,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102559,7.42E-09,C=CC(=O)N1CCC2(CC1)CCS(=O)(=O)CC2,104.8,113.4,112.8,112.71835,0,0.12,0,0,0,0,0,0,0,0.3,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102871,7.80E-08,O=C(CCl)NC1CCOc2ccccc21,92.9,87.1,69.5,112.85197,0,0,0.12,0,0,0.44,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102763,5.34E-08,COc1ccc(Cl)cc1C(=O)NNC(=O)CCl,73.6,13.4,25.1,113.08573,0,0,0,0,0.1,0.64,0,0,0,0.13,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102521,7.72E-09,C=CC(=O)NC1CCC(c2nc(C)no2)CC1,101.1,115.5,83,113.15041,0,0,0,0,0,0.35,0,0,0,0,0,0,0,0,0,1,0,0,0,0,,,
PCM-0102754,4.43E-08,CC(NC(=O)CCl)C(=O)N(C)C,96,100.7,83.7,113.20604,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103060,1.23E-07,CC1(C)CCCN1C(=O)CCl,103.6,92.4,74.5,113.74012,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102800,-5.37E-10,C=CC(=O)Nc1cccc(OC)c1,94.8,116.4,81.3,113.76331,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102464,9.16E-09,O=C(CCl)NC(=O)c1ccccc1Br,104.4,113.2,106.8,114.05712,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102873,5.84E-08,COc1cc(=O)[nH]c(NC(=O)CCl)n1,99.9,100.3,113.8,114.0996,0,0.17,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102850,9.08E-09,Cc1ccc(S(=O)(=O)NC(=O)CCl)cc1,100.7,113.7,81.4,115.14505,0,0,0,0,0,0.13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102776,2.86E-08,O=C(CCl)NNC(=O)C1CC1,93.1,88.4,90.2,115.26472,0,0,0,0,0,0.23,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102781,1.86E-07,O=C(CCl)N1CCC(C(=O)N2CCCCCC2)CC1,90.6,92.5,63.8,115.51392,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102824,1.11E-08,O=C(CCl)NC(=O)CN1CCCC1=O,104.7,110.7,109.7,115.72294,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102479,1.70E-09,C=CC(=O)N1CCCC(n2nc(C)nc2C)C1,100.6,110.6,98.5,115.84578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102541,9.44E-09,C=CC(=O)NNC(=O)c1ccccc1,106.3,111.7,106.3,116.32969,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102854,1.04E-07,N#CC1(NC(=O)CCl)CCC1,90,81.1,93.1,117.48191,0,0,0,0,0.09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102798,5.39E-08,CC(NC(=O)CCl)c1ccco1,95.8,97.1,88.4,118.23188,-1,0,0,0,0.14,0.19,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102414,8.62E-09,O=C(CCl)NC(=O)c1ccccc1,102.4,100.7,91.5,118.71539,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102737,3.13E-08,Cc1cccc(C(=O)NNC(=O)CCl)c1,82.1,80,83.7,119.7264,0,0,0,0,0,0.54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102743,3.85E-08,CN(CC(=O)N1CCOCC1)C(=O)CCl,100.9,99,97.6,120.35601,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102424,1.66E-08,O=C(CCl)NN1C(=O)NC2(CCCCC2)C1=O,95,94.7,103.3,121.14687,0.11,0,0,0,0.06,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,,,
PCM-0102158,9.72E-08,O=C(CCl)Nc1ccccc1F,50,59,34.2,121.45491,0.57,0,0,0,0,0.51,0,0,0,0.08,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102095,4.78E-08,Cc1csc(CC(=O)NNC(=O)CCl)n1.Cl,93.3,79,81.9,121.81884,0,0,0,0,0,0.51,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102778,1.93E-08,O=C(CCl)Nc1nnn[nH]1,102.5,101.5,119.6,122.81221,0,0,0,0,0,0.3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102100,7.26E-09,O=C(CCl)NC(=O)NC1CCS(=O)(=O)C1,101.4,106.4,99.5,124.27195,0,0,0,0,0,0.09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102797,1.27E-07,O=C(CCl)Nc1cccc(Cl)c1Cl,44.2,72.2,40.9,125.43763,0,0,0,0,0.15,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102355,2.99E-08,CC(C)(C)c1ccc(C(=O)NNC(=O)CCl)cc1,48.1,44.3,53.7,126.81424,0,0,0,0,0,0.66,0,0,0,0.1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102886,1.09E-08,C=CC(=O)N1CCN(C2CCCN(C3CCOCC3)C2=O)CC1,106.5,105.2,104.2,127.24488,0.07,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102857,4.57E-08,N#Cc1cccc(C(=O)NNC(=O)CCl)c1,102.8,82.6,102.1,127.87026,0,0,0,0,0,0.41,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102459,1.05E-08,C=CC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1,103.4,98.8,110.5,195.59946,-1,0,0,0,0,0,0,0,0,0.12,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102563,2.69E-09,C=CC(=O)NCC1=CS(=O)(=O)c2ccccc21,102.3,110.5,82.9,97.349649,0,0,0.14,0.07,0,0.04,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102248,,,78.1,73.2,35.6,107.088892,,,,,,,,,,,0,1,0,0,0,0,0,0,0,0,,,
PCM-0102553,1.94E-08,C=CC(=O)N1CCC(c2nccn2C)C1,99.3,127.6,102.7,86.44518,0,0,0,0.11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102189,,,79.5,59.6,72.4,106.059771,,,,,,,,,,,1,0,0,0,0,0,0,0,0,0,,,
PCM-0102912,3.75E-08,COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CCl,97,90.6,106.1,108.959624,-1,0.11,0,0.11,0.17,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102686,4.95E-09,C=CC(=O)Nc1cc(CC(C)(C)C)nn1C,102.4,143.9,75.3,46.35192,0.13,0,0.14,0.12,0.15,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102460,7.69E-09,O=C(CCl)NC(=O)c1cccc([N+](=O)[O-])c1,99.8,95.9,116.9,66.24210763,-1,0,0,0.12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102170,5.22E-08,O=C(CCl)Nc1ccccc1C(F)(F)F,96.7,99.1,72.6,103.035905,0.09,0,0,0.12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102707,1.49E-07,Cc1ccccc1CN(C)C(=O)CCl,7.9,57,11.6,98.236474,0,0,0,0.13,0.13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102725,8.32E-09,C=CC(=O)N1CCCC(Oc2ncccc2F)C1,108.1,109.2,80.3,100.1684625,0,0,0,0.13,0,0.07,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103015,,,103.5,98.8,98.8,101.875588,,,,,,,,,,,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102736,1.29E-07,CC(C)(C)c1nnc(NC(=O)CCl)s1,80.1,67.5,81.5,109.250611,0,0,0,0.13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102818,1.94E-07,Cl.O=C(CCl)N1CCN(Cc2ccc(Cl)cc2)CC1,8.2,31.6,7.8,42.09221,0,0,0.63,0.14,0,0.17,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102610,-9.70E-10,C=CC(=O)N1CCCCC1c1ccc(C(=O)NC)n1C,105.7,111.6,99.3,77.92873,0,0,0,0.14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102145,1.36E-08,C=CC(=O)Nc1ccc(N2CCCC2=O)cc1,100.6,125.4,91.4,92.728004,0,0,0,0.14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102442,1.10E-08,C=CC(=O)N1CC(S(=O)(=O)CC)C1,94.8,100.2,77.7,100.4398146,0,0,0,0.14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102458,2.46E-08,O=C(CCl)Nc1nnc(-c2ccccc2)o1,97.2,98,103.8,122.70485,0,0,0,0.14,0,0.08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102297,3.13E-07,O=C(CCl)N1CCN(c2ccccc2Cl)CC1,2.3,52,3.9,73.8404,0.33,0,0.12,0.15,0.35,0,0,0,0,0.22,1,0,0,1,0,0,0,0,0,0,,,
PCM-0102617,8.76E-09,C=CC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1,103.5,105.2,94.2,75.19599,0,0,0,0.16,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103076,8.87E-09,O=C(CCl)Nc1nc(C2CC2)no1,104,102.1,97.9,99.8943324,0,0,0,0.16,0,0.11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102545,1.71E-07,COC(=O)c1cc(NC(=O)CCl)cn1C,54.5,65.4,12.7,101.554994,0,0,0,0.16,0,0.33,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102685,7.39E-09,C=CC(=O)N1CC=C(C(F)(F)F)CC1,103.2,105.3,98,77.11252,-1,0,0,0.17,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102655,1.38E-07,O=C(CCl)N1CCC(C(=O)N2CCCC2)CC1,94,78.5,87,99.6135948,0.13,0,0,0.17,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102744,9.50E-08,Cc1ccc(S(N)(=O)=O)cc1NC(=O)CCl,54.4,61.4,19.7,114.60834,0.19,0,0,0.17,0,0.1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102322,5.82E-08,COC(=O)c1c(NC(=O)CCl)sc(C)c1C,62.5,80,33.3,58.42707,0.22,0,0,0.18,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102560,-3.84E-10,C=CC(=O)N1CC2(CCCC2)c2cc3c(cc2C1C)OCCO3,101.8,109.9,115.6,51.15928,-1,0,0,0.19,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103036,2.18E-08,Cl.O=C(CCl)Nc1ccc(Cl)cn1,98.5,96.4,113.2,93.585258,-1,0.19,0,0.19,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102282,8.08E-08,CC(=O)c1ccccc1NC(=O)CCl,102.3,90.3,87.2,108.938113,0,0,0,0.19,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102421,2.80E-09,C=CC(=O)N1CCCc2cc(C(=O)O)ccc21,96.3,109.3,87.2,120.60554,0,0,0,0.19,0,0,0,0,0,0.12,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102461,1.01E-08,C=CC(=O)Nc1ccc(N(C)C)cc1,102.4,111.3,81.3,27.5332,0,0,0,0.2,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102253,7.05E-08,Cc1ccccc1CNC(=O)CCl,99.6,86.6,93.4,86.50055,0,0,0.7,0.2,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102905,1.81E-07,Cl.O=C(CCl)N1CCN(c2ccc(F)cc2)CC1,24.7,77,56.8,92.875443,0.31,0,0,0.2,0.1,0.07,0,0,0,-1,1,0,0,0,0,0,0,0,0,0,,,
PCM-0103078,7.01E-09,C=CC(=O)NCc1cc(F)c(C(F)(F)F)cc1F,101.4,96.9,88.4,97.508939,-1,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102616,1.19E-07,CC1CCCC(C)N1C(=O)CCl,71,88.1,57.9,98.01668,0.33,0,0,0.2,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,,,
PCM-0103048,1.38E-07,COC(=O)c1cccc(NC(=O)CCl)c1,17.7,34.7,5.1,99.2088943,0,0,0,0.2,0,0.87,0,0,0,0.07,0,0,0,1,0,0,0,0,0,0,,,
PCM-0102311,2.39E-07,O=C(CCl)Nc1cc2ccccc2cc1C(=O)O,105.3,100,108.8,99.4339073,0.27,0,0,0.2,0.17,0.1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102570,8.25E-09,C=CC(=O)NCc1ccc2c(c1)C(C)(C)C(=O)N2,106.9,109.7,92,86.9786,-1,0,0.17,0.21,0,-1,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102792,1.12E-07,CC1CCC(N(C(=O)CCl)C2CC2)CC1,11.4,8.8,6.8,92.394658,-1,0,0.17,0.21,0.13,-1,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102929,1.08E-07,COc1ccc(C2=CCN(C(=O)CCl)CC2)cc1,59.4,90.4,71,72.15758,-1,0,0.1,0.22,0.45,0,0,0,0,0.18,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102662,9.20E-08,O=C(CCl)Nc1ccc2c(c1)CCC2,16.3,56.2,4.7,99.0817277,0.13,0,0,0.22,0.12,0.14,0,0,0,0.4,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102526,7.81E-09,C=CC(=O)NC1CCCN(C(=O)OC)C1,100.9,105.9,90.7,104.074023,0,0,0.07,0.22,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102732,1.11E-08,C=CC(=O)N1CCc2ccccc21,93.4,105.2,72.5,105.24808,0,0,0,0.22,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102890,2.52E-07,O=C(CCl)Nc1ccc2c(c1)NC(=O)CO2,38.9,52,4.5,110.1044,0,0,0.14,0.22,0.08,0.32,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102513,8.43E-09,C=CC(=O)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1,95.7,99.4,111.4,112.00491,0,0,0.07,0.22,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102255,1.14E-07,CCOC(=O)N1CCC(NC(=O)CCl)CC1,61.8,61.3,74.2,89.99471,0,0,0,0.23,0,0.24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102997,1.29E-08,CC(NC(=O)NC(=O)CCl)C1CC2CCC1C2,98.1,116.5,91.4,98.458033,0,0,0,0.23,0,0.05,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103028,8.22E-08,Cc1ccc(NC(=O)CCl)c(F)c1,42.3,58.4,29,100.5557312,0,0.18,0,0.23,0,0.14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102946,7.82E-08,N#Cc1ccc(CNC(=O)CCl)cc1,85,74.8,88.1,101.083907,0.07,-1,0,0.23,0,0.35,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102179,1.86E-07,O=C(CCl)Nc1cccc(N2CCCC2=O)c1,20.8,52.4,1.8,103.614223,0,0,0,0.23,0.12,0.47,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102118,6.99E-08,O=C(CCl)NC12CC3CC(CC(C3)C1)C2,83,76.1,71.1,106.661841,0,0,0,0.23,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103055,9.93E-08,Cl.O=C(CCl)NC1CCN(C2CC2)CC1,98.2,83,92.7,113.60306,-1,0,0,0.23,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102814,1.79E-07,Cl.O=C(CCl)N1CCN(Cc2ccc3c(c2)CCO3)CC1,22.2,58.5,37.6,93.58208,-1,0.11,0,0.24,0,0,0,0,0,0.09,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102853,4.02E-08,CC(C)(C)CCNC(=O)CCl,99.7,91.6,101.9,111.06304,-1,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102302,1.61E-07,CC(C)(C)NC(=O)CN1CCN(C(=O)CCl)CC1.Cl,97,98.9,84.4,116.24472,0.26,0,0,0.24,0.08,0.13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102779,2.86E-08,O=C(CCl)Nc1nnc(CC(F)(F)F)o1,106,99.9,102.3,120.9392,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102469,1.71E-07,O=C(CCl)N=c1sccn1Cc1ccccc1,42.3,5.2,7,63.61812,-1,0,0,0.25,0,0.11,0,0,0,0.14,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102471,1.70E-07,N#CCN(C(=O)CCl)c1ccccc1,43.7,24.4,16,71.20822,0,0.18,0,0.25,0,0.19,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102156,1.82E-07,COc1ccc(NC(=O)CCl)cc1,24.7,42.7,2.4,105.634686,0.23,0,0,0.25,0,0.52,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102277,1.60E-07,Cl.O=C(CCl)N1CCN(Cc2ccc(Cl)s2)CC1,8.6,37.3,18.2,68.40685,0,0.11,0.35,0.26,0,0.09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102340,1.69E-07,Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1,19.6,42.4,15.3,72.81581,0.21,0,0.36,0.26,0,0.17,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102390,6.29E-08,Cc1ccccc1C(C)NC(=O)CCl,92.8,71.4,75.8,76.82635,0.12,0,0,0.26,0.1,0.26,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102148,2.26E-07,N#CCc1ccc(NC(=O)CCl)cc1,11.8,32.2,2.1,112.36504,0,0,0,0.27,0.1,0.43,0,0,0,0.12,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102372,2.85E-07,O=C(CCl)N(c1ccccc1)C1C=CS(=O)(=O)C1,24.1,31,11.2,74.07246,0.18,0,0.25,0.28,0.28,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102862,6.31E-08,O=C(CCl)NC1CCCC(C(F)(F)F)C1,95,106,84,82.38787,-1,0,0,0.29,0,0.14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102821,6.31E-08,Cc1cccc(CNC(=O)CCl)c1,99.7,80.7,87.5,109.212693,0,0,0,0.29,0,0.86,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102214,7.66E-08,Cc1cc(Cl)ccc1NC(=O)CCl,44.6,67.9,5.5,100.1727924,-1,0,0,0.3,0.08,0.39,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102679,8.88E-09,C=CC(=O)N(C)Cc1c(C)nc2sc(C)cn12,102.9,107.6,83.2,87.64464,0,0,0,0.32,0.06,0,0,0,0,0.4,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102712,1.32E-07,CN(CCC#N)C(=O)CCl,89.4,79.6,80.3,91.697032,0,0,0,0.32,0,0,0,0,0,0.25,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102314,1.49E-07,NC(=O)c1ccsc1NC(=O)CCl,58.5,74.4,33.7,93.735351,0,0,0,0.32,0.18,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102252,1.67E-07,N#Cc1oc2ccccc2c1NC(=O)CCl,3.8,34.7,3.4,62.17416,0,0,0,0.34,0.37,0.86,0,0,0,0.25,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102569,-1.50E-08,C=CC(=O)NCC1CCC2(CCOCC2)C1O,109.8,110.2,84.7,97.198869,0.18,0,0,0.36,0.11,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,,,
PCM-0102454,6.35E-09,COc1ccc(C(=O)NC(=O)CCl)cc1,97.1,102.8,96.7,103.425213,0.18,0,0,0.36,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102506,-3.51E-08,N#CSc1ccc(NC(=O)CCl)c(Cl)c1,20.6,33.4,51.9,30.63373333,0,0,0,0.38,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102799,8.30E-08,Cc1cc(Br)ccc1NC(=O)CCl,34.9,63.3,4.7,110.22147,0.46,0,0,0.39,0.24,0.61,0,0,0,0.11,1,0,0,0,0,0,0,0,0,0,,,
PCM-0102166,1.03E-07,CCc1nnc(NC(=O)CCl)s1,94.5,92.5,95.8,107.528431,0.14,0,0,0.42,0.21,0,0,0,0,0.1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102994,4.19E-08,Cc1cc(C)c(NC(=O)CCl)c(Cl)c1,94,73.1,74.1,102.663978,0,0,0,0.46,0.26,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102898,1.72E-07,CN(Cc1ccc(Cl)s1)C(=O)CCl,11,46.5,7.8,90.986841,0.28,0,0,0.47,0.29,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,,,
PCM-0102492,1.04E-07,O=C(CCl)N1CCC(Cc2ccccc2)CC1,87.3,93.8,111.4,75.88165,0.26,0,0,0.51,0.18,0.18,0,0,0,0.14,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102366,1.26E-07,O=C(CCl)Nc1cc([N+](=O)[O-])ccc1Cl,1.3,4.3,2.6,102.899891,0.23,0,0,0.51,0.2,0.27,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102429,1.13E-07,CC(C)c1cccc(NC(=O)CCl)c1,17.7,57.3,17.7,103.852189,0.33,0,0,0.52,0.1,0.23,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102401,1.47E-07,CN(Cc1ccc(Br)cc1)C(=O)CCl,6.8,32.1,7.3,38.39141,0.19,0,0.11,0.53,0.58,0,0,0,0,0.14,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102812,1.38E-07,O=C(CCl)Nc1ccc(N2CCCCC2)nc1,32.5,61.5,4.4,93.506296,-1,0,0.23,0.53,0.14,-1,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102337,1.19E-07,Cc1oc(NC(=O)CCl)c(C#N)c1C,56.5,56.4,82.9,94.707408,0,0,0,0.53,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102374,8.13E-08,CC(NC(=O)CCl)c1ccc(Br)cc1,63.8,73.1,50,87.4704,0.34,0,0,0.55,0.23,0.34,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102753,1.14E-07,O=C(CCl)NC(=O)NCc1cccs1,61.5,71.1,55.8,103.748285,-1,0,0,0.55,0,0.23,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102918,1.32E-07,CC(=O)c1oc2ccccc2c1NC(=O)CCl,42.4,65.3,36.8,103.161407,0,0,0,0.56,0.39,0,0,0,0,0.26,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102119,1.09E-07,Cc1ccc(NC(=O)NC(=O)CCl)cc1C,48.8,63.5,63.3,64.39569,0,0,0,0.57,0.09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103035,1.27E-07,CC(NC(=O)CCl)c1ccc(F)cc1F,77.6,78.2,66.4,103.464307,0.16,0,0,0.58,0.15,0.34,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102457,2.14E-07,O=C(CCl)Nc1nc2c(s1)CCC2,42.3,61,43.3,74.56931,-1,0,0,0.59,0.37,0,0,0,0,0.17,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102777,1.00E-07,O=C(CCl)N1CCc2ccc([N+](=O)[O-])cc21,1.7,2.6,17.9,93.300016,0,0,0.15,0.61,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102893,5.64E-08,O=C(CCl)Nc1cccc(Cl)c1N1CCOCC1,51.2,78,26.9,86.94169,0,0,0,0.62,0.14,0,0,0,0,0.22,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102382,1.35E-07,Cc1ccc(-c2cc(NC(=O)CCl)on2)cc1,42.7,54.6,52.2,72.83796,0.26,0,0.1,0.64,0.81,0.45,0,0,0,0.82,0,0,0,0,1,0,0,0,0,0,,,
PCM-0102432,8.46E-08,O=C(CCl)N1Cc2ccccc2C(c2ccccc2)C1,38.2,12.4,20.6,35.50918,0.46,0,0.15,0.65,0.33,0.17,0,0,0,0,1,0,0,0,0,0,0,0,0,0,,,
PCM-0102532,1.14E-07,CC(C)c1ccc(NC(=O)CCl)cc1,12.7,40.4,7.1,102.577707,0.28,0,0,0.68,0.18,0.33,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102910,1.02E-07,O=C(CCl)NC(=O)Nc1ccc2c(c1)OCCCO2,67.5,67.2,81,84.94777,0,0,0.13,0.69,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,,,
PCM-0102339,1.79E-07,Cc1ccc(NC(=O)CCl)cc1C,5.2,34.9,1.5,93.413918,0.28,0,0,0.7,0.18,0.82,0,0,0,0.19,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102330,1.69E-07,COc1ccc2nc(NC(=O)CCl)sc2c1,32.7,44.6,39.7,59.96373,0.35,0,0.14,0.71,1,0,0,0,0,0.76,1,0,0,0,1,0,0,0,0,1,,,
PCM-0102623,8.56E-08,Cc1ccc(NC(=O)NC(=O)CCl)cc1,69.1,82.5,80.6,76.71122,0,0,0,0.71,0.11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102784,1.09E-07,O=C(CCl)Nc1nc(-c2cccs2)cs1,39.8,84.9,41.3,93.55022,0.26,0,0,0.71,0.77,0.07,0.09,0,0,0.91,1,0,0,1,1,1,0,0,0,0,,,
PCM-0102692,1.16E-07,O=C(CCl)NC(=O)NC1CCCCC1,48.7,70.7,62.3,79.97874,0.14,0,0,0.76,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102290,1.83E-07,O=C(CCl)Nc1cccc(C(F)(F)F)c1,9.5,40,2.3,89.24092,0,0,0,0.77,0.12,0.26,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102955,8.04E-08,Cc1ccc(NC(=O)CCl)cc1Br,41.5,71.2,38.3,106.872113,0.16,0,0,0.78,0.27,0.14,0,0,0,0,1,0,0,0,0,0,0,0,0,0,,,
PCM-0102418,-1.07E-08,COC(=O)c1c(NC(=O)CCl)sc2c1CCC(C)C2,40.8,88.6,56.4,80.801,0,0,0,0.8,0.12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102652,1.55E-07,COc1ccc(NC(=O)CCl)cc1Cl,10,29.3,2.6,90.796279,0.21,0,0,0.83,0.12,0.24,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102746,6.90E-08,O=C(CCl)Nc1oncc1-c1ccccc1,72.1,71.8,73.3,109.482795,0.18,0,0,0.87,0,0.64,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103067,1.35E-07,COc1cccc2sc(NC(=O)CCl)nc12.Cl,32.2,48.9,47.6,70.23892,0.44,0,0.11,1,1,0.16,0,0,0,0,1,0,0,1,1,0,0,0,0,0,,,
PCM-0102496,1.10E-08,O=C(CCl)Nc1nc(-c2cc(F)ccc2F)cs1,3.9,35.7,2.2,101.894897,0.25,0,0,1,0.53,0,0,0,0,0.78,1,0,0,0,0,0,0,0,0,0,,,
PCM-0102371,2.01E-08,Cc1c(C#N)sc(NC(=O)CCl)c1C#N,94.3,102.1,87.5,-21.5804,0,-1,0.19,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102580,1.01E-07,N#Cc1c(NC(=O)CCl)sc2c1CCCC2,77.2,78,67.4,-5.1475,0.21,0,0,-1,0.72,0.1,0,0,0,0.12,0,0,0,0,1,0,0,0,0,0,0.72,0.63,1
PCM-0102452,1.04E-07,N#Cc1c(NC(=O)CCl)sc2c1CCC2,87.2,93.5,96.6,-4.3157,0,0,-1,-1,0,0.07,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102144,7.59E-08,O=C(CCl)Nc1nc2c(F)c(F)c(F)cc2s1,90.9,57.9,83.1,-3.1481,-1,0.12,0.09,-1,0.32,0,0,0,0,0.47,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103029,5.52E-08,CC1CCc2c(sc(NC(=O)CCl)c2C(N)=O)C1,21,63.2,18.6,2.609003333,0.15,0,-1,-1,0.09,0,0,0,0,0.16,1,0,0,0,0,0,0,0,0,0,,,
PCM-0102143,1.05E-10,COC(=O)c1c(NC(=O)CCl)sc2c1CCCC2,31.6,68.1,8.6,2.67673,0.5,0,0,-1,0.39,0.05,0,0,0,0,1,0,0,0,0,0,0,0,0,0,,,
PCM-0103068,1.41E-07,O=C(CCl)N1CCC(c2nc3ccccc3s2)CC1,17.4,46,15.4,13.17418667,0.29,0,0,-1,0.65,0,0,0,0,0.18,0,0,0,0,1,0,0,0,0,0,0.65,0.7,0.93
PCM-0102194,6.16E-08,O=C(CCl)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O,1.4,13.7,0.7,14.08593,-1,0,-1,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102420,7.16E-08,CC1CCc2c(sc(NC(=O)CCl)c2C#N)C1,50.9,81.6,43.4,14.08941,-1,0,0,-1,0.47,0,0,0,0,0.15,0,0,0,0,1,0,0,0,0,0,,,
PCM-0102182,4.85E-07,O=C(CCl)N1N=C(c2ccco2)CC1c1cccs1,14.9,18.2,2,14.88564,0,0,0,-1,-1,0,0,0,0,0.38,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102181,1.21E-07,O=C(CCl)Nc1cccc(-c2nnc3n2CCCCC3)c1,51.2,73.2,39.2,19.6923,0,0,0,-1,0,0,0,0,0,0.33,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102788,1.00E-07,Cc1nc(NC(=O)CCl)sc1-c1ccccc1,35.7,23.8,26.7,19.73089,0.22,0,0,-1,0.36,0.09,0,0,0,0.46,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102988,1.54E-07,CN(Cc1nc2ccccc2s1)C(=O)CCl,9.3,42.8,2.9,20.09742,0,0,0.11,-1,0.3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102466,-7.10E-08,N#CSc1ccc(NC(=O)CCl)c(Br)c1,23.2,29.3,48.4,20.16753333,0,0,0.09,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102287,1.62E-07,Cl.O=C(CCl)N1CCN(Cc2cccc3ccccc23)CC1,9.4,21.7,19.9,20.43029,-1,0,0.08,-1,0,0.29,0,0,0,0.17,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102979,1.27E-07,O=C(CCl)Nc1nc(-c2ccco2)cs1,44,89.7,66,20.76509,0,0,0,-1,0.25,-1,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102803,8.75E-08,O=C(CCl)NCc1nc2ccccc2s1,55.2,63.8,43,21.20936,0,0,0,-1,0,0.37,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102503,1.32E-08,C=CC(=O)N1CCn2c(cc3ccc(Cl)cc32)C1,98.2,102.3,74.4,21.30785,0,0,0,-1,0,0,0,0,0,0.46,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102254,1.64E-07,COc1ccc(N2CCN(C(=O)CCl)CC2)cc1,33.8,84.2,42.2,22.3219,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102835,1.40E-08,C=CC(=O)N1CCn2c(cc3c(Cl)cccc32)C1,83.4,91.6,69.7,25.22325,0.15,0,0.36,-1,0,-1,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102186,5.07E-08,CCN(C(=O)CCl)c1nc2ccccc2s1,69.7,16.1,69.9,27.09156,0,0,0,-1,0.33,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102491,1.01E-08,C=CC(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1,99.3,100.3,99.9,28.15161,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102508,3.46E-08,Cc1cc(SC#N)ccc1NC(=O)CCl,14.1,19.6,27.8,28.65833,0,0,0,-1,-1,0,0.11,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102301,8.58E-08,Cc1cc(N2CCCC2)ccc1NC(=O)CCl,47.9,78.6,40.7,30.49235,0,0,0,-1,0.24,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102360,1.05E-07,O=C(CCl)NC(=O)NC12CC3CC(CC(C3)C1)C2,3.1,73.7,46.7,30.6524,0.22,0,0,-1,0,0.12,0,0,0,0.1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102262,1.57E-07,Cc1nc(-c2cccc(NC(=O)CCl)c2)cs1,5.4,29.7,1.7,31.0743,0.23,0,0,-1,0,0.63,0,0,0,0.57,0,0,0,0,0,0,0,0,0,0,0,0,0.65
PCM-0102447,8.23E-09,C=CC(=O)N1C(C)CNCC1C.O=C(O)C(F)(F)F,103.9,109.2,105.1,31.81256,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102381,2.75E-07,N#CC(c1ccccc1)N1CCN(C(=O)CCl)CC1,46.7,66.2,31.9,31.88147,0,0,0.12,-1,0.11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102515,5.82E-09,C=CC(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1,88.8,105,73,33.0981,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102233,1.51E-07,O=C(CCl)Nc1nc(-c2c[nH]c3ccccc23)cs1,4.8,65,6.5,33.6624,0,0,-1,-1,0.26,0.25,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102670,1.68E-06,Cl.O=C(CCl)Nc1ccc(N2CCCC2)cc1,35,41.8,30.3,33.67896,0.1,0,0,-1,0,0.48,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102319,2.03E-07,O=C(CCl)NNc1ccccn1,105.5,105.7,94.6,35.11602,0.25,0,0.15,-1,0,-1,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102695,1.43E-08,C=CC(=O)Nc1nc2ccccc2s1,33.8,50.3,51.9,35.41145,0.2,0,0.38,-1,0.18,0,0.31,0,0,0.47,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102859,6.58E-07,CN(C)c1ccc(NC(=O)CCl)cc1.Cl,104.9,109.9,87,35.5028,0,0.22,0,-1,0,-1,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0
PCM-0102884,4.09E-08,C=CC(=O)Nc1nc(-c2ccc(O)cc2)cs1,75.2,80,65.4,35.51279,0.28,0,0.1,-1,-1,0,-1,0,0.31,0.52,0,0,0,0,0,0,0,0,0,1,,,
PCM-0102716,1.63E-07,COc1cccc(C2CCCN2C(=O)CCl)c1,7.6,34.4,3.6,35.87003,0,0,0,-1,0.68,0.09,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0.68,0.56,1
PCM-0102548,2.07E-08,N#CSc1ccc(NC(=O)CCl)c(F)c1,19.2,26.5,55.2,35.94129,0,0,0,-1,0,0.09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102168,1.43E-07,Cc1ccc(-c2csc(NC(=O)CCl)n2)cc1,5.5,67.9,5.5,36.52574,-1,0,0,-1,0.4,0,0,0,0,0.58,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103038,4.83E-08,O=C(CCl)N1CC=C(c2ccccc2)CC1,90.9,86.8,89.2,38.9389,0,0,0,-1,0,0.09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.11
PCM-0102294,2.02E-07,O=C(CCl)Nc1nc2ccc(F)cc2s1,53,62.7,76.7,39.40254,-1,0,0,-1,0.89,0,0,0,0,0.14,0,0,0,0,0,0,0,0,0,0,0.89,0.64,1
PCM-0102199,1.39E-07,O=C(CCl)Nc1ccc(N2CCCCCC2)cc1,7,31.8,4,40.60238,-1,0,0.26,-1,0.08,-1,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102357,1.88E-07,Cl.O=C(CCl)N1CCN(c2ccc(O)cc2)CC1,31,76.7,12.7,41.53948667,0,0,0,-1,0,0,0.22,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.22
PCM-0102710,1.48E-07,CC(c1ccccc1)N1CCN(C(=O)CCl)CC1.Cl,36.7,72.5,41.3,42.04726,-1,0,0.15,-1,0,0.12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102793,1.44E-07,CC(c1nc2ccccc2s1)N(C)C(=O)CCl,4.3,26.1,1,43.50391,0.29,0,0,-1,0,0.19,0,0,0,0,1,0,0,0,0,0,0,0,0,0,,,
PCM-0102379,2.83E-07,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1C,1.8,22.6,2.7,43.97173,0,0,0.22,-1,0.1,0,0,0,0,0.13,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102923,6.09E-08,CC(C)(C)OC(=O)N1CCCC(CNC(=O)CCl)C1,99.5,91,92.2,44.12607,0,0.13,0.19,-1,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102286,1.10E-07,N#Cc1c(NC(=O)CCl)sc2c1CCCCC2,44.3,73.9,39.9,44.27674,-1,0,0,-1,0.33,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102966,1.34E-08,C=CC(=O)N1CCC(n2ncc3ccccc32)C1,104.6,95.1,86.3,44.38586,0,0,0,-1,0,0.42,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102591,8.13E-07,O=C(CCl)N1CCc2[nH]c3ccccc3c2C1,7.3,61.8,7.5,46.37906,0.56,0,0.1,-1,0.22,-1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,,,
PCM-0102647,6.99E-09,C=CC(=O)N1CCCC(Cn2ccnn2)C1,100.6,101.5,102.1,46.66336333,0,0,0.2,-1,-1,0.09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102840,9.41E-09,CN(C)c1ccc(Cl)cc1NC(=O)CCl,29.2,85.9,63.2,46.83038,0.24,0,-1,-1,0.14,0.06,0,0.23,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103042,9.72E-09,C=CC(=O)N1CCCC(c2ncc3n2CCCC3)C1,95.6,108.3,97.1,47.58593,0,0.11,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102353,2.21E-07,Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c1,2.1,37.7,3.2,47.77589,0.4,0,0.24,-1,0.19,0.06,0,0,0,0.12,1,0,0,0,0,0,0,0,0,0,,,
PCM-0102283,8.31E-08,CC(=O)c1cccc(N2Cc3ccccc3C2=NC(=O)CCl)c1,99.6,99.5,75,48.07189,-1,0,0,-1,0,0,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0
PCM-0102586,1.63E-08,Cc1cc(SC#N)cc(C)c1NC(=O)CCl,27.3,14.2,51.6,48.1279,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102102,5.51E-07,Cc1ccc(C2=NN(C(=O)CCl)C(c3ccco3)C2)o1,9.4,12.7,1.6,48.12798,0.14,0,0,-1,0.2,0,0,0,0,0.19,0,0,0,0,0,0,0,0,0,1,,,
PCM-0102235,1.09E-07,CC1CCN(c2ccc(NC(=O)CCl)cc2)CC1.Cl,21.9,48.3,18.9,48.43985,0,0,0,-1,0,-1,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102638,4.98E-08,Cc1cc(N2CCN(C(=O)CCl)CC2)nc(C(C)C)n1,97.7,107,89.8,48.52892667,-1,0.11,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102150,3.39E-07,O=C(CCl)N1CCC(c2ccccc2)=N1,31.2,71.8,32.7,48.58584,0,0,-1,-1,0,0,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102380,2.06E-07,O=C(CCl)N1N=C(c2ccco2)CC1c1ccco1,55.7,63.4,40.4,49.75164,-1,0,0,-1,0.54,0,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0.54,0.64,0.84
PCM-0102689,4.81E-09,C=CC(=O)N1CCCC(c2nc(-c3cccc(F)c3)no2)C1,100.9,97.4,89.4,49.78284,0,0,0.09,-1,0,0,0,0,0,0.22,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102378,1.90E-07,O=C(CCl)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1,1.8,2.9,1.8,50.16547333,0.19,0,0.18,-1,0.14,0.05,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102425,1.69E-07,O=C(CCl)N1CCCC(c2nc3ccccc3s2)C1,4.1,3.5,9.4,50.24023,-1,0,0,-1,0.28,0,0,0,0,0.34,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102644,7.71E-09,C=CC(=O)NCC1CCN(C)c2ccccc21,106.3,98.5,73,50.56151,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102888,-5.86E-09,C=CC(=O)N1CCN(C(C)C)c2ccccc2C1,108.3,93.1,100.7,51.01804,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102968,1.10E-07,Cc1sc(NC(=O)CCl)c(C)c1C,16.1,57.3,2.3,51.09606,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.19
PCM-0102387,2.25E-07,Cl.O=C(CCl)N1CCN(Cc2ccccc2F)CC1,24,67.2,35.1,51.40425,0,0,0.09,-1,0,0.32,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102894,5.12E-08,CN(C(=O)CCl)c1nc2ccccc2s1,88.4,83.6,87.7,51.71009,0,0,0,-1,0.34,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102349,1.86E-07,CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCl,1.7,3.9,1.4,51.88456,0,0,0,-1,0.59,0,0,0,0,0.15,0,0,0,0,1,0,0,0,0,0,0.59,0.55,0.85
PCM-0102246,5.53E-08,Cc1cc(C)c2nc(NC(=O)CCl)sc2c1,51.6,79.8,67.3,52.47772,0.15,0,0,-1,0.83,0.14,0,0,0,0.85,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102295,4.82E-07,O=C(CCl)N1N=C(c2cccs2)CC1c1ccco1,5,7.9,1.4,52.87601,0,0,0,-1,0.46,0.06,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102226,1.84E-08,Cc1n[nH]c(=O)c2c(NC(=O)CCl)oc(C)c12,107.8,112.4,103.5,53.08347333,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102863,4.12E-09,Cn1cccc1C(=O)NC(=O)CCl,106,111.7,92.2,54.42672,0,0.2,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102678,1.39E-07,CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CCl,8.3,22,22,55.18366,0.4,0,0.13,-1,0.45,0,0.2,0,0,0,1,0,0,0,0,0,0,0,0,0,,,
PCM-0102846,5.65E-09,C=CC(=O)N=C1N=C2C=CC(I)=CN2Cc2ccccc21,92.6,87.7,76.9,55.67956,0,-1,0,-1,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102376,1.24E-07,O=C(CCl)NC(=O)Nc1ccccc1F,63.5,80.5,67.8,56.17328,-1,0,0,-1,0,0,0,0,0,0.1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102715,4.44E-07,C=CC(=O)N1CCN(c2nccc3sccc23)CC1,97.2,92.1,78.2,56.55403,0,0,0,-1,0,0,0,0,0,0.18,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102215,2.76E-07,Cc1cccc(N2CCN(C(=O)CCl)CC2)c1C,7.5,43.8,11.1,56.85439,0.15,0,0.19,-1,0.29,-1,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102296,1.75E-07,Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CCl,1.6,4.5,0.5,56.87221,0.23,0,0.58,-1,0.54,0.38,0,0,0,0.81,0,0,0,0,1,0,0,0,0,0,,,
PCM-0102525,-3.10E-09,C=CC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1,95.8,128.1,96.6,56.98539,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102612,9.15E-08,O=C(CCl)Nc1ccc(N2CCCCC2)cc1,41.7,55.2,57.2,57.2014,0,0,0,-1,0,0.37,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102650,9.78E-09,C=CC(=O)N1CCc2c([nH]c3ccccc23)C1,100.5,107.3,85.6,57.41995,0.12,0,0.21,-1,0.14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102633,4.38E-09,C=CC(=O)N1CCCC(c2nc(C(F)(F)F)cn2C)C1,99.9,118.4,105.8,57.49598,0,0,0,-1,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102343,2.82E-07,O=C(CCl)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1,1.4,14.3,2.6,57.81509,-1,0,0.33,-1,0.12,0,0,0,0,0.17,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102987,1.39E-07,CN(Cc1cccc(C(F)(F)F)c1)C(=O)CCl,5.3,45.2,6.7,57.8487,0,0,0,-1,0.09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.09,0.2,0.46
PCM-0102341,3.22E-07,N#CC(c1ccc(F)cc1)N1CCN(C(=O)CCl)CC1,28.6,60.3,8.6,58.84323,0,0,0.29,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102359,1.08E-08,CN(C(=O)CCl)C1(c2ccccc2Cl)CCCCC1=O,85.2,104.4,87.5,60.19949,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102636,1.89E-07,CN(Cc1cccs1)C(=O)CCl,11.3,57.7,7,60.42191,0,0,0.08,-1,0.17,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102293,1.65E-07,O=C(CCl)N1CCSC1c1ccccc1F,3.2,10.2,2.1,60.59643,0.36,0,0.08,-1,0.83,0.12,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0.83,0.93,1
PCM-0102661,8.79E-09,C=CC(=O)N1CCn2c(cc3cc(Cl)ccc32)C1,81.5,108.9,87.1,60.60802833,-1,0.18,0.16,-1,0,-1,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102927,1.52E-09,C=CC(=O)N1Cc2ccccc2OC(C)(C)C1,103.5,110.7,93.4,60.75979,0.36,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102188,7.97E-08,O=C(CCl)N1CCCc2cc([N+](=O)[O-])ccc21,19.6,32.3,46.6,60.76605,0.1,0,0,-1,0.09,0.12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103024,1.97E-07,O=C(CCl)N1CCc2sccc2C1c1ccccc1,4.6,3,1.9,61.03948,-1,0,0,-1,0.69,0,0,0,0,0.27,0,0,0,0,1,0,0,0,0,0,0.69,0.79,1
PCM-0102806,8.61E-10,C=CC(=O)N1CCN(c2cc(C)nc(C)n2)CC1,101,104.8,78.9,61.09096,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102175,1.87E-07,Cc1cc(NC(=O)CCl)ccc1N1CCCC1,10.2,45.1,2.9,61.62155,0,0.15,0,-1,0.13,0.39,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102266,8.05E-08,O=C(CCl)N1c2ccccc2OCC1c1ccccc1,56.8,57.5,52.1,61.71075,0.13,0,0,-1,0.11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102097,9.88E-08,O=C(CCl)Nc1cccc2ncccc12,49,51.3,27.9,61.98543,0,0,0,-1,0,0.42,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102621,4.85E-09,C=CC(=O)N1CCn2c(cc3ccccc32)C1,105.6,114.1,85.7,62.17504,0,0,0.16,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102698,1.31E-07,O=C(CCl)Nc1nc2ccccc2s1,64.2,77.5,65.6,62.75719,0,0,0,-1,0.83,0.07,0,0,0,0.41,0,0,0,0,1,0,0,0,0,0,0.83,0.85,1
PCM-0102942,1.52E-07,CN(CC12CC3CC(CC(C3)C1)C2)C(=O)CCl,7.8,6.7,2.4,62.88773,0.53,0,0.1,-1,0.26,0.1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,,,
PCM-0102631,5.08E-07,O=C(CCl)N1CC=C(c2c[nH]c3ccccc23)CC1,15.3,77.7,46.3,63.77923033,0,0,0.11,-1,-1,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103007,5.44E-08,O=C(CCl)NCC#Cc1ccccc1,78.1,84.1,59.4,63.8035,0,0,0.31,-1,-1,0.6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102185,1.90E-07,Cc1cccc(N2CCN(C(=O)CCl)CC2)c1.Cl,13.1,65.7,35.9,63.82488,0.21,0,0.09,-1,0.05,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102455,9.94E-09,C=CC(=O)Nc1sc2c(c1C#N)CCCC2,64.1,72.5,81.4,63.83048,0,0,0.05,-1,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0,1,,,
PCM-0102193,2.58E-07,O=C(CCl)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1,2.7,20.9,2.8,64.88231,0,0,0.31,-1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.38
PCM-0102388,2.12E-07,O=C(CCl)Nc1cc2[nH]c(=O)[nH]c2cc1Br,11.4,38.6,1.2,65.57708,0,0,0,-1,0,0.56,0,0,0,-1,0,0,0,0,0,1,0,0,0,0,,,
PCM-0102333,1.16E-07,O=C(CCl)NC(=O)Nc1ccc2c(c1)OCO2,83.2,98.4,82.6,65.60859,-1,0,0.22,-1,0.29,0.53,0,0,0,0,0,0,0,0,1,0,0,0,0,0,,,
PCM-0102332,1.23E-07,CC1CCCC(NC(=O)NC(=O)CCl)C1C,48.7,71,52.5,65.98689,0,0,0.15,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102582,1.50E-07,O=C(CCl)Nc1ccc(N2CCOCC2)cc1,74.9,79.5,57.2,66.08266,0,0,0,-1,0,0.54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102971,1.03E-07,CC(c1cc2ccccc2o1)N(C)C(=O)CCl,13.3,34.1,10.1,66.19915,0.4,0,0.1,-1,0.66,0,0,0,0,0.18,0,0,0,0,0,0,0,0,0,0,0.66,0.57,0.83
PCM-0102125,1.85E-07,O=C(CCl)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1,2.3,8.1,1.4,66.44347,0.35,0,0,-1,0.29,0,0,0,0,0.13,1,0,0,0,0,0,0,0,0,0,,,
PCM-0102524,5.15E-09,C=CC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)C(C)O3)CC1,102.7,99.7,80.6,66.47778,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102201,2.38E-07,O=C(CCl)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1,9.5,57.6,11.1,66.81936,0,0,0.17,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103030,6.47E-08,CC(NC(=O)CCl)c1ccc2c(c1)OCO2,89.2,101.7,78.2,67.00967,0,0,0,-1,0.12,0.28,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102303,5.91E-09,N#CC1(N2CCN(C(=O)CCl)CC2)CCCCC1,103,106.8,91.6,67.39112,0,0,0.06,-1,0,0.07,0,0,0,0.11,0,0,0,0,0,0,0,0,0,0,0,0,0
PCM-0102231,2.41E-07,CCc1nc(NC(=O)CCl)sc1C,61.1,78.9,56.5,67.7079,-1,0,-1,-1,0.33,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102691,4.14E-09,C=CC(=O)NCC1(O)CCS(=O)(=O)CC1,103.8,104.1,102.8,67.88392,0,0,0,-1,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102750,1.50E-07,CC1CN(c2ccc(NC(=O)CCl)cc2)CC(C)O1,65.9,64.7,52.7,68.60227,0.16,0,0.09,-1,0,0.24,0,0,0,0,0,0,1,0,0,0,0,0,0,0,,,
PCM-0102680,1.14E-08,C=CC(=O)N1Cc2c(OC)ccc(OC)c2C(O)C1,104.2,135.1,118.9,68.98194,-1,0.1,0,-1,0,0.08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102913,6.63E-08,CC1CCC(NC(=O)CCl)CC1,96.2,86.2,72.4,69.27162,0.85,0,0,-1,0,0.08,0,0,0,0,1,0,0,0,0,0,0,0,0,0,,,
PCM-0102465,1.04E-07,N#CC1(NC(=O)CCl)CCCCCC1,80.7,72.3,43.5,69.46301,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.12
PCM-0103005,1.33E-08,C=CC(=O)N1Cc2ccccc2CC1c1nnc(CC)o1,96.8,79.4,93.2,69.47785,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102402,3.90E-08,CC(NC(=O)CCl)C12CC3CC(CC(C3)C1)C2,67.3,73.3,55.2,69.88237,-1,0,0,-1,0.07,0.24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102629,1.06E-08,C=CC(=O)N1CCOc2ccccc21,80.9,86.1,71.1,70.12709,0,0,0.35,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PCM-0102602,-2.04E-08,C=CC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1,103.4,94.7,62.4,70.31778,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102809,1.75E-07,O=C(CCl)Nc1nc(-c2ccc(F)cc2)cs1,5.1,63.1,1.7,70.45493,0,0,0.26,-1,0.37,0.21,0,0,0,1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102566,7.92E-09,C=CC(=O)NC1CCc2nc(-c3cc(F)ccc3F)cn2C1,97.4,105.5,78,70.71194,0,0,0,-1,0,0,0,0,0,0.22,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102126,8.90E-08,O=C(CCl)Nc1nc2ccc(Br)cc2s1,83.6,92.7,92.5,70.96745,0,-1,0.1,-1,1,0.12,0,0,0,0.7,0,0,1,0,0,0,0,0,0,1,,,
PCM-0103010,2.97E-08,CC(=O)c1cc2c(cc1NC(=O)CCl)OCO2,59.9,86,69.5,71.00242,0,0,0,-1,0.14,0,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102433,4.56E-09,C=CC(=O)N1CCCC(Cc2nccn2C)C1,94.7,97.8,92.9,71.3429,0,0,-1,-1,0.2,0.26,0,0.44,0,-1,0,0,0,0,0,1,0,0,0,0,,,
PCM-0102223,2.65E-07,N#CC(c1cccs1)N1CCN(C(=O)CCl)CC1,74,75.5,64.6,71.3451,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102614,7.70E-08,O=C(CCl)NC(=O)Nc1ccc2c(c1)OCCO2,88.7,83.6,80.3,71.35103,0,0,0.39,-1,0.23,0.27,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102472,4.53E-09,CC(C)n1nccc1NC(=O)CCl.Cl,92.7,107.3,100.8,71.64799,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102551,8.44E-09,C=CC(=O)Nc1ccc(N2CCOCC2)cc1,99.9,113.1,82.5,71.72878,-1,0,0,-1,0,0,0,0,0,0.21,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102609,3.18E-09,C=CC(=O)N1CCCC(CC(=O)OC(C)(C)C)CC1,105.6,104.5,90.6,71.73356,0,0,0,-1,0,0.06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102690,4.54E-09,C=CC(=O)N1CCC2(CC1)CNC(=O)C2,100.3,106.7,95.1,71.76764,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102249,1.54E-07,Cc1ccc(C)c(-n2nc(C)cc2NC(=O)CCl)c1,45.3,64,25.4,72.09814,0,0,0,-1,0,0.43,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102361,2.79E-07,O=C(CCl)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1,2.5,48.1,5.4,72.62472,0,0,0.22,-1,0,0,0,0,0,0.13,0,0,0,0,0,0,0,0,0,0,0,0,0.18
PCM-0102239,1.56E-07,Cl.O=C(CCl)N1CCN(c2cccc(C(F)(F)F)c2)CC1,4.2,28.2,19.6,73.00723,0,0.07,0,-1,0.08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102682,1.24E-08,C=CC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1,101.8,103.2,72.7,73.06309,0,0,0,-1,0,0,0,0,0,0.56,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102908,7.50E-09,CCC(C)NC(=O)NC(=O)CCl,109.9,91.8,88.7,73.20001,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102237,1.11E-07,O=C(CCl)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,78.8,77,66.9,73.65207,0,0,0,-1,0.06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102265,2.42E-07,Cc1csc(N(C(=O)CCl)c2ccccc2)n1,12.6,36.8,48.6,73.68175,-1,0,0,-1,0.19,0.06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102642,5.89E-09,C=CC(=O)N1C2CCC1CC(O)(Cc1ccc(F)cc1F)C2,102.4,102.9,92.5,73.78146,0.33,0,0,-1,-1,0,-1,0,0,0.09,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102329,9.16E-07,O=C(CCl)Nc1cccc2c1N=S=N2,38.2,50.1,19.9,74.20113,0.16,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102834,3.52E-08,C=CC(=O)NC(=O)NCc1ccccc1,23,57.4,17.9,74.74576,0.3,0,0.79,-1,0.35,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102321,1.11E-08,O=C(CCl)Nc1cc(C(F)(F)F)ccc1N1CCCC1,104.4,116.4,110.4,74.88799,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102316,1.92E-07,O=C(CCl)Nc1ccc(Cl)c([N+](=O)[O-])c1,0.4,1,1.1,75.54815,0.32,0,0.08,-1,0.28,0.36,0,0,0,0.08,1,0,0,0,0,0,0,0,0,0,0.28,0.31,0.76
PCM-0102628,1.77E-07,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c(C)c1,35.6,82.6,82.4,75.60191,0.27,0,0.23,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.04,0.3
PCM-0102451,9.53E-10,C=CC(=O)N1CCCN(C(=O)Oc2ccccc2)CC1,96.2,105,93.9,75.61893,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102933,2.20E-07,CC1CCCN(C(=O)C2CCN(C(=O)CCl)CC2)C1,92.6,80.1,57.9,75.77466,0,0,0.16,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102801,1.40E-07,O=C(CCl)Nc1ccc2c(c1)OC1(CCCC1)O2,8.5,59.7,2.8,75.79358,-1,0,0.14,-1,0.1,-1,0,0,0,0.42,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102112,1.98E-07,O=C(CCl)Nc1ccc(Cl)c(Cl)c1,2,26,1.4,76.08713,0.26,0,0.08,-1,0.18,0.3,0,0,0,0.25,0,0,0,0,0,0,0,0,0,0,0.18,0.22,0.68
PCM-0102911,2.81E-07,Cc1ccccc1CN1CCCN(C(=O)CCl)CC1.Cl,10.1,15.7,4.5,76.13398,0.13,0,0.45,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102593,5.91E-09,C=CC(=O)N1CCC(C(=O)N2CCN(C(C)=O)CC2)CC1,98.3,111.4,104.8,76.24483,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102550,2.00E-07,O=C(CCl)N=c1sccn1Cc1ccccc1Cl,27.2,3.8,6,76.51916,-1,0,0,-1,0.11,0,0,0,0,0.14,0,0,0,0,0,0,0,0,0,0,0.11,0.22,0.14
PCM-0102403,1.32E-07,O=C(CCl)N1CCc2cc([N+](=O)[O-])ccc21,21.2,51.4,50.4,77.1809,-1,0,0.1,-1,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103025,-4.47E-09,C=CC(=O)N1CCC2(CCc3ccccc3O2)C1,100.9,90.8,102.6,77.37211,-1,0,0.15,-1,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103022,1.24E-07,O=C(CCl)N1CCN(c2ncc(Cl)cc2Cl)CC1,3.6,36.4,13.4,77.4356,0,0,0.14,-1,0.22,0,0,0,0,0.13,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102765,9.62E-09,C=CC(=O)N1CCC(CS(C)(=O)=O)C1,98.4,101.1,85.1,77.46058,0.22,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102399,1.48E-07,Cc1ccc(CN(C)C(=O)CCl)o1,25.7,56.5,31.8,77.79178,0,0,0,-1,0.05,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102713,2.99E-09,C=CC(=O)NCC1COc2ccccc2O1,99,102.3,76.1,77.83573,0,0,0,-1,0.16,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102173,1.34E-07,COc1ccccc1N1CCN(C(=O)CCl)CC1.Cl,44.1,76.9,58.2,78.10135,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103056,2.77E-07,Cc1ccc(CN2CCCN(C(=O)CCl)CC2)cc1.Cl,8.8,12,3.6,78.13941,0.32,0,0.33,-1,0,0,0,0,0,0.15,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102292,1.40E-07,CC1CCCCC1NC(=O)NC(=O)CCl,52.8,69,48.6,78.22924,0,0,0.1,-1,0,0.24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102385,9.58E-09,C=CC(=O)Nc1ccc(F)c(F)c1,103.6,112.3,66.1,78.27351,-1,0,0.06,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103001,9.24E-08,O=C(CCl)NC(=O)NC1CCCC1,66.4,80.2,66.7,78.57985,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103026,1.41E-07,CC1CCCCC1N(C)C(=O)CCl,18.3,57,31.2,78.63612,0.18,0,0,-1,0.12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103069,9.77E-09,C=CC(=O)N1CCCC(c2nc3c(s2)CCCC3)C1,98.5,104.4,79.4,78.67641,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PCM-0102577,1.19E-07,Cc1ccc(NC(=O)CCl)cc1I,4.6,17.9,2.4,78.93072,0.34,0,0,-1,0.34,0.8,0,0,0,0.32,0,0,0,0,0,1,0,0,0,0,,,
PCM-0102769,-1.71E-09,C=CC(=O)NCC1C2Cc3ccccc3C12,94.3,97.5,79.1,78.94921,-1,0,0,-1,0,0.21,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102101,1.35E-07,O=C(CCl)Nc1ccc(-c2nnc3n2CCCCC3)cc1,36.7,61.9,17.5,79.05568,0,0,-1,-1,0,0.28,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102164,1.71E-07,NC(=O)c1c(NC(=O)CCl)sc2c1CCC2,27.2,25.6,2.6,79.39839,0.26,0,0,-1,0.28,0,0,0,0,0.24,1,0,0,0,0,0,0,0,0,0,,,
PCM-0102996,1.77E-07,O=C(CCl)N1CCN(C(=O)C2COc3ccccc3O2)CC1,19.8,56.4,5.8,79.54756,0,0,0.31,-1,0,0.13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102124,1.93E-07,Cc1nc(NC(=O)CCl)sc1C,47.2,66.1,32.2,79.6998,0,0,0,-1,-1,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102289,7.92E-08,O=C1CN(C(=O)CCl)c2ccc(C(F)(F)F)cc2N1,89.3,96.4,94.7,79.75168,0,0,0,-1,0,0,0,0,0,0.33,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103063,9.42E-08,Cl.O=C(CCl)N1CCN(Cc2ccccc2)CC1,72.1,81.1,60.1,79.94748,-1,0,0.1,-1,0.07,0.35,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0.07,0.07,0
PCM-0102774,9.24E-08,O=C(CCl)N(C1CC1)C1CCCc2ccccc21,5.8,5.8,4,80.18396,0.12,0,0,-1,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102448,2.75E-10,C=CC(=O)NCC1=CCCOC1,101.5,103.8,79.4,80.19635,-1,0,0,-1,0.05,0,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0.05,0,0
PCM-0102206,6.31E-09,Cc1nc(NC(=O)CCl)c(Cl)cc1Cl,110.2,104.9,101.1,80.49704,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102889,1.33E-07,Cl.O=C(CCl)N1CCN(c2cnccn2)CC1,88.2,97.2,94.7,80.61106,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PCM-0102438,9.84E-08,CC(c1ccc(F)c(F)c1)N(C)C(=O)CCl,23.2,39.3,16.4,80.63354,0,0,0,-1,0.14,0.08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102108,1.47E-08,CC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)CCl,103.1,99,101.1,80.76919,0.26,0,0.24,-1,0,-1,0,0,0,-1,0,0,1,0,0,0,0,0,0,0,,,
PCM-0102986,6.53E-09,C=CC(=O)NCc1cc2sccc2s1,98.7,111.4,78.6,80.93057,0,0,0,-1,0,0.08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102688,8.86E-09,C=CC(=O)N1CC(OC(=O)Nc2cccc(F)c2)C1,82.3,99,95.8,81.54583,0,0,0.11,-1,0,0.17,0,0,0,0.21,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102536,1.18E-07,CC(C)(C)c1cc(NC(=O)CCl)n(-c2ccccc2)n1,33.5,65.2,10.6,81.56901,0,0,0,-1,0,0.14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102649,9.73E-09,C=CC(=O)N1CC2CC3CC2C1C3OC,107.1,118.2,116.8,81.57183,0.12,0,0,-1,0,0.15,0,0,0,0,1,0,0,0,0,0,0,0,0,0,,,
PCM-0102317,3.66E-07,COc1cc2c(cc1OC)CN(C(=O)CCl)CC2,6.4,27.7,1.2,81.72836,0,0,0.33,-1,0.1,0.14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102558,1.10E-07,COc1ccc(C2CCCCCN2C(=O)CCl)cc1,27.4,11,15.3,81.80865,0.19,0,0,-1,1,0,0,0,0,0.17,0,0,0,0,0,0,0,0,0,0,1,1,1
PCM-0102804,9.35E-09,C=CC(=O)N1CCN(C(=O)c2ccc(Br)o2)CC1,93.5,101.7,84.7,81.83708,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102298,2.04E-07,O=C(CCl)N1CCCC1c1ccc2c(c1)OCCO2,5.3,21.6,4.5,81.89114,0,0,0.07,-1,1,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,1,1,1
PCM-0102121,2.46E-07,O=C(CCl)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1,1.7,20.6,2,82.11204,0,0,0.21,-1,0.15,0,0,0,0,0.16,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102261,1.08E-07,Cc1c(C#N)c(NC(=O)CCl)n(-c2ccccc2)c1C,42.5,75.1,7.8,82.17856,0.26,0,0.09,-1,0.3,0.09,0,0,0,0.29,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102171,1.36E-07,Cc1ccc(NC(=O)NC(=O)CCl)c(C)c1,78.8,53.9,74.7,82.22031,-1,0,0,-1,0.2,0.1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102444,6.84E-09,C=CC(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1,102.4,109.1,93.6,82.24774,0.1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102770,1.82E-07,Cc1cc(NC(=O)CCl)ccc1Br,2.5,15.6,1.6,82.35839,-1,0,0,-1,0.21,-1,0,0,0,0.35,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102625,1.13E-07,O=C(CCl)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21,5.4,12.2,2.5,82.53881,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102677,2.23E-09,C=CC(=O)N1CC(O)CC1c1ccccc1C(F)(F)F,98.4,107.6,109.4,82.61144,0.18,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102449,1.06E-08,C=CC(=O)N1CCN(C(=O)OCC(C)C)CC1,103.1,80.1,76.6,82.66575,0,0,0.28,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102094,3.03E-07,O=C(CCl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,1.2,9.2,1.3,82.73498,-1,0,0.47,-1,0.27,0,0,0,0,0.44,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102825,5.30E-09,C=CC(=O)NCc1cccc(C(F)(F)F)c1,97.4,107.4,82.3,82.91083,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102592,8.38E-08,CN(Cc1ccccc1Br)C(=O)CCl,27.4,71.9,39,82.94589,0,0,0.09,-1,0.14,0.12,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103011,5.88E-08,O=C(CCl)NCC#Cc1cccc(C(F)(F)F)c1,56.8,77.4,52.5,83.2065,0.23,0,0,-1,0,0.84,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102704,2.67E-07,O=C(CCl)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,2.5,18.8,2.7,83.38788,0.37,0,0.18,-1,0.25,0,0,0,0,0.25,1,0,0,0,0,0,0,0,0,0,,,
PCM-0102711,9.45E-09,O=C(CCl)NC(=O)c1ccc(Cl)cc1,98.9,96.8,102.7,83.42164,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103032,1.59E-07,Cl.O=C(CCl)N1CCN(c2cccc(Cl)c2)CC1,12,71.1,58.5,83.49037,0.3,0,0.13,-1,0.22,0.21,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0.22,0.35,0.49
PCM-0102410,1.26E-07,COc1cccc(NC(=O)CCl)c1,34.1,63.5,7.5,83.50501,-1,0.21,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102395,1.86E-07,N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCl)CC1,11.2,62.6,9.7,83.55554,0.2,0,0.17,-1,0.28,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102606,-5.34E-10,C=CC(=O)N1CCCC(c2nnc3ccc(C(F)(F)F)cn23)C1,107.4,111.4,126.2,83.70013,-1,0,0,-1,0,0,0,0,0,0.1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102957,2.87E-07,O=C(Nc1ccccc1)NN(C(=O)CCl)c1ccccc1,3.7,1.1,0.8,83.8736,0,-1,0.67,-1,1,0,0,0,0,0.87,0,0,0,0,0,0,0,0,0,1,,,
PCM-0102137,1.74E-07,Cl.O=C(CCl)N1CCN(Cc2c(F)cccc2Cl)CC1,20.8,59.5,25.8,83.92631,0,0,0.23,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102200,2.56E-08,COC(=O)c1c(NC(=O)CCl)sc2c1CCCCC2,49.5,80.8,21.8,84.18782,0.14,0,0,-1,0.11,0,0,0,0,0.1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102446,1.28E-08,C=CC(=O)NC1(CO)Cc2ccccc2C1,101.2,102.8,88.4,84.20422,0,0,0,-1,0.38,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,,,
PCM-0102672,1.43E-07,CN(Cc1ccco1)C(=O)CCl,51.9,78.1,49.1,84.27707,-1,0,0,-1,0.1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103031,1.91E-07,Cc1ccc2nc(NC(=O)CCl)sc2c1,70.6,74.9,79.2,84.59505,0,0,0.22,-1,0.88,0.18,0,0,0,-1,0,0,0,0,1,0,0,0,0,0,0.88,1,1
PCM-0103082,1.83E-07,Cc1ccc(N(C(=O)CCl)C2C=CS(=O)(=O)C2)cc1C,19.6,10.5,4.1,84.73428,-1,0,0,-1,0.15,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102676,1.65E-07,O=C(CCl)N1CCCC(C(F)(F)F)C1,44.7,88.5,54.4,84.73964,0.19,0,0,-1,0.14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102960,3.70E-08,C=CC(=O)N1CCC(C#N)(c2ccccn2)CC1,101.5,110.3,104.4,84.91053,0,0,0,-1,0,0.06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102275,7.28E-08,CC(NC(=O)CCl)c1cccc2ccccc12,61.6,70.5,47.3,85.01091,0,0,0.07,-1,0.32,0.73,0,0,0,0.09,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102348,1.67E-07,CC(C)(C)c1cc(NC(=O)CCl)on1,32.8,59.9,60.9,85.0882,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.16
PCM-0102615,1.83E-07,O=C(CCl)N1CCOC(c2ccc(F)cc2)C1,2,12.6,4.8,85.18278,0.08,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.07,0.14
PCM-0102975,3.78E-08,CN(C(=O)CCl)c1nccs1,99.8,117.6,97,85.27215,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102648,6.48E-10,C=CC(=O)NCC1CCOCO1,102.3,103.5,88.8,85.29153,-1,0.2,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102595,1.17E-08,C=CC(=O)N1CCC(NC(=O)c2ccncc2)CC1,102.4,102,94.7,86.20089,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102659,3.63E-07,O=C(CCl)N1N=C(c2ccco2)CC1c1ccsc1,15.3,15.6,3.5,86.22279,0.26,0,0,-1,0.39,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103016,1.81E-07,O=C(CCl)N1CCN(c2ccccc2[N+](=O)[O-])CC1,8.7,61.4,13.4,86.53298,-1,0.16,0.21,-1,0.27,0.09,0,0,0,0.16,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102485,7.06E-09,C=CC(=O)N1CCCc2[nH]c3ccc(F)cc3c2C1,95.2,106.1,104.6,86.57263,0,0.12,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102273,2.10E-07,CC(=O)c1ccc(N2CCN(C(=O)CCl)CC2)c(F)c1,4.9,38.5,2.2,86.70192,0,0,0,-1,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102705,9.48E-08,O=C(CCl)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21,4.2,28.8,51.1,86.77831,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PCM-0102622,1.13E-07,CC(C)(C)c1ccc(NC(=O)CCl)cc1,12.6,38.7,10.3,86.9496,0,0,0,-1,0,0.32,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102669,1.89E-07,CN(C(=O)CCl)c1ccc([N+](=O)[O-])cc1,12.9,17.3,10.5,87.09669,0,0,0.1,-1,0.14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102719,8.40E-09,C=CC(=O)NCC1CCCS1,101.7,104.9,86.1,87.465,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102630,1.53E-07,Cc1nc(CN2CCN(C(=O)CCl)CC2)cs1,92,79.3,67.4,87.51117,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102258,1.32E-07,O=C(CCl)Nc1cc(Cl)ccc1-n1cncn1,53.8,51.7,11.7,87.52957,0,0,0,-1,0.21,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102326,6.37E-08,O=C(CCl)Nc1ncc(Br)s1,38,47.7,23,87.58896,-1,0,0,-1,0,0.06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102323,1.62E-07,O=C(CCl)Nc1ccc(C(F)(F)F)cc1,11.1,53.2,5.5,87.68421,0.13,0,0,-1,0.07,0.17,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102556,1.32E-07,CC(c1ccc(Cl)cc1)N(C)C(=O)CCl,4.9,11.5,3.1,87.76213,-1,0,0,-1,0.39,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102394,1.26E-07,Cc1cc(C)cc(NC(=O)CCl)c1,31.4,69.9,22.3,87.86399,0,0,0,-1,0,0.22,0,0,0,0.08,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102473,1.34E-08,C=CC(=O)N1CCC(Cc2ccccn2)CC1,100.5,111.7,98.6,87.87958,0.19,-1,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102260,-2.11E-08,CC(C)(C)C1CCc2sc(C(=O)NNC(=O)CCl)cc2C1,64,29.7,10.2,87.9859,0.25,0,0.1,-1,0,0.67,0,0,0,0.71,0,0,0,0,0,0,0,0,0,1,,,
PCM-0102396,1.06E-07,O=C(CCl)Nc1cccc2ccccc12,16.3,55.8,2.4,87.99386,-1,0,0,-1,0.12,0.54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102999,1.34E-09,C=CC(=O)N1CCN(C(=O)C2COc3ccccc3O2)CC1,100.3,112.2,88.3,88.12445,0,0,0.16,-1,0,0,0,0,0,0.15,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102771,1.16E-08,C=CC(=O)N1CCC(C(=O)N(C)c2ccccc2)C1,100.4,106.5,72.2,88.2108,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102123,2.75E-07,O=C(CCl)N1CCc2sccc2C1,9.2,73.1,6.6,88.22927,0.24,0,0,-1,0.14,0.39,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102549,9.37E-09,C=CC(=O)N1CCCc2ccccc21,110.6,109.4,111.1,88.27637,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102579,2.41E-07,Cc1cccc(N(C(=O)CCl)C2C=CS(=O)(=O)C2)c1,29.8,16.2,6.4,88.29187,0.19,0,0,-1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103027,1.00E-07,COC(=O)c1ccc(C)c(NC(=O)CCl)c1,34.3,54.7,22.1,88.38066,0,0,0,-1,0.05,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.05,0.12,0
PCM-0102356,5.75E-08,O=C(CCl)NCC1CCCO1,91.4,104.3,102.1,88.41878,0,0,0,-1,0,0.05,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102992,1.37E-07,O=C(CCl)Nc1ccc(Br)cc1,12.2,52.9,4.4,88.48673,0.15,0,0,-1,0.11,0.08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102965,1.44E-07,CC(=O)c1cccc(NC(=O)CCl)c1,2.5,11,1.9,88.51657,0,0,0,-1,0,0.36,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.1
PCM-0102759,2.00E-07,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1,7.5,49.9,8.6,88.52635,0.15,0,0.11,-1,0.12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102213,1.21E-07,Cl.O=C(CCl)N1CCN(c2ccccn2)CC1,84.5,94.7,81.6,88.53646,0,0,0,-1,0,0,0,0,0,0.33,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102901,7.34E-08,Cc1nc(-c2ccc3c(c2)CCN3C(=O)CCl)cs1,2.3,22.6,1.2,88.75158,0.18,0,0.08,-1,0.46,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102482,4.04E-09,C=CC(=O)NCc1ccon1,98.9,92.9,90.3,88.95846,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102210,1.16E-07,COc1cc(Cl)c(C)cc1NC(=O)CCl,8.5,64.1,5.5,88.99347,0.13,0,0,-1,0,0.25,0,0,0,0.15,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102598,5.09E-08,CC(NC(=O)CCl)C(=O)N1CCCCC1,101.1,99.9,98.7,89.19004,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.12,0
PCM-0102377,1.40E-07,O=C(CCl)N1CCCCCCC1,36.7,82.1,43.5,89.23864,0.26,0,0.22,-1,0,0,0.09,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102224,1.00E-07,Cc1ccc(-n2nc(C)cc2NC(=O)CCl)cc1,49.3,67.5,24.9,89.25249,0.26,0,0,-1,0,0.35,0,0,0,0.11,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102845,3.53E-08,C=CC(=O)Nc1nc(-c2ccccc2C)cs1,107,105.7,93.4,89.34847,0,0,0,-1,0,0,0,0,0,0.19,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102721,5.51E-09,C=CC(=O)N1CCOCC1c1cccn1C,102.1,92.8,97.2,89.35925,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103021,4.03E-09,CC(C)(C)C(=O)NC(=O)CCl,104.6,116.3,98.9,89.45173,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102634,1.20E-09,C=CC(=O)N1CCN(C)CC1,99.6,113.8,130.8,89.47854,0.16,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102350,7.37E-08,CC(NC(=O)CCl)c1ccc2ccccc2c1,66,70.6,58.5,89.50034,0.16,0,0,-1,0.31,0.47,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102565,1.00E-08,C=CC(=O)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1,105.5,103.6,105.1,89.50497,-1,0,0,-1,0.18,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.18,0.17,0
PCM-0102529,-8.65E-10,C=CC(=O)NC(C#N)C(C)C,102.1,98.9,89.7,89.66332,0.53,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102344,1.88E-07,CN(Cc1ccc(Cl)cc1)C(=O)CCl,4.3,24,2.1,89.73227,0,0,0,-1,0.34,0,0,0,0,0.09,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102263,4.06E-07,CC(C)C(C#N)N1CCN(C(=O)CCl)CC1,64,65.2,13.9,89.81091,-1,0,-1,-1,0.17,0.31,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102947,1.26E-09,C=CC(=O)NCc1ccc2cnn(C)c2c1,103.9,93.1,92.6,90.106236,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102739,1.61E-07,Cl.O=C(CCl)N1CCN(Cc2ccsc2)CC1,55.2,85.9,42.7,90.143352,0,0,0.15,-1,0.07,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102976,9.53E-08,CN(Cc1cccc(Cl)c1)C(=O)CCl,18.9,67.9,31.2,90.174562,0,0,0,-1,-1,0,-1,0,0,0.21,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102325,2.37E-07,COc1ccc2c(c1)CCCN2C(=O)CCl,7.5,40.2,1.8,90.332663,0.11,0,0.08,-1,0.12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102826,1.06E-07,O=C(CCl)N1CCCC2CCCCC21,33.7,32.5,27.9,90.430496,0,0,0,-1,0.07,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102568,3.94E-09,C=CC(=O)NC1CCC(N2CCCS2(=O)=O)CC1,107.4,93.8,78,90.448992,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103040,7.94E-08,O=C(CCl)Nc1ccc(F)cc1Cl,76.9,68.7,60.3,90.544749,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102242,9.10E-08,O=C(CCl)Nc1nccs1,88.3,79.3,70.1,90.640656,0,0.17,0,-1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,,,
PCM-0102257,2.91E-07,O=C(CCl)N1CCN(C(=O)Nc2ccccc2)CC1,34.8,56.6,8.5,90.857898,0,0,0.16,-1,0.07,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102581,3.22E-09,C=CC(=O)Nc1ccccc1C(F)(F)F,108.4,120.8,123,90.8606,0,0,0,-1,0,0,0,0,0,0.1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102587,1.88E-09,C=CC(=O)NCc1cnc(C)s1,106.8,110.7,83.2,90.862577,0,0.24,0.2,-1,0,-1,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102941,6.64E-08,CC(C)N(C(=O)CCl)C1CCCCC1,85.7,26,56.3,90.928902,0,0.3,0,-1,0.17,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102278,1.40E-07,O=C(CCl)Nc1ccc(I)cc1,18.7,57.1,4.9,91.076591,0.18,0.09,0,-1,0.09,0.24,0,0,0,0.23,0,0,0,0,0,0,0,0,0,0,0.09,0.26,0.55
PCM-0102693,1.62E-07,O=C(CCl)N1CCCC1c1ccsc1,11.7,37.7,4.6,91.07972,0,0,0,-1,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0.15,1
PCM-0102937,1.09E-07,CCOC(=O)C1CCCCN1C(=O)CCl,90.3,89.4,71.9,91.13428,-1,0,0.81,-1,0,0.13,0,0,0,0,0,0,1,0,0,0,0,0,0,0,,,
PCM-0103004,1.16E-07,O=C(CCl)Nc1ccc(F)cc1F,54.2,62.1,32,91.18346,-1,0,0,-1,0,0.26,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102836,2.58E-07,O=C(CCl)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,11.7,67.7,46.3,91.272559,0,0,0.34,-1,0,0,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102703,1.41E-07,CN(C(=O)CCl)C1CCCc2ccccc21,6.6,25.8,5.8,91.308524,0.12,0,0.11,-1,0.3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102450,4.62E-09,C=CC(=O)NC1(C2CC2)CCOCC1,96.2,105.6,111.1,91.340384,0.17,0,0,-1,0,0,0,0,0,0.08,0,0,0,0,0,0,0,0,0,1,,,
PCM-0102756,1.71E-07,CN(CC1COc2ccccc2O1)C(=O)CCl,13.3,52.5,21.7,91.721258,-1,0,0.09,-1,0.16,0.06,0,0,0,0.1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103044,7.14E-09,C=CC(=O)NCc1c2c(nn1C)CCCC2,97.2,98.1,74.2,91.79424,0,0,0,-1,0,0.08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102868,1.72E-07,O=C(CCl)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1,27.9,33.4,6.2,92.009955,0,0,0.38,-1,0.34,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102555,5.40E-09,C=CC(=O)N1CCC(n2cccn2)CC1,101.9,104.4,109,92.034607,0.14,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102441,2.27E-09,C=CC(=O)N1CCN(c2nc3ccccc3o2)C(C)C1,96.7,99.4,88.3,92.035734,0,0,0,-1,0,0,0,0,0,0.25,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102575,2.05E-07,O=C(NC1CCN(C(=O)CCl)CC1)c1ccccc1,63.8,68.2,40.6,92.134018,0,0,0.16,-1,0.09,0.09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102646,6.86E-09,C=CC(=O)N(C1CC1)C1CC(=O)NC1=O,102.7,98.4,94.9,92.194435,0,0,0.62,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102951,6.91E-08,O=C(CCl)NC1(c2ccc3c(c2)OCCO3)CCCC1,72.7,69.3,56.4,92.226771,0.18,0,0,-1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1
PCM-0102729,1.47E-08,C=CC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)CC1C,104.4,107.3,107,92.281257,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102308,4.36E-08,O=C(CCl)NC(=O)Nc1ccc(Br)cc1,78.8,89.9,71.6,92.360495,0,0.11,0.17,-1,0.17,0.1,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102268,1.38E-07,COc1ccc(NC(=O)NC(=O)CCl)cc1,63.7,70.4,65,92.40054,0,0,0,-1,0,-1,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102220,1.58E-07,CS(=O)(=O)c1ccc(Cl)c(NC(=O)CCl)c1,45.5,60.9,21.3,92.425743,0.21,0,0,-1,0.05,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,,,
PCM-0102528,7.82E-09,C=CC(=O)NC(C)(C)c1cc(C(F)(F)F)on1,99.9,109.4,103.6,92.492492,0.3,0,0.17,-1,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102393,2.39E-07,O=C(CCl)N1CCCC1c1cccs1,7.5,39,2.5,92.512064,0,0,0.09,-1,0.36,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102945,4.93E-08,CC1CCN(C(=O)CCl)CC1,102.7,107.5,88.3,92.521074,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102191,6.47E-09,C=CC(=O)Nc1ccc(Br)cc1,91.3,88.9,65.6,92.615829,0,0,0.09,-1,0.09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102985,2.40E-08,O=C(CCl)NNC(=O)c1ccco1,96.9,89.7,100,92.724401,0.27,0.2,0,-1,0,0.27,0,0,0,0,1,0,0,0,0,0,0,0,0,0,,,
PCM-0102327,2.69E-07,O=C(CCl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1,5.2,45.3,8.1,92.727103,0.23,0,0.22,-1,0.13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102264,-6.82E-09,Cc1sc2nc(-c3cccc(NC(=O)CCl)c3)[nH]c(=O)c2c1C,64.6,92.8,61.2,92.727329,0,0,0,-1,0,0.13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102641,5.90E-09,C=CC(=O)N1CCCC(c2cnn(C)c2)C1,107.2,115.2,81.4,92.875068,0,0,0,-1,-1,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102411,5.17E-08,O=C(CCl)NC(=O)NC1CC1,96.7,84.9,109.3,92.894089,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102510,2.74E-08,O=C(CCl)NNC(=O)c1ccccc1F,98,72.7,93.1,92.961239,0,0,0,-1,0,0.52,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102657,5.89E-08,Cc1c(Cl)cnc(NC(=O)CCl)c1Cl,101.2,98.2,99.6,93.039952,-1,0,0.15,-1,0.06,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102391,3.24E-08,O=C(CCl)NCC(=O)N1CCCC1,105.6,100.7,116.5,93.12412,0,0,0,-1,0,0,0,0,0,0.1,0,0,0,0,0,0,0,0,0,1,,,
PCM-0103017,9.80E-08,Cc1ccc(CN(C)C(=O)CCl)cc1,67.7,73.9,58.2,93.300667,0,0,0,-1,0.09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102603,5.78E-09,C=CC(=O)N1CC(NC(=O)C(F)(F)F)CCC1C(F)(F)F,97.9,104.2,110.1,93.349621,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102726,2.31E-09,C=CC(=O)NCC1=CCCCC1,104.8,99.1,89.9,93.373023,0,0.1,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PCM-0102980,4.98E-08,CCN(C(=O)CCl)c1ccccc1C,93.4,85.7,66.1,93.579052,0,0.07,0,-1,0.43,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,,,
PCM-0102915,1.35E-07,O=C(CCl)Nc1ccc(N2CCCC2=O)cc1,59.3,65.3,17.7,93.705317,0,0,0,-1,0,0.49,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102930,4.99E-08,Cl.O=C(CCl)Nc1ccncc1,86.4,90.7,90.5,93.884517,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102151,1.72E-07,O=C(CCl)Nc1ccc2[nH]c(C(F)(F)F)nc2c1,7.4,28,1.3,93.88712,0.16,0,0.12,-1,0.07,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102331,9.42E-08,O=C(CCl)Nc1cc2c(cc1Cl)OCCCO2,17.2,57.1,10.3,94.016314,0.15,0,0,-1,0.36,0.26,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102596,8.78E-08,O=C(CCl)NCC1CCOC1,93.6,90.8,112,94.043944,0,0,0,-1,0,0.13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103013,2.10E-07,Cc1ccccc1C(=O)NC1CCN(C(=O)CCl)CC1,84.4,76.5,58.4,94.061539,0,0.1,0.24,-1,0,0,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0.15,0
PCM-0102768,1.30E-07,N#Cc1ccsc1NC(=O)CCl,46.1,74.6,45.9,94.186603,0,-1,0.48,-1,-1,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102392,1.27E-07,O=C(CCl)Nc1ccc([N+](=O)[O-])cc1Cl,43.5,53.9,43.8,94.273049,0.14,0,0,-1,0.16,0.21,0,0,0,0.19,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102218,6.52E-08,O=C(CCl)Nc1cc(C(F)(F)F)ccc1-n1cncn1,42.2,63.7,17.7,94.302007,0,0,0,-1,0.28,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102601,1.11E-08,C=CC(=O)NC1(c2nc(C)cs2)CCOCC1,103.3,102.4,109.1,94.366653,0,0,0,-1,0,-1,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0
PCM-0102723,-6.83E-09,C=CC(=O)N1CCCC(C(C)NC(=O)NC(C)(C)C)C1,105.2,109,99.2,94.433553,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PCM-0103019,1.07E-07,CC1CCC(N(C)C(=O)CCl)CC1,39.2,40.7,39.9,94.48446,-1,0,0,-1,0,0,0,0,0,0.09,0,0,0,0,0,0,0,0,0,1,,,
PCM-0102468,2.13E-07,O=C(CCl)N1CCN(S(=O)(=O)c2ccccc2)CC1,12.6,54.9,15,94.605995,-1,0,0,-1,0,0.08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102620,4.23E-08,NC(=O)c1c(NC(=O)CCl)sc2c1CCCC2,42.3,73.1,29.6,94.616882,0.2,0,0,-1,0.36,0.16,0,0,0,0.28,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102512,1.86E-07,O=C(CCl)N1CCCC1c1ccc2c(c1)OCCCO2,8.3,19.7,3.8,94.619184,-1,0,0.11,-1,0.88,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102202,1.37E-07,Cc1sc(NC(=O)CCl)c(C#N)c1C,32.8,55.2,14.4,94.67765,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102352,3.70E-08,Cc1cc(C)c(NC(=O)CCl)c(C)c1,84.2,78.5,72.9,94.683406,0,0,-1,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102696,6.26E-08,O=C(CCl)Nc1cccc(C(=O)O)c1,90.3,86.9,84.6,94.74938,0,0,0,-1,0,0.11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103073,1.04E-08,C=CC(=O)NC(c1cnn(C)c1)C(F)(F)F,99.5,107.2,94.4,94.788699,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102656,1.81E-07,CCOC(=O)C1CCN(C(=O)CCl)CC1,86,90.3,69.4,94.819082,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102635,6.36E-09,C=CC(=O)NC1CCN(C(C)=O)Cc2cc(F)ccc21,100.9,113.9,91.8,94.901299,0,0,0,-1,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102221,1.16E-07,CNC(=O)C1CN(C(=O)CCl)c2ccccc2O1,82.1,58.1,53,95.009319,-1,0,0,-1,0,0.15,0,0,0,0.09,0,0,0,0,0,0,0,0,0,0,0,0.15,0.1
PCM-0102338,1.62E-07,O=C(CCl)N1CCNC1=O,99.5,98.6,86.5,95.05487,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102694,1.82E-08,O=C(CCl)NC(=O)c1cccc2ccccc12,100.6,112.4,111.2,95.111308,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102709,9.12E-08,C=CCNC(=O)NC(=O)CCl,90,77.7,75.3,95.157409,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102208,1.30E-07,Cc1ccc(NC(=O)CCl)cc1Cl,3.7,37.4,1.2,95.267406,-1,0,0,-1,0.19,0.46,0,0,0,0.13,0,0,0,0,0,1,0,0,0,0,,,
PCM-0102335,3.04E-07,CS(=O)(=O)c1ccc(NC(=O)CCl)cc1,37.1,46,2.7,95.333605,0,0,0.25,-1,0.06,0.3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.06,0,0.13
PCM-0102578,5.39E-08,O=C(CCl)NCc1ccc2c(c1)OCO2,97.5,99.9,85.6,95.343016,0.12,0,0,-1,0,0.16,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102539,2.36E-07,Cc1ccc(N(C(=O)CCl)C2C=CS(=O)(=O)C2)cc1,23.3,31.5,4.7,95.404284,-1,0,0.54,-1,0.33,0.16,0,0,0,0.34,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102313,2.06E-07,O=C(CCl)N(C1CCCC1)C1CCS(=O)(=O)C1,64.5,65.9,42.7,95.438397,0,0,0,-1,0.11,0,0,0,0,0.09,0,0,0,0,0,0,0,0,0,0,0.11,0.33,0.3
PCM-0102358,4.31E-08,Cc1cccc(C(C)C)c1NC(=O)CCl,102,89.3,76.5,95.473886,0.1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102564,1.47E-08,C=CC(=O)NC1CCC2(CC1)OCCO2,109,132.1,75.1,95.483772,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102354,7.59E-08,Cc1ccc(Cl)cc1NC(=O)CCl,16.3,44.6,9.3,95.526695,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102107,4.65E-08,N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CCl)CCCC2,18,53.9,7.6,95.630135,-1,0,0,-1,0.46,0.08,0,0,0,0.31,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102106,7.90E-10,C=CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2,26.6,80.9,42,95.710124,-1,0,0.26,-1,0.79,0,0.19,0,0,0,0,0,0,0,1,0,0,0,0,0,,,
PCM-0103033,1.60E-07,N#Cc1cccc(NC(=O)CCl)c1,6.3,19.1,7.4,95.803679,0,0,0,-1,0,0.23,0,0,0,0.09,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102790,6.51E-08,O=C(CCl)NCc1cc(F)cc(F)c1,98.6,71.3,74.1,95.828681,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102706,6.77E-08,O=C(CCl)NCC12CC3CC(CC(C3)C1)C2,61.3,76.1,40.8,95.984605,-1,0,0.17,-1,0,0.65,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102155,1.26E-07,O=C(CCl)N(CC(F)(F)F)c1ccc(Cl)cc1,11.2,3.5,4.3,96.055183,0.19,0,0.11,-1,0.79,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.79,0.8,1
PCM-0103071,1.12E-07,O=C(CCl)N1CCCc2cccc(F)c21,62.4,65.9,25.1,96.060664,0,0,0,-1,0.4,0,0,0,0,0.08,0,0,0,0,0,0,0,0,0,0,0.4,0.38,0.47
PCM-0102363,1.59E-07,O=C1CC(C(F)(F)F)N(C(=O)CCl)c2ccccc2N1,59.3,74.6,40.4,96.071151,0,0.1,0.14,-1,0.28,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102369,6.71E-08,CCc1ccccc1NC(=O)CCl,78.3,76.1,56.7,96.098181,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102270,6.44E-08,Cc1ccc(C(C)NC(=O)CCl)cc1C,80.2,78.1,67.9,96.229202,0,0,0,-1,0,0.51,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102487,1.21E-08,C=CC(=O)NC1CCc2cnn(C(C)C)c2C1,95.5,119.6,97.7,96.33532,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102367,1.50E-07,COC(=O)c1sccc1NC(=O)CCl,75,85.5,54,96.453627,-1,0,0,-1,0.12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102219,2.80E-07,O=C(Nc1ccccc1)C1CCN(C(=O)CCl)CC1,5.6,34.2,5.6,96.495073,0.23,0,0.23,-1,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102229,2.09E-07,NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCl,41.3,67,25.5,96.558994,0,0,0,-1,0,0.21,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102131,8.13E-08,Cc1ccc(-n2nc(C)c(NC(=O)CCl)c2C)cc1,63.8,26.3,30.1,96.729559,0.12,0,0.11,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102674,6.83E-09,CN(CC(F)(F)F)C(=O)CCl,100.8,105.3,100.8,96.893041,-1,0,0,-1,0.11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.11,0.22,0
PCM-0102872,1.39E-07,Cc1csc(NC(=O)CCl)n1.Cl,90.4,94.9,91.9,96.979688,0,0,0,-1,0.16,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102280,4.63E-08,O=C(CCl)NCc1cccs1,94.3,81.3,82,97.128353,0.36,0,0,-1,0,0.22,0.22,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103080,6.79E-08,O=C(CCl)NCc1ccc(Cl)s1,79.6,61.2,73,97.150403,0.1,0,0,-1,0,0.79,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102291,9.03E-08,O=C(CCl)NC1CS(=O)(=O)CC1Cl,99.6,76.3,91.6,97.159137,-1,0,0,-1,0.12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102627,1.02E-09,C=CC(=O)Nc1ccc(C)cn1,96.7,84.1,78.8,97.431115,0,0,0.1,-1,0,0,0,0,0,0.28,0,0,0,0,0,0,0,0,0,0,0,0,0
PCM-0102852,8.87E-09,O=C(CCl)Nc1cccnc1N1CCCC1,105.6,100.1,115.3,97.58406,0,0,-1,-1,0,0,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102697,1.54E-07,CC1CC(=O)Nc2ccccc2N1C(=O)CCl,83.7,62.6,52.8,97.588052,0,0,0.1,-1,0.22,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102875,1.55E-07,N#Cc1ccc(NC(=O)CCl)cc1,36.6,46,4.3,97.640961,0.1,0,0,-1,0.14,0.08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102362,1.74E-07,O=C1CN(C(=O)CCl)c2ccccc2N1,79.8,92.6,61.4,97.644753,0,0,0,-1,0,0,0,0,0,0.21,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102415,1.84E-07,O=C(CCl)N1CCSc2ccccc21,30.2,60.6,22.4,97.77222,0,0,0,-1,0.1,0.16,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102949,7.98E-08,Cc1nn(C)c(C)c1NC(=O)CCl,93.9,83.8,99.6,97.802153,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102212,8.38E-08,CC(NC(=O)CCl)c1ccc(Cl)cc1Cl,37.4,58.2,37.3,97.832662,0,0,0,-1,0.54,0.18,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.54,0.52,0.83
PCM-0102722,4.60E-09,C=CC(=O)NC1(c2nnc[nH]2)CCC1,102.3,96.7,105.2,97.83982,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102104,1.58E-07,O=C(CCl)Nc1ccc2c(c1)OC1(CCCCC1)O2,5.9,62.1,1.4,97.933937,0.19,0,0.09,-1,0.08,0.47,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102259,1.08E-07,CN(CC(=O)NC(C)(C)C)C(=O)CCl,97.2,85.2,69,98.036814,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102445,7.94E-09,C=CC(=O)NC1c2ccccc2CC12CCOCC2,103.1,105.8,111,98.040756,-1,0,0,-1,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102251,1.96E-07,CC1CCC(C#N)(N(C)C(=O)CCl)CC1,16.5,55.4,3.9,98.070051,-1,0,0,-1,0.05,0,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0.05,0.08,0.2
PCM-0103084,8.37E-09,CCN(C(=O)CCl)C1=CCCCC1,106,97.8,119.5,98.079049,0,0.19,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102969,1.43E-07,CS(C)(=O)=NC(=O)CCl,96.1,97.5,101.8,98.120382,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102928,1.42E-07,CC(C)c1nnc(NC(=O)CCl)s1,85.3,77.9,81.8,98.323947,-1,0,0,-1,0.04,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102209,7.66E-08,O=C(CCl)Nc1cc2c(cc1Cl)OCO2,58.1,70.7,47.1,98.357046,0.14,0,0,-1,0.13,0.27,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102217,1.91E-07,O=C(CCl)Nc1ccc(F)c(Cl)c1,2.5,18.8,1.1,98.406489,0,0.13,0,-1,0,0.14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102256,1.10E-07,CC(NC(=O)CCl)c1ccccc1Br,39,67.3,27.3,98.422331,0.18,0,0,-1,0.19,0.29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102700,9.70E-08,N#Cc1ccc(Cl)cc1NC(=O)CCl,57.6,68.1,64.8,98.4839,0,0,0,-1,0.4,0.17,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102439,1.95E-08,C=CC(=O)N1CCOC2(CCc3ccccc32)C1,99.3,105,92.3,98.570196,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102211,1.13E-07,Cc1nnc(NC(=O)CCl)s1,99.8,86.7,90.5,98.638659,0,0,0.11,-1,0,0,0,0,0,0.07,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102299,8.32E-08,O=C(CCl)Nc1cc2c(cc1Br)OCCO2,15.8,62.8,12.6,98.647231,0,0,0.12,-1,0.27,0.67,0,0,0,0.13,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102654,6.25E-08,CCNC(=O)NC(=O)CCl,90.8,92.6,82.2,98.764037,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103079,1.40E-08,C=CC(=O)NCc1snnc1C,103.8,101.9,97,98.781055,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PCM-0102849,2.76E-08,C=CC(=O)N1CCCC(S(=O)(=O)N2CCOCC2)C1,107.2,97.2,97.9,98.82732,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102406,7.62E-08,O=C(CCl)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F,81.5,83.1,71.9,98.839733,0,0,0,-1,0,0,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102926,7.08E-08,O=C(CCl)Nc1ccc(Br)cc1F,50.9,59.9,32.5,98.859092,0,0,0,-1,0.17,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102833,4.29E-08,CC(C)(C)N(Cc1cccc(F)c1)C(=O)CCl,67.5,25.3,22.2,98.868353,0,0,-1,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102948,7.61E-08,CC(C)N(C(=O)CCl)C1CCCC1,88.4,101.5,84.3,98.872019,0,0,0,-1,0.13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102990,1.36E-08,CC(NC(=O)CCl)C(=O)O,101.6,115.1,103.3,98.99423,0,0,0,-1,0,-1,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0
PCM-0102351,9.84E-09,Cc1noc(NC(=O)CCl)n1,103,94.9,119,99.0025896,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103043,5.59E-08,COc1ccc(C)cc1NC(=O)CCl,81.3,79.1,63.7,99.2480504,0.11,0,0,-1,0.06,0.27,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102956,5.32E-09,C=CC(=O)Nc1cccc(C#N)c1,103.7,101.8,74.5,99.2880074,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102216,9.00E-08,CC1CCN(C(=O)CCl)c2ccccc2S1,77.3,52.4,42.4,99.334334,-1,0,0,-1,0.32,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,,,
PCM-0102509,5.33E-08,O=C(CCl)Nc1ccccc1I,95.5,91.1,99.4,99.3998819,0,0.1,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2
PCM-0103083,8.34E-09,C=CC(=O)NC1CCCn2nc(C)nc21,105.3,115.5,114.8,99.4248347,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102848,1.06E-07,O=C(CCl)Nc1ccc([N+](=O)[O-])cc1Br,54.1,68.4,47,99.5135835,0.19,0,0,-1,0.24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102437,7.21E-09,C=CC(=O)N1CCC(n2nnc3c2CCCC3)CC1,106,92.9,91.5,99.6618736,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102895,6.11E-08,CC(=O)Nc1ccc(NC(=O)CCl)c(C(F)(F)F)c1,97.1,91.7,82,99.6728608,0,0,-1,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102285,1.39E-07,CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CCl,21.6,53.5,2.2,99.7422506,0.12,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102572,3.60E-08,CC(NC(=O)CCl)C1CC2CCC1C2,92,91.1,80.7,99.8889514,0,0,0,-1,0,0,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102830,9.05E-08,CC1CN(C(=O)CCl)CCO1,100.9,99.1,85.9,99.95752772,0,0,0,-1,0,0,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0
PCM-0102775,5.98E-08,Cc1ccc(-c2nnc(C)[nH]2)c(NC(=O)CCl)c1,61.1,45,53,99.99401834,0,0,0,-1,0.13,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,,,
PCM-0102869,3.35E-08,CN(C(=O)CCl)C1=CCCC1,110.9,110.5,100.8,100.0003003,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102940,1.52E-07,O=C(CCl)N1CCOC2CCCCC21,93.7,95.8,74,100.210672,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102589,8.14E-08,COC(=O)c1ccccc1N(C)C(=O)CCl,92.1,89.7,58.9,100.2121111,0.14,0,0,-1,0.15,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102899,1.69E-07,CN(Cc1cnn(C)c1)C(=O)CCl.Cl,100.9,91.9,70.7,100.2277786,0,0,0,-1,0.08,0.26,0.11,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102896,1.09E-07,O=C(CCl)NCC1CCS(=O)(=O)C1,101.9,92.3,116.9,100.2571363,0,0,0,-1,0,0.23,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102963,4.65E-09,C=CC(=O)NC(O)C(Cl)(Cl)Cl,102.1,89.7,94.7,100.2666218,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102724,8.15E-09,C=CC(=O)NC(C)(C)c1noc(C(C)(C)C)n1,95.8,108.2,112.7,100.2737798,0,0,0,-1,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102172,1.45E-07,CC(=O)Nc1cccc(NC(=O)CCl)c1,35.9,53.4,4.7,100.3635547,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102334,7.80E-08,CC(NC(=O)CCl)c1ccc(Cl)cc1,78.4,67.8,68.5,100.4651303,0,0,0,-1,0,0.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.29
PCM-0102786,1.19E-07,CC(C)(C)OC(=O)N1CCN(C(=O)CCl)CC1,85.9,84,68.2,100.5288763,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102288,1.02E-07,O=C(CCl)Nc1cc(Cl)ccc1Cl,40.7,70.8,38.4,100.6348442,0,0,0,-1,0.06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102594,3.86E-08,CCN(C(=O)CCl)C1CC1,100.5,95.2,92.7,100.6526891,0.11,0,-1,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102664,9.49E-08,CC(C#N)(NC(=O)CCl)C1CC1,99.7,89.6,80.8,100.8180107,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102368,1.60E-07,CN(C(=O)CCl)c1ccccc1,37.4,58.3,25.4,100.8349045,0.17,0,0.13,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103070,2.57E-08,COCC(=O)NNC(=O)CCl,95.3,85.8,97.1,100.8685044,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102745,7.06E-08,O=C(CCl)N(C1=CCCCC1)C1CC1,96.2,88.3,98.7,100.9063715,0,0,-1,-1,0,0,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103037,1.41E-07,O=C(CCl)NC(=O)NCC(F)(F)F,89,78.2,95.7,100.9363049,-1,0,0.08,-1,0,0.3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102643,1.69E-08,C=CC(=O)Nc1ccnn1-c1ccccc1C,87.4,88.7,64.4,101.054536,0,0,0.28,-1,0.12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103058,1.49E-08,C=CC(=O)NC1CCN(C(=O)NCC)C1,94.4,93.3,108.8,101.097309,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102227,9.57E-08,O=C(CCl)Nc1ccc(Br)cn1,84.3,75.7,72.4,101.104079,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102874,1.38E-07,O=C(CCl)Nc1cc(F)cc(F)c1,14.3,58.3,3.1,101.129295,-1,0,0,-1,0.18,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.18,0.17,0.3
PCM-0102900,1.32E-07,CCN(C(=O)CCl)c1ccc(F)cc1,61.2,13.6,10.3,101.164296,0.24,0,0,-1,0.29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102831,1.66E-07,CC1CCN(C(=O)CCl)C2CCCCC12,14.7,6.8,5.6,101.218582,0.21,0,0.09,-1,0.37,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102183,1.14E-07,Cc1c(C#N)c(NC(=O)CCl)n(C2CCCC2)c1C,23.9,56.1,9.1,101.244786,0,0,0,-1,0.28,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102398,8.12E-08,Cc1ccc(C)c(NC(=O)CCl)c1,59.4,62.3,51.5,101.511583,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102665,1.24E-07,Cc1cc(NC(=O)CCl)n(-c2ccc(F)cc2)n1,57,67.6,20.6,101.616975,-1,0,0,-1,0,0.53,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102443,8.39E-09,C=CC(=O)N1CC2CC3CC(C2)CC1C3,99.9,115.2,97.7,101.838684,0,0,0,-1,0,0.24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102409,1.45E-07,O=C(CCl)Nc1ccc2c(c1)OCCCO2,29.6,51.7,6.9,101.842764,0,0,0,-1,0.1,0.23,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102600,8.53E-09,C=CC(=O)N1CCCC2(CCS(=O)(=O)C2)C1,106.6,121.1,98.9,101.918749,0,0,0,-1,0.05,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102474,1.30E-07,O=C(CCl)N1CCC2CCCCC2C1,24.3,54.4,15.3,101.971808,0,0,0.42,-1,-1,0,0,0,0.12,0,0,0,1,0,0,0,0,0,0,0,,,
PCM-0102419,1.42E-08,C=CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1,100.4,103.9,90.3,102.21444,0,0,0,-1,0.16,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.16,0.17,0
PCM-0102320,1.11E-07,Cc1ccc(NC(=O)CCl)cc1,29.1,63.2,8.7,102.281965,0,0,0,-1,0,0.24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.15
PCM-0102961,3.04E-09,C=CC(=O)Nc1cccc(Cl)c1,97.3,103.3,80.4,102.457636,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102153,8.81E-08,O=C(CCl)NC(=O)OCc1ccccc1,96,108.6,82.8,102.467021,-1,0,0,-1,0,0.79,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102973,4.97E-08,Cc1ccc(CNC(=O)CCl)s1,98,90.8,105.5,102.509081,0,0.19,0,-1,0.11,0.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.11,0.15,0
PCM-0102934,1.79E-07,CC(=O)NC1CCCN(C(=O)CCl)C1,100.5,90,81.8,102.592036,-1,0,0,-1,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102342,7.45E-08,CC(NC(=O)CCl)c1ccc2c(c1)OCCO2,93.8,87.2,73.1,102.604475,-1,0,0,-1,0.08,0.57,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.08,0.19,0.19
PCM-0102516,2.82E-08,CC(C)N(CC(F)(F)F)C(=O)CCl,102.7,108.9,105.8,102.701733,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102667,8.67E-10,C=CC(=O)Nc1cccc(Br)c1,97.1,89.4,86.4,102.789981,0.22,0,-1,-1,0.08,0.18,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102279,7.01E-08,CNC(=O)CNC(=O)CCl,107.6,97.3,112,102.817662,0,0.09,0,-1,0,0.1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,,,
PCM-0102417,1.79E-07,CS(=O)(=O)N1CCN(C(=O)CCl)CC1,89.4,78.8,70.1,102.920376,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102405,1.90E-07,Cl.O=C(CCl)N1CCN(C2CCS(=O)(=O)C2)CC1,107.2,87.8,90.2,102.958581,0,0,0.08,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102977,5.11E-08,COC(=O)c1cccc(NC(=O)CCl)n1,102.9,101.3,105.3,103.05624,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102645,7.15E-09,C=CC(=O)NC1CCOC2(CCS(=O)(=O)C2)C1,101.7,115.1,109.6,103.061058,0.1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102897,1.71E-07,CN(Cc1cc(C#N)ccc1F)C(=O)CCl,23.8,69.2,9.6,103.078402,0,0,0,-1,0.07,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102588,4.18E-08,Cc1n[nH]c(C)c1NC(=O)CCl,101.7,98.7,98.6,103.097411,-1,0,-1,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102599,6.63E-09,C=CC(=O)N1CC(c2nc(C)no2)C1,107.8,101.8,90.9,103.098449,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102346,9.31E-08,Cl.O=C(CCl)N1CCN(CC(=O)N2CCCC2)CC1,98.1,80.8,99,103.464532,-1,0,0.25,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102520,4.42E-09,C=CC(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)N2,100.9,105.9,106.9,103.472741,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102533,5.11E-09,C=CC(=O)Nc1cc(N)ccc1F,108.1,112.9,75.6,103.607141,0.15,0,0,-1,0,0,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0
PCM-0102328,1.48E-07,O=C(CCl)Nc1ccc(F)c(F)c1,14.3,30.4,1.4,103.628102,0.16,0.24,0,-1,0,0.31,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102702,7.87E-08,CCCNC(=O)NC(=O)CCl,91.6,91.6,82.9,103.63805,0,0,0,-1,0,0.22,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102772,1.25E-07,CSc1ccc(NC(=O)CCl)cc1,15.2,51.2,3,103.733131,0.24,0,-1,-1,0.13,0.28,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102995,5.03E-09,C=CC(=O)Nc1ccc(OC)c(F)c1,103.7,105.6,80.5,103.736147,0,0,0,-1,0,0,0,0,0,0.11,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102607,1.88E-09,C=CC(=O)N1CCCC(NC(=O)c2ccc(C(F)(F)F)cc2)C1,98.9,100.1,113.7,103.776417,0,0,0,-1,0,0,0,0,0,0.09,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102699,1.18E-07,Cc1cc(NC(=O)CCl)n(-c2ccccc2C)n1,58.9,81.6,36.9,103.855104,0,0,-1,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102619,7.92E-08,O=C(CCl)NC1CCN(C(=O)c2ccco2)CC1,105,100.6,84.6,103.864828,0,0,0,-1,0,0.1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102760,2.33E-07,O=C(CCl)N(C1CCCCC1)C1CCS(=O)(=O)C1,49.7,31.1,17.4,103.91631,-1,0,0,-1,0.08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102585,7.59E-08,O=C(CCl)Nc1cc2c(cc1Cl)OCCO2,38.7,68,15,103.943941,0.2,0,0,-1,0.12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102974,2.39E-07,CC(C)N(C)C(=O)C1CCN(C(=O)CCl)CC1,86.7,84,79.8,103.945042,0.17,0,0,-1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,,,
PCM-0102154,1.39E-07,O=C(CCl)Nc1cccc(I)c1,12.7,49,1.7,104.024668,0.16,0,0,-1,0.24,0.49,0,0,0,0.23,1,0,0,0,0,1,0,0,0,0,,,
PCM-0102879,8.22E-08,Cc1cc(C)c(C(C)NC(=O)CCl)cc1C,87.3,83.7,59.6,104.066302,-1,0,0,-1,0,0.17,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.1
PCM-0102762,1.35E-07,O=C(CCl)Nc1cc(Cl)ccc1F,11.4,49.4,2.4,104.085098,0,0,0,-1,0,0.13,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102785,1.31E-07,Cc1ccsc1CN(C)C(=O)CCl,22.2,56.7,36,104.15694,0.18,0,0,-1,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0.07,0.4
PCM-0102230,1.03E-07,CC1(NC(=O)CCl)CCS(=O)(=O)C1,104.9,92.7,92.6,104.214054,0,0,0.09,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102663,4.75E-08,CC1CCCC(NC(=O)CCl)C1C,98.5,103.8,87.3,104.223902,0.2,0.21,0,-1,0,0.29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102300,4.00E-08,CCc1cc(C(=O)NNC(=O)CCl)sc1C,45.9,74.3,75.8,104.261995,0,0,0,-1,0.11,0.83,0,0,0,0,0,0,0,0,1,0,0,0,0,0,,,
PCM-0102243,1.31E-07,Cl.O=C(CCl)N1CCN(Cc2cccs2)CC1,45.7,77.1,43.5,104.274947,0,0,0,-1,0.08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102312,8.67E-08,O=C(CCl)Nc1ccccc1Br,90.8,89.7,92.9,104.350606,0.12,0,0,-1,0.15,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102133,1.13E-07,Cl.O=C(CCl)N1CCN(CC(=O)N2CCOCC2)CC1,96.6,94.8,92.7,104.377911,0,0,0,-1,0,0.15,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102347,1.53E-08,C=CC(=O)Nc1ccc2c(c1)OCO2,108.8,105.5,79.7,104.388298,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102828,8.49E-08,CCC1CCCCN1C(=O)CCl,85.9,80.9,69.4,104.391013,-1,0,0.06,-1,0.04,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102583,2.82E-09,C=CC(=O)NC1CCCc2cnn(C(C)C)c21,105.2,120,96.8,104.465521,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102232,1.74E-07,O=C(CCl)Nc1ccccc1[N+](=O)[O-],75.4,81.8,73.9,104.477509,0,0,0,-1,0.24,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102789,5.56E-08,CC1CC(C)CN(C(=O)CCl)C1,102.4,83.1,61.8,104.500322,-1,0,0,-1,0,0.08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102146,1.70E-07,Cc1c(C#N)c(NC(=O)CCl)n(-c2cccc(F)c2)c1C,25,47.1,3.5,104.641004,0.2,0,0.11,-1,0.58,0.1,0,0,0,0.29,0,0,0,0,0,0,0,0,0,0,0.58,0.59,0.66
PCM-0102130,1.17E-07,Cc1c(Cl)cccc1NC(=O)CCl,26,48.1,4.9,104.692837,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102590,3.70E-08,O=C(CCl)Nc1cc(C(=O)O)ccc1Cl,103.1,102.3,110.4,104.737249,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102554,4.26E-08,CC(C)(O)CNC(=O)CCl,102.8,99.5,93.2,104.758986,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103041,5.91E-08,Cc1ccc(NC(=O)CCl)c(C)c1,75.7,70.5,49.9,104.783012,0,0,0,-1,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102307,3.61E-08,O=C(CCl)Nc1ccccc1C(=O)O,105.1,96.5,78.8,104.79415,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102584,1.52E-07,NC(=O)C1CCN(C(=O)CCl)CC1,104.8,97.9,89.8,104.813659,0.2,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PCM-0102843,2.47E-09,C=CC(=O)N1CC(C(=O)NC)C1,104.3,114.5,94.1,104.819816,0.18,0.23,0,-1,0,0.1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103045,1.11E-07,O=C(CCl)NC1CCOCC1,100.2,77.7,109.5,105.008038,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PCM-0102822,8.25E-08,CC1CCc2ccccc2N1C(=O)CCl,92.2,39.6,54.7,105.054252,0,0,0,-1,0,0,0,0,0,0.07,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102440,2.30E-09,C=CC(=O)NC1CCCCC1n1cccn1,91.4,100.3,98.5,105.059132,0,0,0,-1,0.08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102819,2.96E-08,O=C(CCl)NCC12CC3CC(CC(Br)(C3)C1)C2,109.4,95,99.3,105.068305,0,0,0,-1,0.05,0.63,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102207,2.00E-07,CC1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CCl,58.7,34.2,16.5,105.092694,0.12,0,0,-1,0.07,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102093,1.77E-07,Cl.O=C(CCl)N1CCN(c2ncccn2)CC1,57.5,83.3,63.9,105.316018,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102552,1.01E-07,Cc1ccc(CN(C)C(=O)CCl)c(C)c1,54.5,69.9,62.6,105.396696,0.14,0,0,-1,0.19,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102364,1.17E-07,O=C(CCl)Nc1cccc(F)c1,25,45.7,5.9,105.42345,0.52,0,0,-1,0.09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102998,4.59E-08,O=C(CCl)NNC(=O)CC1CCS(=O)(=O)C1,100.6,100.1,111.7,105.431484,0,0,0,-1,0,0.69,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102480,9.66E-09,C=CC(=O)NC1CCCN(c2cnn(C)c2)C1,99.5,96.4,91.8,105.503402,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102782,6.73E-08,CN(C(=O)CCl)C(C)(C)C#N,95.9,92.5,77.7,105.505254,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PCM-0102881,8.10E-08,O=C(CCl)NCC1COc2ccccc2O1,81,76.2,56.3,105.528042,0,0,0,-1,0,0.39,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.07,0
PCM-0102305,8.94E-08,Cc1cc(CNC(=O)CCl)ccc1F,85.5,80.7,57.8,105.564883,0,0.13,0,-1,0,0.59,0,0,0,0.09,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102783,9.00E-08,CC(c1ccc(F)cc1)N(C)C(=O)CCl,47.3,47.8,30.3,105.608857,-1,0,0,-1,0.19,0,0,0,0,0.15,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103012,1.19E-07,NS(=O)(=O)c1ccc(Cl)c(NC(=O)CCl)c1,54.7,67.1,11.9,105.610158,-1,0,0,-1,0,0.1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102546,2.86E-07,CC1(C)C(=O)Nc2ccccc2N1C(=O)CCl,48,78.5,57.2,105.624211,0,0,0.14,-1,0.18,0.32,0,0,0,0.21,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102129,1.30E-07,CC(=O)N1CCc2cc(NC(=O)CCl)ccc21,33.4,50.6,5.9,105.708943,0,0,0,-1,0.07,0.31,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102562,4.62E-09,C=CC(=O)NC1CC(C)(C)OC1(C)C,107.3,113.6,94.8,105.723084,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103074,6.49E-09,C=CC(=O)N1CCc2c(ncn(CC)c2=O)C1,101.4,115.2,100.4,105.818915,0,0,0,-1,0,0,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102959,7.98E-08,Cc1ccc(CNC(=O)CCl)cc1F,86.6,84,62.6,105.834232,0.23,0,0,-1,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102174,5.31E-08,O=C(CCl)NCc1cccc(Cl)c1,83.4,79.9,74.3,105.878995,0,0,0,-1,0,0.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.15
PCM-0102134,8.86E-08,Cc1cc([N+](=O)[O-])ccc1NC(=O)CCl,44.3,60.9,18.1,105.902271,0,0,0.11,-1,0.1,0.11,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102953,3.00E-08,O=C(CCl)NNC(=O)c1ccc(Cl)cc1,83,82.1,82.8,105.938348,0,0,0.17,-1,0,0.18,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102906,2.47E-08,COC(=O)CNC(=O)CCl,87.7,86.7,112.3,105.959885,0,0,0,-1,0,0.06,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0
PCM-0102787,9.27E-08,CN(Cc1ccccc1F)C(=O)CCl,57.7,72.2,57.9,105.97106,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102538,5.08E-08,O=C(CCl)NCc1ccccc1,99.8,95.1,89.6,105.98266,-1,0,0,-1,0,0.28,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102306,2.01E-07,O=C(CCl)N1CCN(C(=O)c2cccs2)CC1,39.9,63.6,12.9,106.04543,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102877,1.55E-07,CN(C)C(=O)c1ccc(NC(=O)CCl)cc1,67.6,61.7,30.5,106.052488,0.19,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102683,5.28E-09,C=CC(=O)N1CCCC1c1cc(C)on1,103.4,100.6,121,106.105147,0.18,0,0,-1,0,0.12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PCM-0102794,6.97E-08,O=C(CCl)NCC1CCCc2ccccc21,67.3,66.7,53.5,106.175375,0.16,0,0,-1,0,0.34,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103057,9.70E-08,Cc1cc(NC(=O)CCl)n(C(C)(C)C)n1,76.3,61.7,58.6,106.176564,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102887,7.21E-08,Cc1ccccc1NC(=O)CCl,90.2,69.6,55.1,106.208424,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.1
PCM-0102837,2.44E-07,O=C(CCl)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1,4.7,46.9,6,106.386172,-1,0,0.17,-1,0.18,0,0,0,0,0.17,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102924,1.80E-08,Cc1ccc(C(=O)NNC(=O)CCl)cc1,97.6,123,267.9,106.41583,0,0,0,-1,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102159,3.65E-07,O=C(CCl)N1c2ccccc2NC(=O)C12CCCC2,15.2,52.3,21.9,106.419384,0,0,0.1,-1,0.18,0,0,0,0,0.25,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102502,1.09E-07,CC(C)CNC(=O)NC(=O)CCl,78,80.7,52.7,106.44256,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102758,2.78E-07,NC(=O)c1ccccc1NC(=O)CCl,69.6,66.1,53.5,106.520684,0.15,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PCM-0102111,1.46E-08,C=CC(=O)Nc1ccc(F)cc1,94.8,90.5,68.5,106.52534,0,0.2,0,-1,0,0,0,0,0,0.13,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102543,5.90E-09,C=CC(=O)Nc1cc(-c2ccnn2C)ccc1C,102.8,133.8,93.5,106.57572,0,0,0,-1,0,0,0,0,0,0.54,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102099,1.20E-07,Cc1c(C#N)c(NC(=O)CCl)n(-c2ccc(F)cc2)c1C,33.6,53.9,11.6,106.627766,0.11,0,0,-1,0.17,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102844,3.20E-09,C=CC(=O)N1CCC(N)CC1.Cl,108.9,98.2,124.2,106.641043,0,0,-1,-1,0.2,0,0,0.25,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102542,2.79E-08,COC(=O)c1c(NC(=O)CCl)sc2c1CCC2,18.1,70.6,18.6,106.73705,0.25,0,0,-1,0.14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102637,2.47E-08,C=CC(=O)N1CCC(S(=O)(=O)C(C)C)CC1,98.6,119.3,101.5,106.762266,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PCM-0102701,3.01E-08,C=CC(=O)N1CCC(S(=O)(=O)N2CCCC2)C1,97.8,95.6,85.2,106.816614,0,0.12,0.1,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102576,1.00E-08,O=C(CCl)Nc1c(Cl)cc(Cl)cc1C(=O)O,100.3,104.9,100.4,106.827351,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102345,1.88E-07,CN(C)C(=O)c1cccc(NC(=O)CCl)c1,52.9,61.4,13.8,106.98196,0,0,0,-1,0.1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102981,2.14E-08,CC(C)(C)OC(=O)CNC(=O)CCl,105.8,109.2,105.5,106.986103,0.31,0.18,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102122,1.12E-07,O=C(CCl)NC(=O)NCc1ccccc1,54.8,76.9,65.5,107.094023,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102519,7.11E-09,C=CC(=O)N1CCCN(C(=O)C2CCCO2)CC1,98.2,107.6,95.5,107.259569,0.09,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PCM-0102668,9.57E-09,O=C(CCl)NCc1ccc(Cl)cc1,108.1,112.4,83.7,107.409974,0,0,0,-1,0,-1,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102096,9.22E-08,CC(NC(=O)CCl)c1ccc(Cl)c(Cl)c1,28.9,58.1,21.3,107.465674,0,0,0,-1,0.51,0.26,0,0,0,0.12,0,0,0,0,1,0,0,0,0,0,,,
PCM-0103020,3.85E-08,O=C(CCl)NCC1Cc2ccccc2O1,99.1,88.9,87.1,107.519546,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102865,8.99E-08,CN(Cc1ccsc1)C(=O)CCl,49.6,76.1,34,107.650292,0,0,0,-1,0.09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102176,6.17E-08,Cc1cccc([N+](=O)[O-])c1NC(=O)CCl,85.3,71.7,77.5,107.902085,0,0,0,-1,0.22,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102203,1.14E-07,NC(=O)C1CCCCN1C(=O)CCl,79.7,75.3,50.7,108.001295,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.12
PCM-0103061,1.17E-07,O=C(CCl)NNC(=O)C1CCC1,8.2,30.9,2.3,108.129688,0,0,0.17,-1,0.28,0.14,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102427,8.34E-08,O=C(CCl)Nc1nncs1,89.6,91,99.2,108.217874,0,0,0.2,-1,-1,0,0,0,0.12,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102505,6.69E-08,O=C(CCl)Nc1ccc(Br)cc1Cl,41.7,74.6,31.6,108.276514,-1,0,0.09,-1,0.59,0.07,0,0,0,0.19,0,0,0,0,0,0,0,0,0,0,0.59,0.57,0.74
PCM-0102160,1.28E-07,O=C(CCl)N1CCc2ccccc21,6.1,44.6,16.3,108.305734,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102434,1.17E-07,CC1CCCCN1C(=O)CCl,89.1,82.7,71.3,108.308249,-1,0,0,-1,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102127,5.32E-08,O=C(CCl)Nc1ccc(Cl)cc1C(=O)O,100.5,104.3,86.8,108.332013,0,0,0.46,-1,0,0.1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102132,7.85E-08,CC(C)c1cc(NC(=O)CCl)on1,70.9,69.9,70.6,108.469791,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102916,2.73E-07,CN(C(=O)CCl)C1(C#N)CCCCC1,38,47.6,7.5,108.517382,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102935,9.78E-08,O=C(CCl)NC1(c2ccccc2)CCC1,81.5,89.7,53.8,108.527781,0,0,0,-1,0.29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103039,7.67E-09,C=CC(=O)Nc1cc(F)cc(F)c1,86.7,93.3,67.1,108.583919,0.19,0,0,-1,0.06,0,0,0,0,0.39,0,0,0,0,0,0,0,0,0,1,,,
PCM-0102436,1.58E-07,CCC1CN(C(=O)CCl)CCO1,85.5,79.3,71.4,108.609434,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102624,3.88E-08,Cc1ccc(C(=O)O)cc1NC(=O)CCl,101.5,107.8,86.2,108.696106,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102236,7.86E-08,COc1ccccc1NC(=O)CCl,71,79,58.4,108.759839,0,0,0,-1,0,0.28,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102499,5.49E-09,C=CC(=O)Nc1ccc2c(c1)NC(=O)CO2,103.7,107.6,71.7,108.773743,0,0,0,-1,0.1,0,0,0,0,0.37,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102891,1.66E-07,O=C(CCl)Nc1ccc(Cl)nc1,31.5,33.2,9,108.799309,0.23,0,0,-1,0.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102882,1.75E-09,C=CC(=O)NC1CNC(=O)C1,107.5,99.1,97.3,108.848301,0.14,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102498,1.36E-07,CC12CCC(CC1=NNC(=O)CCl)C2(C)C,25.9,14.6,2.2,108.85905,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103000,8.94E-09,C=CC(=O)Nc1ccccc1C,97,121.2,94.2,108.902849,0,0,0,-1,0,0.12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102832,9.21E-08,O=C(CCl)N(C1CC1)C1CCS(=O)(=O)C1,88.7,85.1,67.9,108.926725,0,0,0.28,-1,0,0.43,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102764,1.10E-07,COC(=O)c1ccc(Cl)c(NC(=O)CCl)c1,16.7,39.9,5.7,108.949638,-1,0,0,-1,0.07,0.29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.07,0.09,0.2
PCM-0102921,3.02E-08,CN1CCN(C(=O)CCl)CC1,102,109.4,90.1,108.951891,0,0,-1,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102284,1.19E-07,O=C(CCl)Nc1cc(F)ccc1F,38.2,58.8,17.7,108.969273,0,0,0,-1,0,0.28,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102805,8.26E-09,C=CC(=O)Nc1cc(C)on1,75.8,78.2,61.9,109.118502,0.46,0,0.38,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102504,8.87E-08,CC(C)NC(=O)NC(=O)CCl,92,81.5,66.9,109.231315,0,0,0.08,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102478,1.07E-07,CC(c1ccccc1)N(C)C(=O)CCl,27.5,60.7,27.5,109.42289,0,0,0,-1,0.1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102671,7.08E-08,O=C(CCl)NCc1ccco1,102.5,86,86.2,109.614028,0,0,0,-1,0,0.35,0,0,0.11,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102727,7.03E-09,C=CC(=O)NCc1nnc(C(C)(C)C)s1,104.9,108.1,100.1,109.617131,0,0,0,-1,0,0.18,0,0,0,0.27,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102383,1.99E-07,Cc1cc(NC(=O)CCl)n(C)n1,64.5,54.4,31.2,109.645125,-1,0,0.14,-1,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102820,7.04E-08,O=C(CCl)NC1CCC2(CC1)OCCO2,106.6,96.8,111.3,109.77099,0,0,0,-1,-1,0.13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103014,2.46E-08,CC(C)C(=O)NNC(=O)CCl,98.8,95.1,126.1,109.801575,0,0,0,-1,0,0.09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103049,2.38E-09,C=CC(=O)NC1(C#N)CCOC1,99.3,95.7,114.7,109.83336,0,0,0,-1,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102244,5.25E-09,O=C(CCl)Nc1nc(-c2ccc(F)c(F)c2)cs1,6.9,76.5,0.9,109.911534,0,0.15,0,-1,0.53,0.29,0,0,0,0.75,0,0,0,0,1,0,0,0,0,0,,,
PCM-0102494,9.90E-08,O=C(CCl)NC(=O)NCc1ccco1,75.2,85.4,86.6,110.03105,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102463,1.15E-08,C=CC(=O)N1CCC(S(=O)(=O)NC)C1,97.2,104.1,99.6,110.04563,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102841,7.32E-07,COC(=O)C1Cc2ccccc2CN1C(=O)CCl,96.4,77.3,60.3,110.16736,-1,0,-1,-1,0.19,0.41,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102919,1.16E-08,O=C(CCl)N1CCN(Cc2ccccc2)C1=O,101.8,96.2,90.9,110.17149,0,0,0,-1,0,0.1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102838,1.06E-07,CC(=O)c1sc(NC(=O)CCl)nc1C,96,92.1,87.2,110.20814,0,0,0,-1,0.12,0,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102827,5.35E-08,COC(=O)C1(NC(=O)CCl)CCC(C)CC1,102.4,96.8,93.6,110.21786,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102195,8.54E-09,O=C(CCl)NC(=O)c1ccco1,98,108.9,87.3,110.5584,-1,0,0,-1,0,0,0,0,0,0.1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102855,2.29E-08,CC(C)(C)C(=O)NNC(=O)CCl,98.2,93.1,87.8,110.61037,0,0,0.1,-1,0.07,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103052,6.26E-08,Cc1nc(-c2ccc(C)c(NC(=O)CCl)c2)n[nH]1,57,43.4,39.1,110.70788,0.14,0,0,-1,0.12,0.09,0,0,0,-1,0,0,0,0,1,0,0,0,0,0,0.12,0.16,0.15
PCM-0102245,1.83E-07,NC(=O)C1CN(C(=O)CCl)c2ccccc2O1,58.4,60.8,31.8,110.71568,0.22,0,0,-1,0.12,0.15,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102561,2.79E-09,C=CC(=O)NCc1cnn2ccccc12,107.8,124,95.2,110.76576,0.11,0,-1,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102408,7.35E-08,Cc1ccc(NC(=O)CCl)c(Cl)c1,35.9,78.1,38.1,110.78955,-1,0,0,-1,0.18,-1,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102114,9.62E-08,CC(=O)Nc1ccc(NC(=O)CCl)cc1,69.9,57.7,56,110.83499,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102324,1.19E-07,O=C(CCl)Nc1ccc2c(c1)OCCO2,35.2,63.3,8.2,110.9062,0,0,0.49,-1,-1,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102192,5.72E-08,O=C(CCl)NCc1ccc(F)cc1,86.9,76.1,77.8,110.92823,0,0,0,-1,0,0.31,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102423,3.14E-09,C=CC(=O)N1CCC(n2cc(C)cn2)CC1,103.7,108.5,92.5,110.94104,0,0,0,-1,0,0.09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PCM-0102907,3.18E-08,O=C(CCl)Nc1ccccc1O,106,95.4,80.8,110.99799,-1,0,0.42,-1,0.36,-1,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103062,4.01E-08,O=C(CCl)NC1CCSC1=O,97.6,88.2,90.7,111.00583,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102522,1.13E-08,C=CC(=O)N1CCCC(NS(C)(=O)=O)C1,105.8,112.3,106.4,111.01121,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102880,2.36E-08,COC(=O)C1CN(C(=O)CCl)c2ccccc2O1,112.1,96.4,97.5,111.03614,0,0,0,-1,0,0.11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102920,1.99E-07,O=C(CCl)N1CCC(c2nc3ccccc3o2)CC1,40.1,70,21.4,111.20295,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102276,1.25E-07,O=C(CCl)Nc1ccc(OC(F)(F)F)cc1,13.3,64.9,9.2,111.32412,0.22,0,0,-1,0.24,0.36,0,0,0,0.17,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102109,2.11E-08,O=C(CCl)NC1CCCCNC1=O,94.1,102.8,108.8,111.39716,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102495,1.94E-07,NC(=O)C1CCCN(C(=O)CCl)C1,92.7,93,81.7,111.40848,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102178,2.98E-07,CN(C(=O)CCl)C1CCS(=O)(=O)C1,56.9,72.1,31.5,111.41117,0,0,0.13,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102222,5.40E-09,O=C(CCl)NC(=O)c1cccs1,110,104.6,108.9,111.42118,0,0.2,0,-1,0,0,0,0,0,0.07,0,0,0,0,0,0,0,0,0,1,,,
PCM-0102544,1.38E-07,O=C(CCl)Nc1cc([N+](=O)[O-])ccc1F,1.6,2.5,1.8,111.61608,-1,0,0,-1,0,0.31,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102163,1.14E-07,O=C(CCl)Nc1ccc(O)cc1,67.8,60.5,38.2,111.63897,0.4,0,0,-1,0,0.16,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102238,2.11E-07,O=C(CCl)Nc1ccc(F)c([N+](=O)[O-])c1,1,3.7,0.8,111.64217,0.22,0,0.1,-1,0.23,0.32,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102954,3.90E-08,O=C(CCl)NNC(=O)c1ccccc1Cl,91.9,72.3,91.3,111.88537,0,0,0,-1,0,0.8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102864,7.51E-08,O=C(CCl)NC1CCC(C(F)(F)F)CC1,99.2,108.7,82.7,111.8881,-1,0,0,-1,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102384,3.79E-08,O=C(CCl)NNC(=O)C1COc2ccccc2O1,86.6,70.3,90.7,111.90635,0,0,0.13,-1,0,0.27,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102733,5.74E-08,O=C(CCl)NCc1ccc(F)cc1C(F)(F)F,86.6,79.1,68.8,112.0684,0,0,0.11,-1,0.06,0.33,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102537,1.83E-09,C=CC(=O)Nc1ccc(Cl)cc1,95.5,89.3,81.5,112.11042,0,0,0,-1,0.12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102456,1.04E-08,O=C(CCl)NCC(F)(F)F,102.3,99.4,91.9,112.30823,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102518,1.01E-07,CNC(=O)C1CCCN1C(=O)CCl,100.7,93.3,67.8,112.54331,0,0,0,-1,0,0,0.78,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PCM-0102190,8.39E-08,CC(NC(=O)CCl)c1cccc(Cl)c1,69.6,73.2,49.3,112.60597,0,0,0,-1,0.42,0.37,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102116,1.30E-07,Cc1cccc(NC(=O)CCl)c1,33.7,66.4,9,112.64798,0.2,0,0,-1,0,0.11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2
PCM-0102500,1.18E-07,Cc1cc(NC(=O)CCl)no1,66.8,73.3,60.3,112.70103,0,0,0,-1,0,0.35,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102234,3.80E-08,O=C(CCl)Nc1c(Cl)cccc1Cl,96.3,77.5,101,112.84311,0,0,0,-1,0.64,-1,0,0.45,0,-1,0,0,0,0,1,0,0,0,0,0,0.64,0.32,0.13
PCM-0102870,1.78E-07,O=C(CCl)N1CCOCC1C1CC1,80.6,89.5,56.7,112.84723,0.2,0,0,-1,0.17,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103034,2.60E-09,C=CC(=O)Nc1ccc(OC)cc1,102.8,101,84,112.90518,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103053,1.45E-10,C=CC(=O)NC(C)c1ccc(C(F)(F)F)nc1Cl,99.6,112.8,85.5,112.93137,0,0,0.09,-1,-1,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102247,4.66E-08,O=C(CCl)Nc1cc(F)ccc1C(=O)O,106,95.7,97,113.02255,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PCM-0102481,5.50E-09,C=CC(=O)NCC1CC12CCOCC2,97,109.6,103.2,113.19602,0.32,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102497,3.65E-08,Cl.O=C(CCl)NCc1cccnc1,105.6,90.2,106.8,113.27137,-1,0,0,-1,0,0.05,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102180,8.17E-08,CC(NC(=O)CCl)c1cccs1,93.5,78.5,75.1,113.31462,-1,0.24,0,-1,0.16,0.55,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102120,1.37E-07,O=C(CCl)Nc1ccc(Cl)cc1,16.7,55.2,2.7,113.3397,0.35,0,0,-1,0.18,0.23,0,0,0,0.29,1,0,0,0,0,0,0,0,0,1,,,
PCM-0102535,2.81E-07,CC(=O)N1CCN(C(=O)CCl)CC1,85.7,82.8,37.6,113.3881,0.19,0.2,0.08,-1,0.06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102742,6.44E-09,C=CC(=O)Nc1ccccc1[N+](=O)[O-],41.2,66.4,65.8,113.49631,0.43,0,0.13,-1,0.41,0,0,0,0,0.12,1,0,0,0,0,0,0,0,0,0,,,
PCM-0102860,3.62E-09,O=C(CCl)Nc1ccccc1N1CCCCC1,111.1,109.2,97.5,113.68446,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102735,2.82E-08,C#Cc1cccc(NC(=O)CCl)c1,90.9,85.7,87,113.78508,0,0,0.09,-1,0,0.09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102839,9.01E-09,C=CC(=O)NCc1ccc(F)cc1,104.7,110.9,87.3,114.03266,0,0,0.33,-1,0,0,0,0,0,0.28,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102501,6.90E-08,Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCl,83.2,68.3,62.2,114.07143,0,0,0,-1,0.09,0.09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103008,1.41E-07,O=C1CN(C(=O)CCl)CCN1,95.3,92.8,86.5,114.39654,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102196,5.38E-08,Cc1ccc(NC(=O)CCl)c(Br)c1,49.2,87.6,45.5,114.44264,0.18,0,0.54,-1,0.2,0.14,0,0,0,0.53,0,0,1,0,0,0,0,0,0,1,,,
PCM-0102177,2.37E-07,Cc1ccc(NC(=O)CCl)cc1S(N)(=O)=O,8.9,28.2,1.4,114.56983,0,0,0,-1,0.1,0.27,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102162,2.58E-07,NS(=O)(=O)c1cccc(NC(=O)CCl)c1,17.4,35.4,1.1,114.88542,0,0,0,-1,0,0.58,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103051,1.69E-07,CCC1c2ccsc2CCN1C(=O)CCl,13.5,14,6,114.98269,-1,0,0.06,-1,0.3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102426,1.49E-08,O=C(CCl)NNC(=O)c1cccs1,86,88.7,82.8,115.19334,0,0,0,-1,0,0.6,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102240,1.21E-08,O=C(CCl)NNC(=O)c1ccccc1,98.1,85.6,92.4,115.29983,0,0,0,-1,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102470,2.08E-08,O=C(CCl)NNC(=O)c1cccc(Cl)c1,84.7,81.3,94.8,115.32129,0,0,0,-1,0,0.38,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102204,1.63E-07,COC(=O)c1ccc(NC(=O)CCl)cc1,22.5,56.2,3.8,115.34418,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102878,1.40E-08,C=CC(=O)Nc1ccc(C)c(F)c1,102.4,97.9,78.8,115.64229,-1,0,0,-1,0,-1,0,0,0,0.21,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102748,1.39E-07,CC(C)N1CCC(NC(=O)CCl)CC1.Cl,90.9,90.3,97,115.67371,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102808,1.35E-08,C=CC(=O)N1CCCC2(CNC(=O)O2)C1,103.4,113.1,101.9,115.6754,0,0,0,-1,0,0.13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102738,1.36E-07,O=C(CCl)Nc1ccc2c(c1)OC(F)(F)O2,30,72.2,14.2,115.7942,0.33,0,0,-1,0,0.41,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102914,7.66E-08,O=C(CCl)Nc1ccc(Cl)cc1Cl,52.5,82.7,38.3,115.82588,0.13,0,0,-1,0.22,0.14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102453,6.61E-09,C=CC(=O)Nc1ccc(Cl)c(C#N)c1,85.7,86.4,59.5,116.19055,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102856,1.36E-09,C=CC(=O)Nc1ccccc1F,106,118.8,84,116.21851,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102523,6.02E-09,C=CC(=O)NCC1CCOC2(CCC2)C1,101.8,116.6,90.4,116.28846,0.15,0,0.13,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102157,3.70E-08,CC(NC(=O)CCl)C1CC1,87.6,103.1,111,116.38545,0,0,0.26,-1,0,0.1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0
PCM-0102766,1.30E-09,C=CC(=O)NCC1CCCCC1,97.5,114,79,116.4009,0,0,0,-1,0.05,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102858,8.74E-08,Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCl,58.6,66.6,19.2,116.43065,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103059,3.31E-09,C=CC(=O)N1CC(Oc2ccc(C#N)cc2)C1,98.1,90.8,73.3,116.78395,0,0,0,-1,0,0.07,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102197,8.31E-08,Cc1cc(NC(=O)CCl)on1,74.3,87.9,68.5,116.86042,0,0,-1,-1,0,0,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102167,1.45E-08,Cc1cccc(C(=O)O)c1NC(=O)CCl,101.3,101.8,103.5,116.86193,-1,0,0.36,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102823,1.05E-07,O=C(CCl)N1CCC2(CC1)OCCO2,98.2,99.2,91.5,117.04106,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102493,5.26E-09,C=CC(=O)Nc1ccccc1OC,98.2,105.4,74.7,117.3707,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102557,1.06E-08,C=CC(=O)N1CCC(NC(=O)c2cc(C)on2)CC1,100.9,100.7,83.7,117.52761,-1,0,0.29,-1,0,-1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,,,
PCM-0102187,3.37E-08,O=C(CCl)Nc1nnc(C2CC2)o1,105.8,114.1,97.2,117.62776,0.16,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102817,7.71E-08,CC(C)(C)NC(=O)CNC(=O)CCl,101.5,87.5,100.9,117.86452,-1,0,0,-1,0,0.41,0,0,0,0.16,0,0,0,0,0,0,0,0,0,1,,,
PCM-0102141,8.64E-08,CS(=O)(=O)c1ccccc1NC(=O)CCl,96.8,98.2,96.8,117.9209,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102225,6.93E-08,N#Cc1cnn(-c2ccccc2)c1NC(=O)CCl,99,81,91,118.18045,0,0,0,-1,0.16,-1,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0.16,0,0.2
PCM-0102428,2.16E-08,CC1(c2ccccc2)NC(=O)N(NC(=O)CCl)C1=O,91.2,81.4,103.4,118.22675,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102117,7.23E-08,CC(NC(=O)CCl)c1cc2ccccc2o1,71,70.7,62.9,118.32213,0.17,0,0,-1,0.12,0.41,0,0,0,0.25,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102147,3.15E-08,Cc1nnc(NC(=O)CCl)o1,102.2,106.6,92.2,118.45083,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102540,4.20E-09,CC(C)(C)NC(=O)NC(=O)CCl,110.8,140.4,113,118.45605,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PCM-0102184,2.22E-07,CN(Cc1c(F)cccc1Cl)C(=O)CCl,9.3,42.2,4.9,118.57588,0.19,0,0,-1,-1,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102741,1.39E-08,O=C(CCl)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,102.3,110.7,118.2,118.89733,0.16,0,0,-1,0,0.1,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102796,1.81E-07,CC1CN(C(=O)CCl)CC(C)O1,92.9,76.2,66.2,118.90001,0,0,0.1,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102110,7.16E-08,CC(NC(=O)CCl)c1ccccc1Cl,70.8,74.2,65.7,118.94014,0,0,0,-1,0,0.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.19
PCM-0102142,4.72E-08,O=C(CCl)NNC(=O)c1cc2c(s1)CCCC2,49,62.6,52.6,118.95772,0.26,0,0.1,-1,0.09,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102780,5.23E-08,Cc1noc(C)c1CNC(=O)CCl,102.2,94.9,100.6,119.17622,0,0,0,-1,0.11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102098,1.50E-07,Cc1ccc([N+](=O)[O-])cc1NC(=O)CCl,1.1,2,1.2,119.63231,0.16,0,0,-1,0.12,0.33,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102734,4.92E-08,COC(=O)C1(NC(=O)CCl)CCCCC1,98.3,95.1,112,120.06478,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102815,2.04E-07,CNC(=O)C1CCN(C(=O)CCl)CC1,92.2,95.1,77.1,120.1649,-1,0,0.36,-1,0,0.08,0,0,0,0.23,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102851,2.86E-08,COC(=O)c1cccc(NC(=O)CCl)c1O,105.5,115.8,107.7,120.36352,-1,0,0,-1,0.1,0.23,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102165,9.55E-08,Cc1cc(S(N)(=O)=O)cc(NC(=O)CCl)c1C,34.5,61.3,8.3,121.56278,0,0,0.08,-1,0.09,0.12,0,0,0,0.12,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102413,1.11E-08,C=CC(=O)Nc1cccc(F)c1C,100.1,86,86.8,121.57014,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102740,1.45E-08,C=CC(=O)Nc1ccc([N+](=O)[O-])cc1,77.4,71.6,87.6,121.61973,0,0,0.13,-1,0.05,0,0,0,0,0.69,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102105,2.08E-07,CCN(C(=O)CCl)C1CCS(=O)(=O)C1,95,68.1,54.9,121.70367,0.2,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102115,1.50E-08,COc1ccc(C(=O)NNC(=O)CCl)cc1,91.7,81.5,79.4,121.95365,-1,0,0,-1,0.11,-1,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,,,
PCM-0103054,8.77E-09,C=CC(=O)NC1(C(=O)N2CCN(C)CC2)CCCC1,99.9,109.4,110,122.69202,0,0.08,0.2,-1,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102847,8.39E-09,C=CC(=O)N1CCc2ncsc2C1,104.3,110.1,104.8,123.27775,0,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102205,2.12E-08,CCC1(C)NC(=O)N(NC(=O)CCl)C1=O,96.9,85.3,88,123.29905,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102761,2.27E-08,O=C(O)C1Cc2ccccc2CN1C(=O)CCl,98.1,91.2,95.9,123.55699,0,0,0,-1,0.21,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,,,
PCM-0102161,8.14E-09,CCC(C)(C)NC(=O)CCl,99.3,100.3,116.1,123.81168,0,0,0,-1,0,0.09,0,0,0,0,0,0,0,0,0,1,0,0,0,0,,,
PCM-0102422,6.08E-09,O=C(CCl)NC(=O)c1ccccc1Cl,99.7,109.5,93,123.96428,0.19,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102103,1.94E-07,CCN1CCC(NC(=O)CCl)CC1.Cl,96,84.1,66.8,125.47734,-1,0,0.12,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102140,1.91E-06,COc1ccc(NC(=O)CCl)cn1,62,63.7,44.3,133.64707,-1,0,0,-1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102412,3.37E-08,O=C(CCl)Nc1cc(Cl)ccc1C(=O)O,99.3,100,89.4,136.1546,0,0,0,-1,0.16,0.07,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,
PCM-0102430,2.62E-08,O=C(CCl)NNC(=O)c1ccc(F)cc1,94.9,93.2,93.4,141.21846,0,0,0,-1,0,0.31,0,0,0,0,0,0,0,0,0,0,0,0,0,0,,,