ASSAY_ID ASSAY PROJECT PLATE WELL WELL_TYPE RAW_VALUE_A BSUB_VALUE_A Z_SCORE_A RAW_VALUE_B BSUB_VALUE_B Z_SCORE_B COMPOSITE_Z REPRODUCIBILITY CHEMBANK_ID VIRTUAL_ID SMILES 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 A01 compound treatment 0.248 -0.00358 -0.18 0.237 -0.0109 -0.56 -0.5229 -0.8861 3173 Maybridge2_000001 CCOC(=O)c1c(N)sc2CN(Cc3ccccc3)CCc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 A02 compound treatment 0.24 -0.0116 -0.57 0.213 -0.0349 -1.8 -1.6751 -0.8878 2074535 Maybridge2_000002 CCN(CC)C(=O)Oc1ccc(Br)cc1C(=O)Nc2cc(Cl)cc(Cl)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 A03 compound treatment 0.251 -5.81E-4 -0.03 0.244 -0.00394 -0.2 -0.1636 -0.799 2074536 Maybridge2_000003 CN1CCc2ccccc2C1Cc3ccccc3NS(=O)(=O)c4cccc(c4)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 A04 compound treatment 0.241 -0.0106 -0.52 0.235 -0.0129 -0.67 -0.8394 -0.9926 2074537 Maybridge2_000004 Fc1cccc(Cl)c1CN(Cc2c(F)cccc2Cl)OC(=O)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 A05 compound treatment 0.232 -0.0196 -0.96 0.224 -0.0239 -1.23 -1.5533 -0.9926 2074538 Maybridge2_000005 CCN(CC)/C=C/c1nnnn1c2ccc(Br)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 A06 compound treatment 0.248 -0.00358 -0.18 0.241 -0.00694 -0.36 -0.3772 -0.9471 2074539 Maybridge2_000006 Brc1cc(Br)cc(CN2CCOCC2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 A07 compound treatment 0.244 -0.00758 -0.37 0.237 -0.0109 -0.56 -0.6622 -0.9801 2074540 Maybridge2_000007 CN1C2CCC1CC(C2)NC(=O)Nc3ccc(OC(F)(F)F)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 A08 compound treatment 0.251 -5.81E-4 -0.03 0.227 -0.0209 -1.08 -0.7824 -0.7256 2074541 Maybridge2_000008 Clc1ccc(cc1)S(=O)(=O)Oc2cccc(c2)N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 A09 compound treatment 0.25 -0.00158 -0.08 0.254 0.00606 0.31 0.1656 0.5149 1619298 Maybridge2_000009 CN1C2CCC1CC(C2)NC(=O)CSCc3ccc(Cl)cc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 A10 compound treatment 0.243 -0.00858 -0.42 0.236 -0.0119 -0.61 -0.7334 -0.9833 2074542 Maybridge2_000010 COc1ccc(cc1)S(=O)(=O)N2CCCC2c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 A11 compound treatment 0.242 -0.00958 -0.47 0.233 -0.0149 -0.77 -0.8774 -0.9725 1346942 Maybridge2_000011 CN1C2CCC1CC(C2)NC(=O)CSc3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 A12 compound treatment 0.246 -0.00558 -0.27 0.242 -0.00594 -0.31 -0.4105 -0.9986 1121004 Maybridge2_000012 Clc1ccc(cc1)c2csc(n2)c3ccc(cc3)S(=O)(=O)N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 A13 compound treatment 0.261 0.00942 0.46 0.254 0.00606 0.31 0.5487 0.9814 2074543 Maybridge2_000013 CCN(C(Cc1ccccc1)c2ccc(OC)cc2)C(=O)c3c(C)onc3c4ccccc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 A14 compound treatment 0.342 0.0904 4.45 0.34 0.0921 4.74 6.5003 0.9995 2074544 Maybridge2_000014 CCn1cc(C(=O)Nc2ccccc2)c(=O)c3cc(Cl)ccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 A15 compound treatment 0.239 -0.0126 -0.62 0.233 -0.0149 -0.77 -0.9819 -0.9943 2074545 Maybridge2_000015 Oc1c(Cl)cc(Cl)cc1C2N3CCCCC3Cn4cccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 A16 compound treatment 0.238 -0.0136 -0.67 0.242 -0.00594 -0.31 -0.6891 -0.937 2074546 Maybridge2_000016 COc1ccc(cc1Br)C2NN=C3C2N4CCC3CC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 A17 compound treatment 0.238 -0.0136 -0.67 0.233 -0.0149 -0.77 -1.0167 -0.9976 2074547 Maybridge2_000017 Cc1cc(C)c(NC(=O)N2CCCC2)c3CC(C)(C)C(=O)c31 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 A18 compound treatment 0.239 -0.0126 -0.62 0.235 -0.0129 -0.67 -0.9091 -0.9993 2074548 Maybridge2_000018 Cn1ncc(Br)c1NC(=O)CN2CCCCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 A19 compound treatment 0.24 -0.0116 -0.57 0.234 -0.0139 -0.72 -0.9107 -0.9935 2074549 Maybridge2_000019 OC(=O)c1cc(NC(=O)/C=C/c2cccs2)ccc1N3CCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 A20 compound treatment 0.246 -0.00558 -0.27 0.241 -0.00694 -0.36 -0.4469 -0.9916 1231779 Maybridge2_000020 Clc1cc(Cl)cc(NC(=O)N2CCN(Cc3ccccc3)CC2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 A21 compound treatment 0.231 -0.0206 -1.01 0.244 -0.00394 -0.2 -0.8601 -0.832 2074550 Maybridge2_000021 CS/C(=N/c1cc(cc(c1)C(F)(F)F)C(F)(F)F)/N2CCOCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 A22 compound treatment 0.249 -0.00258 -0.13 0.252 0.00406 0.21 0.058 0.237 2074551 Maybridge2_000022 C(NC1Cc2ccccc2C1)c3nc(no3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 A23 mock treatment 0.228 -0.0236 -1.16 0.227 -0.0209 -1.08 -1.5834 -0.9993 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 A24 mock treatment 0.21 -0.0416 -2.05 0.212 -0.0359 -1.85 -2.7563 -0.9987 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 B01 compound treatment 0.259 0.00742 0.37 0.257 0.00906 0.47 0.5883 0.9927 2074552 Maybridge2_000023 Fc1ccc(cc1)C(=O)C2CCN(Cc3c[nH]nc3c4ccccc4)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 B02 compound treatment 0.257 0.00542 0.27 0.253 0.00506 0.26 0.373 0.9999 2074553 Maybridge2_000024 O=S(=O)(Nc1ccc(cc1)N2CCCCC2)c3ccc(s3)c4ccccn4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 B03 compound treatment 0.254 0.00242 0.12 0.25 0.00206 0.11 0.1593 0.9983 1413006 Maybridge2_000025 Cc1cc(C)cc(NC(=O)N2CCN(Cc3ccncc3)CC2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 B04 compound treatment 0.268 0.0164 0.81 0.263 0.0151 0.78 1.1201 0.9998 2074554 Maybridge2_000026 COc1cccc(NC(=O)Nc2cc(ccc2N3CCCC3)C(F)(F)F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 B05 compound treatment 0.263 0.0114 0.56 0.26 0.0121 0.62 0.8368 0.9988 1077004 Maybridge2_000027 Cc1ccc(cc1)C(=O)CN(Cc2ccccc2)Cc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 B06 compound treatment 0.258 0.00642 0.32 0.255 0.00706 0.36 0.4807 0.9976 2074555 Maybridge2_000028 OC(=O)CSCC(=O)Nc1cc(ccc1N2CCCC2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 B07 compound treatment 0.26 0.00842 0.41 0.26 0.0121 0.62 0.7323 0.9807 2074556 Maybridge2_000029 CN(C1CCCCC1)C(=O)c2ccc3OCOc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 B08 compound treatment 0.271 0.0194 0.96 0.268 0.0201 1.03 1.4066 0.9993 2074557 Maybridge2_000030 OC(=O)CCC(=O)N1CCN(CC1)C2c3ccccc3-c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 B09 compound treatment 0.301 0.0494 2.43 0.295 0.0471 2.42 3.4343 1.0 1442259 Maybridge2_000031 CN1CCc2c(C(=O)c3ccc(Cl)cc3)c(N)sc2C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 B10 compound treatment 0.281 0.0294 1.45 0.285 0.0371 1.91 2.3738 0.9908 2074558 Maybridge2_000032 FC(F)(F)Oc1ccc(cc1)C2N(CCc3sccc23)S(=O)(=O)c4ccc(C#N)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 B11 compound treatment 0.3 0.0484 2.38 0.285 0.0371 1.91 3.0355 0.9939 2074559 Maybridge2_000033 Fc1ccc(C(=O)Nc2ccc(cc2)N3CCCCC3)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 B12 compound treatment 0.258 0.00642 0.32 0.26 0.0121 0.62 0.6627 0.951 2074560 Maybridge2_000034 CCOC(=O)N1CCC(CC1)NC(=O)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 B13 compound treatment 0.278 0.0264 1.3 0.269 0.0211 1.08 1.6868 0.9959 1269114 Maybridge2_000035 Cc1ccc(cc1Cl)S(=O)(=O)Nc2ccc(cc2)N3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 B14 compound treatment 0.259 0.00742 0.37 0.256 0.00806 0.42 0.5519 0.998 1590511 Maybridge2_000036 O=C(N1CCCCCC1)c2ccc(cc2)C(=O)N3CCCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 B15 compound treatment 0.262 0.0104 0.51 0.26 0.0121 0.62 0.802 0.9955 2074561 Maybridge2_000037 Clc1cc(Cl)cc(Oc2ccc(o2)C(=O)N3CCCCC3)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 B16 compound treatment 0.275 0.0234 1.15 0.275 0.0271 1.39 1.8008 0.9956 2074562 Maybridge2_000038 CC(C)(C)c1ccc(NC(=O)N2CCCN(CC2)c3ccc(cn3)C(F)(F)F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 B17 compound treatment 0.264 0.0124 0.61 0.264 0.0161 0.83 1.0172 0.989 2074563 Maybridge2_000039 FC(F)(F)Oc1ccc(cc1)C2N(Cc3ccc4OCCc4c3)CCc5sccc25 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 B18 compound treatment 0.254 0.00242 0.12 0.25 0.00206 0.11 0.1593 0.9983 2074564 Maybridge2_000040 Fc1ccc(CN2CC(CC2=O)C(=O)Nc3ccc(Cl)cc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 B19 compound treatment 0.258 0.00642 0.32 0.259 0.0111 0.57 0.6263 0.9614 2074565 Maybridge2_000041 CN(C1CCCCC1)C(=O)Nc2c(C)onc2c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 B20 compound treatment 0.257 0.00542 0.27 0.258 0.0101 0.52 0.555 0.9525 2074566 Maybridge2_000042 O=C(NCc1ccc(C#N)cc1)N2CCOCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 B21 compound treatment 0.26 0.00842 0.41 0.259 0.0111 0.57 0.6959 0.9879 2074567 Maybridge2_000043 Clc1cc(Cl)cc(NC(=O)N2CCN(CC2)C3c4ccccc4-c5ccccc35)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 B22 compound treatment 0.259 0.00742 0.37 0.254 0.00606 0.31 0.4791 0.9969 2074568 Maybridge2_000044 CN(C)c1ccc(NC(=O)Nc2cccs2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 B23 mock treatment 0.263 0.0114 0.56 0.257 0.00906 0.47 0.7276 0.9957 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 B24 mock treatment 0.245 -0.00658 -0.32 0.239 -0.00894 -0.46 -0.5545 -0.9853 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 C01 compound treatment 0.241 -0.0106 -0.52 0.242 -0.00594 -0.31 -0.5846 -0.9677 1180495 Maybridge2_000045 CN(C)CCNS(=O)(=O)c1ccc(s1)c2csc(C)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 C02 compound treatment 0.238 -0.0136 -0.67 0.238 -0.00994 -0.51 -0.8347 -0.9912 2074569 Maybridge2_000046 CCN(CC)C(=O)Oc1ccc(Br)cc1C(=O)Nc2ccc(F)c(Cl)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 C03 compound treatment 0.241 -0.0106 -0.52 0.24 -0.00794 -0.41 -0.6574 -0.9928 1724527 Maybridge2_000047 Clc1ccc(cc1)C2N(Cc3ccccc3)CCC4CCCCN24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 C04 compound treatment 0.252 4.19E-4 0.02 0.248 6.25E-5 0.0 0.0169 0.8075 2074570 Maybridge2_000048 Fc1cccc(Cl)c1CN(Cc2c(F)cccc2Cl)OC(=O)C3CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 C05 compound treatment 0.287 0.0354 1.74 0.281 0.0331 1.7 2.4371 0.9999 1401898 Maybridge2_000049 CN(C)CC(O)Cn1c2ccc(Cl)cc2c3cc(Cl)ccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 C06 compound treatment 0.244 -0.00758 -0.37 0.243 -0.00494 -0.25 -0.4437 -0.9824 2074571 Maybridge2_000050 Brc1cc(Br)cc(CN2CCSCC2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 C07 compound treatment 0.242 -0.00958 -0.47 0.238 -0.00994 -0.51 -0.6954 -0.9992 1413543 Maybridge2_000051 CN1C2CCC1CC(C2)NC(=O)Nc3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 C08 compound treatment 0.26 0.00842 0.41 0.253 0.00506 0.26 0.4775 0.975 2074572 Maybridge2_000052 CSCc1c(C)nn(C(=O)N(C)C)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 C09 compound treatment 0.25 -0.00158 -0.08 0.245 -0.00294 -0.15 -0.162 -0.9523 1241925 Maybridge2_000053 CN1C2CCC1CC(C2)NC(=O)CSCc3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 C10 compound treatment 0.261 0.00942 0.46 0.259 0.0111 0.57 0.7307 0.9948 2074573 Maybridge2_000054 Clc1ccc(c(Cl)c1)S(=O)(=O)N2CCCC2c3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 C11 compound treatment 0.242 -0.00958 -0.47 0.243 -0.00494 -0.25 -0.5134 -0.9579 2074574 Maybridge2_000055 COc1cccc(c1)c2c(OC)cccc2C3CCCCN(C)C3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 C12 compound treatment 0.29 0.0384 1.89 0.291 0.0431 2.22 2.9056 0.9969 1129748 Maybridge2_000056 CC(C)(C)c1csc(n1)c2ccc(cc2)S(=O)(=O)N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 C13 compound treatment 0.302 0.0504 2.48 0.312 0.0641 3.3 4.088 0.9902 2074575 Maybridge2_000057 CCN(C(Cc1ccccc1)c2ccc(OC)cc2)C(=O)c3c(C)onc3c4c(Cl)cccc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 C14 compound treatment 0.267 0.0154 0.76 0.267 0.0191 0.98 1.2309 0.992 2074576 Maybridge2_000058 CCn1cc(C(=O)Nc2ccc(cc2)C(F)(F)F)c(=O)c3cc(Cl)ccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 C15 compound treatment 0.24 -0.0116 -0.57 0.244 -0.00394 -0.2 -0.5467 -0.9031 2074577 Maybridge2_000059 Fc1cccc(F)c1C(=O)N2CCCCC2Cn3cccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 C16 compound treatment 0.246 -0.00558 -0.27 0.249 0.00106 0.05 -0.1557 -0.5555 1396629 Maybridge2_000060 CN1N=C2C(C1c3ccc(Cl)c(Cl)c3)N4CCC2CC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 C17 compound treatment 0.249 -0.00258 -0.13 0.253 0.00506 0.26 0.0944 0.3256 2074578 Maybridge2_000061 Cc1cc(C)c(NC(=O)N(CC=C)CC=C)c2CC(C)(C)C(=O)c21 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 C18 compound treatment 0.252 4.19E-4 0.02 0.253 0.00506 0.26 0.1989 0.7608 2074579 Maybridge2_000062 COC(=O)c1cn(Cc2ccc(cc2)C(F)(F)F)cc(F)c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 C19 compound treatment 0.241 -0.0106 -0.52 0.245 -0.00294 -0.15 -0.4754 -0.8762 2074580 Maybridge2_000063 CN(C)c1ccc(CO)c(F)c1C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 C20 compound treatment 0.242 -0.00958 -0.47 0.243 -0.00494 -0.25 -0.5134 -0.9579 1253399 Maybridge2_000064 Fc1ccc(C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)c(F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 C21 compound treatment 0.237 -0.0146 -0.72 0.239 -0.00894 -0.46 -0.8331 -0.9769 2074581 Maybridge2_000065 CS/C(=N\c1cc(cc(c1)C(F)(F)F)C(F)(F)F)/N2CCCCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 C22 compound treatment 0.279 0.0274 1.35 0.281 0.0331 1.7 2.1585 0.9934 1713118 Maybridge2_000066 Fc1cccc(Cl)c1CN2CCN(CC2)C(=O)Nc3cc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 C23 mock treatment 0.244 -0.00758 -0.37 0.242 -0.00594 -0.31 -0.4802 -0.9951 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 C24 mock treatment 0.236 -0.0156 -0.77 0.241 -0.00694 -0.36 -0.7952 -0.9394 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 D01 compound treatment 0.251 -5.81E-4 -0.03 0.242 -0.00594 -0.31 -0.2364 -0.7699 2074582 Maybridge2_000067 O=S(=O)(Oc1ccccc1N2CCCCC2)c3ccc(s3)c4ccccn4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 D02 compound treatment 0.271 0.0194 0.96 0.268 0.0201 1.03 1.4066 0.9993 2074583 Maybridge2_000068 CCCc1c(cnn1c2ccccc2)C(=O)Nc3ccc(cc3)N4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 D03 compound treatment 0.263 0.0114 0.56 0.264 0.0161 0.83 0.9824 0.9824 1547353 Maybridge2_000069 Cc1[nH]c2ccccc2c1CN3CCN(CC3)c4ccccn4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 D04 compound treatment 0.286 0.0344 1.7 0.289 0.0411 2.11 2.6935 0.994 2074584 Maybridge2_000070 CC(C)(C)c1ccc(NC(=O)Nc2cc(ccc2N3CCCC3)C(F)(F)F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 D05 compound treatment 0.255 0.00342 0.17 0.256 0.00806 0.42 0.4126 0.9211 2074585 Maybridge2_000071 FC(F)(F)Oc1ccc(cc1)C2N(Cc3ccccc3)CCc4sccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 D06 compound treatment 0.253 0.00142 0.07 0.252 0.00406 0.21 0.1973 0.8948 2074586 Maybridge2_000072 Fc1ccc(CNC(=O)C2CN(Cc3ccco3)C(=O)C2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 D07 compound treatment 0.263 0.0114 0.56 0.259 0.0111 0.57 0.8004 1.0 2074587 Maybridge2_000073 CCOC(=O)C1CCN(CC(=O)c2ccc(C)cc2)CC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 D08 compound treatment 0.261 0.00942 0.46 0.264 0.0161 0.83 0.9128 0.9627 2074588 Maybridge2_000074 OC(=O)CSCC(=O)N1CCN(CC1)C2c3ccccc3-c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 D09 compound treatment 0.256 0.00442 0.22 0.247 -9.38E-4 -0.05 0.1198 0.5373 2074589 Maybridge2_000075 O=C(CC1NCCNC1=O)NC2Cc3ccccc3C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 D10 compound treatment 0.257 0.00542 0.27 0.254 0.00606 0.31 0.4094 0.997 2074590 Maybridge2_000076 Fc1cccc(c1)S(=O)(=O)N2CCc3sccc3C2c4ccc(OC(F)(F)F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 D11 compound treatment 0.303 0.0514 2.53 0.301 0.0531 2.73 3.7224 0.9993 2074591 Maybridge2_000077 Clc1cccc(NC(=O)Nc2ccc(cc2)N3CCCCC3)c1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 D12 compound treatment 0.251 -5.81E-4 -0.03 0.255 0.00706 0.36 0.2369 0.6495 2074592 Maybridge2_000078 CCOC(=O)N1CCC(CC1)NC(=O)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 D13 compound treatment 0.295 0.0434 2.14 0.281 0.0331 1.7 2.7157 0.9936 1119500 Maybridge2_000079 Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc3ccc(cc3)N4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 D14 compound treatment 0.252 4.19E-4 0.02 0.255 0.00706 0.36 0.2717 0.7461 1006240 Maybridge2_000080 OC(CN1CCCC1)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 D15 compound treatment 0.265 0.0134 0.66 0.269 0.0211 1.08 1.2341 0.9718 2074593 Maybridge2_000081 O=C(NC1CCN(Cc2ccccc2)CC1)c3ccc(s3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 D16 compound treatment 0.251 -5.81E-4 -0.03 0.248 6.25E-5 0.0 -0.0179 -0.6236 2074594 Maybridge2_000082 Cc1ccc(cc1C)C(=O)N2CCCN(CC2)c3ccc(cn3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 D17 compound treatment 0.29 0.0384 1.89 0.294 0.0461 2.37 3.0148 0.9937 2074595 Maybridge2_000083 FC(F)(F)Oc1ccc(cc1)C2N(Cc3nc4ccccc4s3)CCc5sccc25 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 D18 compound treatment 0.256 0.00442 0.22 0.261 0.0131 0.67 0.6294 0.8905 2074596 Maybridge2_000084 COc1ccc(NC(=O)C2CN(Cc3ccc(F)cc3)C(=O)C2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 D19 compound treatment 0.253 0.00142 0.07 0.251 0.00306 0.16 0.1609 0.933 2074597 Maybridge2_000085 CN(Cc1ccccc1)S(=O)(=O)c2cn(C)cn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 D20 compound treatment 0.256 0.00442 0.22 0.257 0.00906 0.47 0.4838 0.9398 2074598 Maybridge2_000086 CN(C)c1ccc(NC(=O)Nc2ccccc2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 D21 compound treatment 0.286 0.0344 1.7 0.294 0.0461 2.37 2.8755 0.9865 2074599 Maybridge2_000087 COc1cccc(NC(=O)N2CCN(CC2)C3c4ccccc4-c5ccccc35)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 D22 compound treatment 0.3 0.0484 2.38 0.323 0.0751 3.86 4.4188 0.9731 2074600 Maybridge2_000088 COc1ccc(Cl)cc1NC(=O)Nc2ccc(cc2)N(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 D23 mock treatment 0.255 0.00342 0.17 0.256 0.00806 0.42 0.4126 0.9211 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 D24 mock treatment 0.251 -5.81E-4 -0.03 0.256 0.00806 0.42 0.2733 0.6568 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 E01 compound treatment 0.254 0.00242 0.12 0.243 -0.00494 -0.25 -0.0955 -0.3401 1137390 Maybridge2_000089 Fc1cccc(Cl)c1CN2CCN(CC2)C(=O)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 E02 compound treatment 0.253 0.00142 0.07 0.253 0.00506 0.26 0.2337 0.8662 2074601 Maybridge2_000090 Fc1ccc(NC(=O)CCN2CCCCC2)cc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 E03 compound treatment 0.266 0.0144 0.71 0.26 0.0121 0.62 0.9413 0.9978 1518121 Maybridge2_000091 O=C(CCN1CCCC1)c2ccc(cc2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 E04 compound treatment 0.259 0.00742 0.37 0.256 0.00806 0.42 0.5519 0.998 2074602 Maybridge2_000092 FC(F)(F)c1cc(Br)ccc1/C=C/c2noc(CN3CCSCC3)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 E05 compound treatment 0.266 0.0144 0.71 0.26 0.0121 0.62 0.9413 0.9978 1636659 Maybridge2_000093 CN1CCN(CC1)c2cc(nc3ccccc23)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 E06 compound treatment 0.279 0.0274 1.35 0.286 0.0381 1.96 2.3405 0.9835 2074603 Maybridge2_000094 CN(C)/C=C(\C#N)/C(=O)Nc1cc(ccc1Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 E07 compound treatment 0.259 0.00742 0.37 0.251 0.00306 0.16 0.3699 0.9294 1223321 Maybridge2_000095 CN1C2CCC1CC(C2)NC(=O)Nc3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 E08 compound treatment 0.271 0.0194 0.96 0.264 0.0161 0.83 1.261 0.9974 2074604 Maybridge2_000096 O=C(/C=C\1/NC(=O)CS1)N2CCOCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 E09 compound treatment 0.257 0.00542 0.27 0.253 0.00506 0.26 0.373 0.9999 1322935 Maybridge2_000097 CN1C2CCC1CC(C2)NC(=O)CS(=O)(=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 E10 compound treatment 0.251 -5.81E-4 -0.03 0.256 0.00806 0.42 0.2733 0.6568 2074605 Maybridge2_000098 CN(C)/C=C/C(=O)c1nnn(c1C)c2ccc(Cl)c(Cl)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 E11 compound treatment 0.256 0.00442 0.22 0.264 0.0161 0.83 0.7386 0.8638 2074606 Maybridge2_000099 C(Oc1cnc(nc1)N2CCNCC2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 E12 compound treatment 0.533 0.281 13.86 0.516 0.268 13.8 19.5591 1.0 2074607 Maybridge2_000100 CN(C)/C=C/C(=O)c1ccc(o1)c2cc(Cl)cc(Cl)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 E13 compound treatment 0.352 0.1 4.95 0.356 0.108 5.56 7.431 0.9983 1608666 Maybridge2_000101 CCN(C(Cc1ccccc1)c2ccc(OC)cc2)C(=O)c3sc4ccccc4c3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 E14 compound treatment 0.289 0.0374 1.84 0.297 0.0491 2.53 3.0892 0.988 2074608 Maybridge2_000102 CN1C/C(=C\c2cccc3ccccc23)/C(=O)\C(=C\c4cccc5ccccc45)\C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 E15 compound treatment 0.26 0.00842 0.41 0.26 0.0121 0.62 0.7323 0.9807 2074609 Maybridge2_000103 CN1CCN(Cc2nc(/C=C/c3cc(cc(c3)C(F)(F)F)C(F)(F)F)no2)CC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 E16 compound treatment 0.256 0.00442 0.22 0.258 0.0101 0.52 0.5202 0.9258 2074610 Maybridge2_000104 CSc1nsc(SC)c1NC(=O)N(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 E17 compound treatment 0.26 0.00842 0.41 0.264 0.0161 0.83 0.8779 0.9491 1127399 Maybridge2_000105 CC1CN(Cc2c(F)cccc2Cl)CC(C)O1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 E18 compound treatment 0.312 0.0604 2.98 0.318 0.0701 3.61 4.6547 0.9954 2074611 Maybridge2_000106 Clc1ccc(Cl)c(NC(=O)CC2NCCCNC2=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 E19 compound treatment 0.25 -0.00158 -0.08 0.247 -9.38E-4 -0.05 -0.0892 -0.9736 2074612 Maybridge2_000107 CN(C)CCCN/C(=N\O)/c1c(Cl)cccc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 E20 compound treatment 0.252 4.19E-4 0.02 0.254 0.00606 0.31 0.2353 0.7523 1451184 Maybridge2_000108 Fc1cccc(Cl)c1C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 E21 compound treatment 0.255 0.00342 0.17 0.255 0.00706 0.36 0.3762 0.9388 1083885 Maybridge2_000109 CN(Cc1ccccc1)C(=O)Nc2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 E22 compound treatment 0.255 0.00342 0.17 0.256 0.00806 0.42 0.4126 0.9211 1267524 Maybridge2_000110 CCN(CC)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 E23 mock treatment 0.252 4.19E-4 0.02 0.25 0.00206 0.11 0.0897 0.8291 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 E24 mock treatment 0.257 0.00542 0.27 0.245 -0.00294 -0.15 0.0818 0.2667 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 F01 compound treatment 0.256 0.00442 0.22 0.249 0.00106 0.05 0.1926 0.8581 2074613 Maybridge2_000111 OC(=O)c1ccccc1C(=O)N2CCN(CC2)c3ccc(F)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 F02 compound treatment 0.277 0.0254 1.25 0.268 0.0201 1.03 1.6156 0.9954 2074614 Maybridge2_000112 Cc1onc(c1C(=O)Nc2ccc(cc2)N3CCCCC3)c4c(Cl)cccc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 F03 compound treatment 0.272 0.0204 1.01 0.271 0.0231 1.19 1.5507 0.9966 1181710 Maybridge2_000113 Cc1[nH]c2ccccc2c1CN3CCN(CC3)c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 F04 compound treatment 0.257 0.00542 0.27 0.263 0.0151 0.78 0.7371 0.8988 2074615 Maybridge2_000114 C(N1CCC2(CC1)Nc3ccccc3S2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 F05 compound treatment 0.251 -5.81E-4 -0.03 0.253 0.00506 0.26 0.1641 0.6258 2074616 Maybridge2_000115 FC(F)(F)Oc1ccc(cc1)C2N(Cc3ccccn3)CCc4sccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 F06 compound treatment 0.266 0.0144 0.71 0.257 0.00906 0.47 0.8321 0.9792 2074617 Maybridge2_000116 CC(C)(CC(=O)NC1CCN(Cc2ccccc2)CC1)Sc3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 F07 compound treatment 0.272 0.0204 1.01 0.27 0.0221 1.14 1.5143 0.9982 2074618 Maybridge2_000117 CCOC(=O)C1CCN(CC(=O)c2ccc(OC)cc2)CC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 F08 compound treatment 0.272 0.0204 1.01 0.264 0.0161 0.83 1.2959 0.9953 1943800 Maybridge2_000118 CN1CCN(CC(=O)N2c3ccccc3Sc4ccccc24)CC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 F09 compound treatment 0.257 0.00542 0.27 0.262 0.0141 0.72 0.7006 0.9081 1147671 Maybridge2_000119 Cc1nnsc1C(=O)N2CCN(CC2)C3c4ccccc4-c5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 F10 compound treatment 0.261 0.00942 0.46 0.257 0.00906 0.47 0.6579 1.0 2074619 Maybridge2_000120 O=C(CN1CCN(CC1)c2ccccc2)N3c4ccccc4Sc5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 F11 compound treatment 0.285 0.0334 1.65 0.275 0.0271 1.39 2.149 0.9966 1636373 Maybridge2_000121 Cc1cc(C)cc(NC(=O)Nc2ccc(cc2)N3CCCCC3)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 F12 compound treatment 0.258 0.00642 0.32 0.262 0.0141 0.72 0.7355 0.931 2074620 Maybridge2_000122 CCOC(=O)N1CCC(CC1)NC(=O)C2CCCCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 F13 compound treatment 0.26 0.00842 0.41 0.253 0.00506 0.26 0.4775 0.975 1861722 Maybridge2_000123 O=C(Nc1ccccc1N2CCCCC2)c3ccco3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 F14 compound treatment 0.257 0.00542 0.27 0.255 0.00706 0.36 0.4458 0.9885 2074621 Maybridge2_000124 CN(CCc1ccccn1)S(=O)(=O)c2ccc3OCCc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 F15 compound treatment 0.276 0.0244 1.2 0.278 0.0301 1.55 1.9448 0.9922 2074622 Maybridge2_000125 Fc1ccc(cc1)C(=O)C2CCN(CC2)C(=O)c3ccc(s3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 F16 compound treatment 0.253 0.00142 0.07 0.257 0.00906 0.47 0.3793 0.8041 2074623 Maybridge2_000126 Fc1ccc(c(F)c1)S(=O)(=O)N2CCCN(CC2)c3ccc(cn3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 F17 compound treatment 0.342 0.0904 4.45 0.352 0.104 5.36 6.9372 0.9958 2074624 Maybridge2_000127 CS(=O)(=O)N1CCN(CC1)C2c3ccccc3-c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 F18 compound treatment 0.26 0.00842 0.41 0.266 0.0181 0.93 0.9507 0.9338 2074625 Maybridge2_000128 Cc1ccc(NC(=O)C2CN(Cc3ccc(F)cc3)C(=O)C2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 F19 compound treatment 0.311 0.0594 2.93 0.296 0.0481 2.47 3.819 0.9965 1430320 Maybridge2_000129 COc1ccc-2c(NC(c3cccn32)c4ccc(cc4)N(C)C)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 F20 compound treatment 0.295 0.0434 2.14 0.3 0.0521 2.68 3.4074 0.9937 2074626 Maybridge2_000130 CN(C)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 F21 compound treatment 0.257 0.00542 0.27 0.259 0.0111 0.57 0.5914 0.9404 2074627 Maybridge2_000131 CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)C3c4ccccc4-c5ccccc35)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 F22 compound treatment 0.291 0.0394 1.94 0.292 0.0441 2.27 2.9768 0.997 2074628 Maybridge2_000132 CN(C)c1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 F23 mock treatment 0.264 0.0124 0.61 0.257 0.00906 0.47 0.7624 0.9911 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 F24 mock treatment 0.256 0.00442 0.22 0.252 0.00406 0.21 0.3018 0.9998 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 G01 compound treatment 0.248 -0.00358 -0.18 0.241 -0.00694 -0.36 -0.3772 -0.9471 1693364 Maybridge2_000133 CC(C)N1CCN(CC1)c2ncnc3scc(c4ccccc4)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 G02 compound treatment 0.252 4.19E-4 0.02 0.252 0.00406 0.21 0.1625 0.7732 2074629 Maybridge2_000134 Fc1ccc(NC(=O)CN2CCCCC2)cc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 G03 compound treatment 0.262 0.0104 0.51 0.266 0.0181 0.93 1.0204 0.9607 1601195 Maybridge2_000135 CC1CC(C)CN(Cc2cc(Cl)c(O)c(Cl)c2)C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 G04 compound treatment 0.251 -5.81E-4 -0.03 0.246 -0.00194 -0.1 -0.0908 -0.8746 2074630 Maybridge2_000136 Cc1cc(cc(C)c1F)S(=O)(=O)N2CCSCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 G05 compound treatment 0.258 0.00642 0.32 0.263 0.0151 0.78 0.7719 0.9217 1636659 Maybridge2_000137 CN1CCN(CC1)c2cc(nc3ccccc23)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 G06 compound treatment 0.256 0.00442 0.22 0.255 0.00706 0.36 0.411 0.9699 2074631 Maybridge2_000138 O=C(N1CCSCC1)C2(CC3CC4CC(C3)C2)C4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 G07 compound treatment 0.254 0.00242 0.12 0.251 0.00306 0.16 0.1957 0.9905 1354633 Maybridge2_000139 CN1C2CCC1CC(C2)NC(=O)Nc3ccc(F)cc3F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 G08 compound treatment 0.265 0.0134 0.66 0.257 0.00906 0.47 0.7973 0.9855 2074632 Maybridge2_000140 CN(C)/C=C/C(=O)c1nnn(c1C)c2cccc(Cl)c2Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 G09 compound treatment 0.253 0.00142 0.07 0.256 0.00806 0.42 0.3429 0.8147 1360057 Maybridge2_000141 CN1C2CCC1CC(C2)NC(=O)CS(=O)(=O)c3ccc(F)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 G10 compound treatment 0.259 0.00742 0.37 0.258 0.0101 0.52 0.6247 0.9854 2074633 Maybridge2_000142 CN(C)/C=C/C(=O)c1nnn(c1C)c2ccc(Cl)cc2Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 G11 compound treatment 0.252 4.19E-4 0.02 0.252 0.00406 0.21 0.1625 0.7732 2074634 Maybridge2_000143 N#CCCCN(Cc1ccccc1)Cc2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 G12 compound treatment 0.279 0.0274 1.35 0.287 0.0391 2.01 2.3769 0.9812 2074635 Maybridge2_000144 CN(C)/C=C/C(=O)c1ccc(C)nc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 G13 compound treatment 0.262 0.0104 0.51 0.256 0.00806 0.42 0.6564 0.9945 2074636 Maybridge2_000145 CN(C)c1ccc(C2=NCCCN2)c(SCc3cccc(c3)C(F)(F)F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 G14 compound treatment 0.566 0.314 15.49 0.568 0.32 16.48 22.6013 0.9995 2074637 Maybridge2_000146 CN1C/C(=C\c2cccs2)/C(=O)\C(=C\c3cccs3)\C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 G15 compound treatment 0.266 0.0144 0.71 0.271 0.0231 1.19 1.3417 0.9698 2074638 Maybridge2_000147 FC(F)(F)c1cc(/C=C/c2noc(CN3CCCCCC3)n2)cc(c1)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 G16 compound treatment 0.252 4.19E-4 0.02 0.257 0.00906 0.47 0.3445 0.7377 2074639 Maybridge2_000148 COc1ccc(cc1)C2N(C)C(=O)c3ccccc3S2(=O)=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 G17 compound treatment 0.307 0.0554 2.73 0.309 0.0611 3.14 4.1529 0.9975 2074640 Maybridge2_000149 CN(C)c1ccc(/C=C/C#N)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 G18 compound treatment 0.262 0.0104 0.51 0.257 0.00906 0.47 0.6928 0.9989 1007333 Maybridge2_000150 CN1CCN(CC(O)c2ccccc2)CC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 G19 compound treatment 0.257 0.00542 0.27 0.252 0.00406 0.21 0.3366 0.9927 2074641 Maybridge2_000151 CN(C)CCCNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 G20 compound treatment 0.251 -5.81E-4 -0.03 0.258 0.0101 0.52 0.3461 0.6671 1686641 Maybridge2_000152 Clc1ccsc1C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 G21 compound treatment 0.253 0.00142 0.07 0.251 0.00306 0.16 0.1609 0.933 2074642 Maybridge2_000153 CC1CN(CCCNC(=O)Nc2ccc(Cl)cc2)CC(C)O1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 G22 compound treatment 0.245 -0.00658 -0.32 0.247 -9.38E-4 -0.05 -0.2633 -0.8035 2074643 Maybridge2_000154 NC(=O)C1CCN(CC1)c2c(Cl)cncc2Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 G23 mock treatment 0.254 0.00242 0.12 0.256 0.00806 0.42 0.3778 0.8748 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 G24 mock treatment 0.257 0.00542 0.27 0.248 6.25E-5 0.0 0.191 0.7156 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 H01 compound treatment 0.248 -0.00358 -0.18 0.247 -9.38E-4 -0.05 -0.1588 -0.8687 2074644 Maybridge2_000155 Fc1ccc(cc1)N2C(=O)CCN(Cc3ccccc3)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 H02 compound treatment 0.265 0.0134 0.66 0.27 0.0221 1.14 1.2705 0.9668 2074645 Maybridge2_000156 Clc1ccc2[nH]c(cc2c1)C(=O)Nc3ccc(cc3)N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 H03 compound treatment 0.254 0.00242 0.12 0.255 0.00706 0.36 0.3414 0.8922 1426576 Maybridge2_000157 CN1CCN(CC1)c2ccc(NC(=O)c3cccs3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 H04 compound treatment 0.25 -0.00158 -0.08 0.254 0.00606 0.31 0.1656 0.5149 2074646 Maybridge2_000158 Cc1cc(C(=O)Nc2cc(ccc2N3CCCC3)C(F)(F)F)n(C)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 H05 compound treatment 0.256 0.00442 0.22 0.255 0.00706 0.36 0.411 0.9699 2074647 Maybridge2_000159 CC(C)N(Cc1ccccc1)S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 H06 compound treatment 0.242 -0.00958 -0.47 0.247 -9.38E-4 -0.05 -0.3678 -0.7754 2074648 Maybridge2_000160 CC(C)(CC(=O)N1CCN(CC1)c2ncccc2C(F)(F)F)Sc3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 H07 compound treatment 0.28 0.0284 1.4 0.28 0.0321 1.65 2.1569 0.9966 1269767 Maybridge2_000161 Cc1cc(C(=O)N2CCN(CC2)C3c4ccccc4-c5ccccc35)c(C)o1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 H08 compound treatment 0.258 0.00642 0.32 0.26 0.0121 0.62 0.6627 0.951 2074649 Maybridge2_000162 CCN(CC)CC(=O)N1c2ccccc2Sc3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 H09 compound treatment 0.257 0.00542 0.27 0.257 0.00906 0.47 0.5186 0.9649 1192023 Maybridge2_000163 O=C(N1CCN(CC1)C2c3ccccc3-c4ccccc24)c5ccno5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 H10 compound treatment 0.255 0.00342 0.17 0.258 0.0101 0.52 0.4854 0.8911 2074650 Maybridge2_000164 O=C(CN1CCOCC1)N2c3ccccc3Sc4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 H11 compound treatment 0.289 0.0374 1.84 0.285 0.0371 1.91 2.6524 0.9998 1322755 Maybridge2_000165 Cc1cccc(Cl)c1NC(=O)Nc2ccc(cc2)N3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 H12 compound treatment 0.255 0.00342 0.17 0.26 0.0121 0.62 0.5582 0.8675 2074651 Maybridge2_000166 CCOC(=O)N1CCC(CC1)NC(=O)c2cc(Cl)sc2Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 H13 compound treatment 0.265 0.0134 0.66 0.255 0.00706 0.36 0.7244 0.9604 2074652 Maybridge2_000167 Clc1cc(C(=O)Nc2ccccc2N3CCCCC3)c(Cl)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 H14 compound treatment 0.248 -0.00358 -0.18 0.25 0.00206 0.11 -0.0496 -0.2411 2074653 Maybridge2_000168 CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)c2sc3ccccc3c2Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 H15 compound treatment 0.257 0.00542 0.27 0.257 0.00906 0.47 0.5186 0.9649 2074654 Maybridge2_000169 FC(F)(F)c1cccnc1N2CCN(CC2)C(=O)c3ccc(s3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 H16 compound treatment 0.246 -0.00558 -0.27 0.249 0.00106 0.05 -0.1557 -0.5555 2074655 Maybridge2_000170 Fc1cccc(c1)S(=O)(=O)N2CCCN(CC2)c3ccc(cn3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 H17 compound treatment 0.253 0.00142 0.07 0.261 0.0131 0.67 0.5249 0.7764 2074656 Maybridge2_000171 CN(CCc1ccccn1)C(=O)Nc2ccc(cc2)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 H18 compound treatment 0.245 -0.00658 -0.32 0.248 6.25E-5 0.0 -0.2269 -0.7001 2074657 Maybridge2_000172 Cc1ccc2cc(NC(=O)C3CN(Cc4ccc(F)cc4)C(=O)C3)ccc2n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 H19 compound treatment 0.275 0.0234 1.15 0.274 0.0261 1.34 1.7644 0.9972 2074658 Maybridge2_000173 O=C(N1CCCCC1c2ccccn2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 H20 compound treatment 0.282 0.0304 1.5 0.279 0.0311 1.6 2.1902 0.9995 2074659 Maybridge2_000174 CN(C)c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 H21 compound treatment 0.306 0.0544 2.68 0.305 0.0571 2.94 3.9725 0.999 2074660 Maybridge2_000175 Fc1ccc(NC(=O)N2CCN(CC2)C3c4ccccc4-c5ccccc35)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 H22 compound treatment 0.259 0.00742 0.37 0.259 0.0111 0.57 0.6611 0.977 2074661 Maybridge2_000176 CN(C)c1ccc(NC(=O)c2cccs2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 H23 mock treatment 0.258 0.00642 0.32 0.261 0.0131 0.67 0.6991 0.9408 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 H24 mock treatment 0.263 0.0114 0.56 0.252 0.00406 0.21 0.5456 0.9092 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 I01 compound treatment 0.248 -0.00358 -0.18 0.246 -0.00194 -0.1 -0.1952 -0.9636 1192854 Maybridge2_000177 CCOC(=O)c1ccc(cc1)N2CC3CCCCN3C2c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 I02 compound treatment 0.254 0.00242 0.12 0.256 0.00806 0.42 0.3778 0.8748 2074662 Maybridge2_000178 CN(C)/C=N/C(=O)c1c(C)onc1c2c(Cl)cccc2Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 I03 compound treatment 0.268 0.0164 0.81 0.267 0.0191 0.98 1.2658 0.9954 1358017 Maybridge2_000179 CC1CCN(Cc2cc(Cl)c(O)c(Cl)c2)CC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 I04 compound treatment 0.255 0.00342 0.17 0.255 0.00706 0.36 0.3762 0.9388 2074663 Maybridge2_000180 Fc1ccc(cc1)C2CCCN2S(=O)(=O)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 I05 compound treatment 0.255 0.00342 0.17 0.253 0.00506 0.26 0.3034 0.9777 1597589 Maybridge2_000181 CN1C2CCC1CC(C2)NS(=O)(=O)c3cc(Cl)c(Cl)cc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 I06 compound treatment 0.271 0.0194 0.96 0.278 0.0301 1.55 1.7707 0.9732 2074664 Maybridge2_000182 CN(C)c1ccc(/C=N/O)c(N(C)C)c1C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 I07 compound treatment 0.254 0.00242 0.12 0.255 0.00706 0.36 0.3414 0.8922 1410644 Maybridge2_000183 CN1C2CCC1CC(C2)NC(=O)CSc3ccc(F)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 I08 compound treatment 0.263 0.0114 0.56 0.262 0.0141 0.72 0.9096 0.9922 2074665 Maybridge2_000184 CN(C)/C=C/C(=O)c1nnn(c1C)c2ccc(F)c(Cl)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 I09 compound treatment 0.256 0.00442 0.22 0.254 0.00606 0.31 0.3746 0.9845 1455937 Maybridge2_000185 CN1C2CCC1CC(C2)NC(=O)CS(=O)(=O)c3ccc(F)cc3F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 I10 compound treatment 0.258 0.00642 0.32 0.258 0.0101 0.52 0.5899 0.9719 2074666 Maybridge2_000186 CN(C)/C=C/C(=O)c1nnn(c1C)c2cc(Cl)ccc2Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 I11 compound treatment 0.248 -0.00358 -0.18 0.255 0.00706 0.36 0.1324 0.3276 2074667 Maybridge2_000187 CCCCNC1N=C(c2ccccc2)c3ccccc3N(C)C1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 I12 compound treatment 0.259 0.00742 0.37 0.268 0.0201 1.03 0.9887 0.9025 2074668 Maybridge2_000188 CN(C)c1cc(oc(=O)c1Cl)c2ccc(Cl)c(Cl)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 I13 compound treatment 0.263 0.0114 0.56 0.278 0.0301 1.55 1.4921 0.9061 2074669 Maybridge2_000189 Cc1ccc(cc1)S(=O)(=O)N2CCCC(C2)n3cccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 I14 compound treatment 0.258 0.00642 0.32 0.257 0.00906 0.47 0.5535 0.982 2074670 Maybridge2_000190 CC1CNC(N1)SCc2ccc(C)c(C)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 I15 compound treatment 0.249 -0.00258 -0.13 0.256 0.00806 0.42 0.2036 0.4691 1725187 Maybridge2_000191 COC(=O)c1ccc(CN2CCOCC2)o1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 I16 compound treatment 0.254 0.00242 0.12 0.255 0.00706 0.36 0.3414 0.8922 2074671 Maybridge2_000192 COc1cc2CCN(Cc3ccc(F)cc3)C(=O)c2cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 I17 compound treatment 0.266 0.0144 0.71 0.261 0.0131 0.67 0.9777 0.9996 2074672 Maybridge2_000193 CN(C)CCCNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 I18 compound treatment 0.262 0.0104 0.51 0.257 0.00906 0.47 0.6928 0.9989 2074673 Maybridge2_000194 CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccccc2)CC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 I19 compound treatment 0.252 4.19E-4 0.02 0.255 0.00706 0.36 0.2717 0.7461 2074674 Maybridge2_000195 CCN(CC)CCNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 I20 compound treatment 0.255 0.00342 0.17 0.256 0.00806 0.42 0.4126 0.9211 1562614 Maybridge2_000196 Brc1ccsc1C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 I21 compound treatment 0.257 0.00542 0.27 0.25 0.00206 0.11 0.2638 0.9184 2074675 Maybridge2_000197 CN(C)CCCNC(=O)c1cc(Br)ccc1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 I22 compound treatment 0.257 0.00542 0.27 0.259 0.0111 0.57 0.5914 0.9404 1311571 Maybridge2_000198 CC1(C)CCc2cc(CN3CCN(CC3)c4ccccn4)ccc2O1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 I23 mock treatment 0.259 0.00742 0.37 0.256 0.00806 0.42 0.5519 0.998 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 I24 mock treatment 0.253 0.00142 0.07 0.256 0.00806 0.42 0.3429 0.8147 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 J01 compound treatment 0.249 -0.00258 -0.13 0.248 6.25E-5 0.0 -0.0876 -0.689 2074676 Maybridge2_000199 Cc1cc(C)cc(c1)N2C(=O)CCN(Cc3ccccc3)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 J02 compound treatment 0.256 0.00442 0.22 0.261 0.0131 0.67 0.6294 0.8905 2074677 Maybridge2_000200 Clc1ccc2[nH]c(cc2c1)C(=O)NC3CCN(Cc4ccccc4)CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 J03 compound treatment 0.252 4.19E-4 0.02 0.252 0.00406 0.21 0.1625 0.7732 2074678 Maybridge2_000201 O=C(CN1CCOCC1)Nc2ccccc2Oc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 J04 compound treatment 0.281 0.0294 1.45 0.276 0.0281 1.44 2.0461 1.0 2074679 Maybridge2_000202 Cc1c(csc1C(=O)Nc2cc(ccc2N3CCCC3)C(F)(F)F)S(=O)(=O)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 J05 compound treatment 0.253 0.00142 0.07 0.247 -9.38E-4 -0.05 0.0153 0.1802 2074680 Maybridge2_000203 CC(C)N(Cc1ccccc1)C(=O)c2ccc(OC(F)(F)F)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 J06 compound treatment 0.247 -0.00458 -0.23 0.254 0.00606 0.31 0.0612 0.1588 2074681 Maybridge2_000204 CC(C)(CC(=O)N1CCN(CC1)c2ccccc2)Sc3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 J07 compound treatment 0.252 4.19E-4 0.02 0.251 0.00306 0.16 0.1261 0.793 2074682 Maybridge2_000205 CC1=NCCN1CCNC(=O)Nc2ccc(F)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 J08 compound treatment 0.315 0.0634 3.12 0.301 0.0531 2.73 4.1403 0.9978 2074683 Maybridge2_000206 CN(C)c1ccc(Nc2nc(c(s2)C(=O)c3ccc(F)cc3)c4ccccc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 J09 compound treatment 0.302 0.0504 2.48 0.292 0.0441 2.27 3.3599 0.999 1280598 Maybridge2_000207 Cc1cc(no1)C(=O)N2CCN(CC2)C3c4ccccc4-c5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 J10 compound treatment 0.255 0.00342 0.17 0.252 0.00406 0.21 0.267 0.9942 2074684 Maybridge2_000208 O=C(CN1CCCCC1)N2c3ccccc3Sc4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 J11 compound treatment 0.293 0.0414 2.04 0.284 0.0361 1.86 2.7553 0.9989 2074685 Maybridge2_000209 FC(F)(F)Oc1ccccc1NC(=O)Nc2ccc(cc2)N3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 J12 compound treatment 0.247 -0.00458 -0.23 0.25 0.00206 0.11 -0.0844 -0.3387 2074686 Maybridge2_000210 CCOC(=O)N1CCC(CC1)NC(=O)c2ccc(C)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 J13 compound treatment 0.253 0.00142 0.07 0.253 0.00506 0.26 0.2337 0.8662 2074687 Maybridge2_000211 CCCc1c(cnn1c2ccccc2)C(=O)Nc3ccccc3N4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 J14 compound treatment 0.247 -0.00458 -0.23 0.254 0.00606 0.31 0.0612 0.1588 2074688 Maybridge2_000212 O=C(NC1CCN(Cc2ccccc2)CC1)c3ccsc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 J15 compound treatment 0.252 4.19E-4 0.02 0.255 0.00706 0.36 0.2717 0.7461 2074689 Maybridge2_000213 CN1CCN(CC1)C(=O)c2ccc(s2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 J16 compound treatment 0.243 -0.00858 -0.42 0.248 6.25E-5 0.0 -0.2966 -0.7017 2074690 Maybridge2_000214 FC(F)(F)c1ccc(nc1)N2CCCN(CC2)S(=O)(=O)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 J17 compound treatment 0.261 0.00942 0.46 0.259 0.0111 0.57 0.7307 0.9948 1181324 Maybridge2_000215 O=C(Nc1ccccc1)N2CCN(CC2)C3c4ccccc4-c5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 J18 compound treatment 0.249 -0.00258 -0.13 0.249 0.00106 0.05 -0.0512 -0.37 2074691 Maybridge2_000216 Clc1ccc(CCN2CC(CC2=O)C(=O)Nc3ccc(Cl)cc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 J19 compound treatment 0.258 0.00642 0.32 0.258 0.0101 0.52 0.5899 0.9719 2074692 Maybridge2_000217 OC(=O)c1ccccc1C(=O)N2CCN(CC2)C3c4ccccc4-c5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 J20 compound treatment 0.279 0.0274 1.35 0.272 0.0241 1.24 1.8309 0.9991 2074693 Maybridge2_000218 CN(C)c1ccc(NC(=O)Nc2ccc(cc2)C(C)(C)C)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 J21 compound treatment 0.301 0.0494 2.43 0.299 0.0511 2.63 3.5799 0.9993 2074694 Maybridge2_000219 Cc1ccc(F)cc1NC(=O)N2CCN(CC2)C3c4ccccc4-c5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 J22 compound treatment 0.252 4.19E-4 0.02 0.249 0.00106 0.05 0.0533 0.9113 1248737 Maybridge2_000220 CN(C)c1ccc(NC(=O)c2ccccc2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 J23 mock treatment 0.255 0.00342 0.17 0.254 0.00606 0.31 0.3398 0.9581 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 J24 mock treatment 0.258 0.00642 0.32 0.238 -0.00994 -0.51 -0.1382 -0.2298 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 K01 compound treatment 0.257 0.00542 0.27 0.249 0.00106 0.05 0.2274 0.8347 1325314 Maybridge2_000221 CN1CCc2ccccc2C1Cc3ccccc3NC(=O)c4c(C)onc4c5ccccc5Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 K02 compound treatment 0.257 0.00542 0.27 0.256 0.00806 0.42 0.4822 0.9772 2074695 Maybridge2_000222 COc1ccc(cc1)C(=O)/C(=C/N(C)C)/C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 K03 compound treatment 0.295 0.0434 2.14 0.286 0.0381 1.96 2.8977 0.999 2074696 Maybridge2_000223 CN(C)/C=C/1\N=C(OC1=O)c2cccnc2Sc3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 K04 compound treatment 0.253 0.00142 0.07 0.253 0.00506 0.26 0.2337 0.8662 2074697 Maybridge2_000224 Cc1cc(cc(C)c1F)S(=O)(=O)N2CCCC2c3ccc(F)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 K05 compound treatment 0.253 0.00142 0.07 0.258 0.0101 0.52 0.4157 0.7953 1422067 Maybridge2_000225 CN1C2CCC1CC(C2)NS(=O)(=O)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 K06 compound treatment 0.255 0.00342 0.17 0.26 0.0121 0.62 0.5582 0.8675 2074698 Maybridge2_000226 CN(C)/C=N/C(=C(/C#N)\C(=O)C)/SCc1c(Cl)cccc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 K07 compound treatment 0.251 -5.81E-4 -0.03 0.253 0.00506 0.26 0.1641 0.6258 1644872 Maybridge2_000227 CN1C2CCC1CC(C2)NC(=O)CSc3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 K08 compound treatment 0.261 0.00942 0.46 0.263 0.0151 0.78 0.8764 0.9698 2074699 Maybridge2_000228 CN(C)C(=O)N1CCC(CC1)C(=O)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 K09 compound treatment 0.251 -5.81E-4 -0.03 0.254 0.00606 0.31 0.2005 0.6396 2074700 Maybridge2_000229 CN1C2CCC1CC(C2)/N=C\c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 K10 compound treatment 0.322 0.0704 3.47 0.308 0.0601 3.09 4.6389 0.9984 2074701 Maybridge2_000230 Cc1c(C)c(C)c(C(=O)C2CCN(CC2)C(=O)Nc3ccc(Cl)cc3Cl)c(C)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 K11 compound treatment 0.251 -5.81E-4 -0.03 0.258 0.0101 0.52 0.3461 0.6671 2074702 Maybridge2_000231 C[C@@H](N1[C@H]2CCC(=O)C[C@@H]2CCC1=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 K12 compound treatment 0.263 0.0114 0.56 0.271 0.0231 1.19 1.2372 0.9418 2074703 Maybridge2_000232 CN(C)/C=C/C(=N)SCc1c(Cl)cccc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 K13 compound treatment 0.24 -0.0116 -0.57 0.246 -0.00194 -0.1 -0.4738 -0.8183 2074704 Maybridge2_000233 COc1cccc(OC)c1C(=O)Nc2c3c(cc(N4CCCC4)c2C)C(C)(C)CC3(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 K14 compound treatment 0.255 0.00342 0.17 0.251 0.00306 0.16 0.2306 0.9995 2074705 Maybridge2_000234 CN1CNC(=NC1)SCc2cccc(C#N)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 K15 compound treatment 0.255 0.00342 0.17 0.255 0.00706 0.36 0.3762 0.9388 2074706 Maybridge2_000235 Fc1cccc(Cl)c1NC(=O)N2CCOCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 K16 compound treatment 0.257 0.00542 0.27 0.261 0.0131 0.67 0.6642 0.9181 2074707 Maybridge2_000236 COc1cc2CCN(Cc3c(Cl)cccc3Cl)C(=O)c2cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 K17 compound treatment 0.257 0.00542 0.27 0.262 0.0141 0.72 0.7006 0.9081 2074708 Maybridge2_000237 Clc1c(C#N)ccc(N2CCCC2)c1C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 K18 compound treatment 0.256 0.00442 0.22 0.259 0.0111 0.57 0.5566 0.913 2074709 Maybridge2_000238 Cc1cn(CCC(=O)Nc2ccc(cc2)N3CCOCC3)c4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 K19 compound treatment 0.243 -0.00858 -0.42 0.248 6.25E-5 0.0 -0.2966 -0.7017 2074710 Maybridge2_000239 FC(F)(F)c1cc(/C=C\c2noc(n2)c3ccc(CN4CCCC4)cc3)cc(c1)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 K20 compound treatment 0.252 4.19E-4 0.02 0.251 0.00306 0.16 0.1261 0.793 1138919 Maybridge2_000240 COc1ccc2[nH]c(cc2c1)C(=O)N(C)C3CCN(C)CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 K21 compound treatment 0.253 0.00142 0.07 0.251 0.00306 0.16 0.1609 0.933 1707521 Maybridge2_000241 CCN1CCCC1CNC(=O)c2c(C)onc2c3c(Cl)cccc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 K22 compound treatment 0.25 -0.00158 -0.08 0.252 0.00406 0.21 0.0928 0.416 1663898 Maybridge2_000242 CC1(C)CCc2cc(CN3CCN(CC3)c4ccc(F)cc4)ccc2O1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 K23 mock treatment 0.257 0.00542 0.27 0.254 0.00606 0.31 0.4094 0.997 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 K24 mock treatment 0.258 0.00642 0.32 0.259 0.0111 0.57 0.6263 0.9614 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 L01 compound treatment 0.247 -0.00458 -0.23 0.252 0.00406 0.21 -0.0116 -0.0379 2074711 Maybridge2_000243 O=C(Nc1ccc2OCCc2c1)N(CCC#N)Cc3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 L02 compound treatment 0.271 0.0194 0.96 0.27 0.0221 1.14 1.4794 0.9963 2074712 Maybridge2_000244 Fc1ccc(cc1)N2CCN(CC2)C(=O)c3cc4cc(Cl)ccc4[nH]3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 L03 compound treatment 0.255 0.00342 0.17 0.26 0.0121 0.62 0.5582 0.8675 1539911 Maybridge2_000245 CN(C1CCN(C)CC1)C(=O)c2cnn(c2C)c3ccc(F)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 L04 compound treatment 0.278 0.0264 1.3 0.282 0.0341 1.75 2.1601 0.9892 2074713 Maybridge2_000246 FC(F)(F)c1ccc(N2CCCC2)c(NC(=O)Nc3cccc4ccccc34)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 L05 compound treatment 0.257 0.00542 0.27 0.265 0.0171 0.88 0.8099 0.8821 2074714 Maybridge2_000247 CC(C)N(Cc1ccccc1)C(=O)c2ccccc2C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 L06 compound treatment 0.258 0.00642 0.32 0.26 0.0121 0.62 0.6627 0.951 2074715 Maybridge2_000248 O=C(NC1CCN(Cc2ccccc2)CC1)c3ccc4OCCCOc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 L07 compound treatment 0.337 0.0854 4.21 0.308 0.0601 3.09 5.1613 0.9885 1303662 Maybridge2_000249 COc1ccc(cc1)C(=O)c2c(N)sc3CN(Cc4ccccc4)CCc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 L08 compound treatment 0.263 0.0114 0.56 0.258 0.0101 0.52 0.764 0.9992 2074716 Maybridge2_000250 OC(CNCC1COc2ccccc2O1)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 L09 compound treatment 0.28 0.0284 1.4 0.281 0.0331 1.7 2.1933 0.9953 1610217 Maybridge2_000251 Clc1ccc(C(=O)Nc2ccc(cc2)N3CCCCC3)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 L10 compound treatment 0.252 4.19E-4 0.02 0.256 0.00806 0.42 0.3081 0.7414 2074717 Maybridge2_000252 FC(F)(F)c1ccc(cc1)C(=O)NCCCN2CCN(Cc3ccccc3)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 L11 compound treatment 0.279 0.0274 1.35 0.274 0.0261 1.34 1.9037 1.0 2074718 Maybridge2_000253 CCc1cccc(C)c1NC(=O)Nc2ccc(cc2)N3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 L12 compound treatment 0.277 0.0254 1.25 0.265 0.0171 0.88 1.5064 0.985 2074719 Maybridge2_000254 CCOC(=O)N1CCC(CC1)NC(=O)c2sc3ccccc3c2Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 L13 compound treatment 0.249 -0.00258 -0.13 0.259 0.0111 0.57 0.3128 0.5361 2074720 Maybridge2_000255 O=C(Nc1ccccc1N2CCCCC2)C3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 L14 compound treatment 0.269 0.0174 0.86 0.269 0.0211 1.08 1.3734 0.9933 2074721 Maybridge2_000256 CCOC(=O)N1CCC(CC1)NC(=O)c2cc(C)cc(C)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 L15 compound treatment 0.25 -0.00158 -0.08 0.247 -9.38E-4 -0.05 -0.0892 -0.9736 2074722 Maybridge2_000257 FC(F)(F)Oc1ccc(cc1)C2N(Cc3ccc[nH]3)CCc4sccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 L16 compound treatment 0.266 0.0144 0.71 0.261 0.0131 0.67 0.9777 0.9996 2074723 Maybridge2_000258 FC(F)(F)c1ccc(cc1)S(=O)(=O)N2CCCN(CC2)c3ccc(cn3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 L17 compound treatment 0.263 0.0114 0.56 0.262 0.0141 0.72 0.9096 0.9922 2074724 Maybridge2_000259 CC(C)N(Cc1ccccc1)C(=O)c2c(C)onc2c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 L18 compound treatment 0.259 0.00742 0.37 0.257 0.00906 0.47 0.5883 0.9927 2074725 Maybridge2_000260 COc1ccc(NC(=O)C2CN(CCc3ccc(Cl)cc3)C(=O)C2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 L19 compound treatment 0.279 0.0274 1.35 0.272 0.0241 1.24 1.8309 0.9991 2074726 Maybridge2_000261 Clc1cccc(NC(=O)N2CCN(CC2)C3c4ccccc4-c5ccccc35)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 L20 compound treatment 0.266 0.0144 0.71 0.262 0.0141 0.72 1.0141 1.0 1880074 Maybridge2_000262 CN(C)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 L21 compound treatment 0.256 0.00442 0.22 0.257 0.00906 0.47 0.4838 0.9398 1658667 Maybridge2_000263 O=C(N1CCN(CC1)C(=O)c2ccccc2)c3ccco3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 L22 compound treatment 0.268 0.0164 0.81 0.264 0.0161 0.83 1.1566 0.9999 2074727 Maybridge2_000264 CN(C)c1ccc(NC(=O)c2snnc2C)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 L23 mock treatment 0.26 0.00842 0.41 0.257 0.00906 0.47 0.6231 0.9983 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 L24 mock treatment 0.259 0.00742 0.37 0.249 0.00106 0.05 0.2971 0.804 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 M01 compound treatment 0.247 -0.00458 -0.23 0.243 -0.00494 -0.25 -0.3393 -0.9982 2074728 Maybridge2_000265 C/C=C(\C)/C(=O)Nc1ccccc1CC2N(C)CCc3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 M02 compound treatment 0.261 0.00942 0.46 0.264 0.0161 0.83 0.9128 0.9627 2074729 Maybridge2_000266 Fc1cccc(Cl)c1CN(Cc2c(F)cccc2Cl)OC(=O)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 M03 compound treatment 0.272 0.0204 1.01 0.267 0.0191 0.98 1.4051 0.9999 2074730 Maybridge2_000267 CN(C)/C=C/1\N=C(OC1=O)c2cccnc2Sc3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 M04 compound treatment 0.253 0.00142 0.07 0.253 0.00506 0.26 0.2337 0.8662 2074731 Maybridge2_000268 Fc1ccc(cc1)C2CCCN2C(=O)c3ccc(Cl)cc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 M05 compound treatment 0.255 0.00342 0.17 0.259 0.0111 0.57 0.5218 0.8786 1449556 Maybridge2_000269 CN1C2CCC1CC(C2)NS(=O)(=O)c3ccc(C#N)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 M06 compound treatment 0.255 0.00342 0.17 0.265 0.0171 0.88 0.7402 0.8276 2074732 Maybridge2_000270 CN(C)C(=O)n1cc(C#N)c(n1)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 M07 compound treatment 0.251 -5.81E-4 -0.03 0.253 0.00506 0.26 0.1641 0.6258 1452846 Maybridge2_000271 CN1C2CCC1CC(C2)NC(=O)CSc3ccc(cc3)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 M08 compound treatment 0.265 0.0134 0.66 0.265 0.0171 0.88 1.0885 0.9902 2074733 Maybridge2_000272 CN(C)C(=O)ONC(=O)Cc1ccccc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 M09 compound treatment 0.252 4.19E-4 0.02 0.254 0.00606 0.31 0.2353 0.7523 1139053 Maybridge2_000273 CN1C2CCC1CC(C2)NCc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 M10 compound treatment 0.255 0.00342 0.17 0.253 0.00506 0.26 0.3034 0.9777 2074734 Maybridge2_000274 CNC(=O)N1CCC(CC1)C(=O)c2c(C)c(C)c(C)c(C)c2C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 M11 compound treatment 0.259 0.00742 0.37 0.256 0.00806 0.42 0.5519 0.998 1631500 Maybridge2_000275 CC1C(OCCN1Cc2c(C)c(C)c(C)c(C)c2C)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 M12 compound treatment 0.264 0.0124 0.61 0.261 0.0131 0.67 0.908 0.9989 2074735 Maybridge2_000276 CN(C)/C=C/C(=N)SCc1c(F)cccc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 M13 compound treatment 0.244 -0.00758 -0.37 0.254 0.00606 0.31 -0.0433 -0.089 2074736 Maybridge2_000277 FC(F)(F)c1cc(C#CCN2CCCC2)cc(c1)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 M14 compound treatment 0.281 0.0294 1.45 0.273 0.0251 1.29 1.9369 0.9983 1466440 Maybridge2_000278 Clc1cccc(c1)C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 M15 compound treatment 0.252 4.19E-4 0.02 0.251 0.00306 0.16 0.1261 0.793 2074737 Maybridge2_000279 Fc1cccc(Cl)c1NC(=O)N2CCCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 M16 compound treatment 0.255 0.00342 0.17 0.255 0.00706 0.36 0.3762 0.9388 2074738 Maybridge2_000280 COc1cc2CCN(Cc3cccc(Cl)c3)C(=O)c2cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 M17 compound treatment 0.254 0.00242 0.12 0.259 0.0111 0.57 0.487 0.8369 2074739 Maybridge2_000281 FC(F)(F)c1cccc(CN(Cc2cccc(c2)C(F)(F)F)OC(=O)c3ccc(Cl)cc3)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 M18 compound treatment 0.258 0.00642 0.32 0.26 0.0121 0.62 0.6627 0.951 1568873 Maybridge2_000282 Fc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)c(F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 M19 compound treatment 0.255 0.00342 0.17 0.253 0.00506 0.26 0.3034 0.9777 2074740 Maybridge2_000283 FC(F)(F)c1cc(/C=C\c2noc(n2)c3ccccc3CN4CCCC4)cc(c1)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 M20 compound treatment 0.249 -0.00258 -0.13 0.252 0.00406 0.21 0.058 0.237 1236024 Maybridge2_000284 CN(C1CCN(C)CC1)C(=O)c2cnn(c2C)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 M21 compound treatment 0.249 -0.00258 -0.13 0.246 -0.00194 -0.1 -0.1604 -0.9928 2074741 Maybridge2_000285 CN(C)C(=O)Oc1ccc(Br)cc1C(=O)Nc2ccc(F)cc2F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 M22 compound treatment 0.289 0.0374 1.84 0.291 0.0431 2.22 2.8708 0.9958 2074742 Maybridge2_000286 O=C(Nc1ccc(OCc2ccccc2)cc1)Oc3ccccc3N4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 M23 mock treatment 0.255 0.00342 0.17 0.254 0.00606 0.31 0.3398 0.9581 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 M24 mock treatment 0.255 0.00342 0.17 0.249 0.00106 0.05 0.1578 0.891 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 N01 compound treatment 0.242 -0.00958 -0.47 0.242 -0.00594 -0.31 -0.5498 -0.9779 2074743 Maybridge2_000287 CC(C)(C)c1ccc(NC(=O)N(CCC#N)CCc2ccccn2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 N02 compound treatment 0.255 0.00342 0.17 0.255 0.00706 0.36 0.3762 0.9388 2074744 Maybridge2_000288 FC(F)(F)c1ccc(N2CCCC2)c(NC(=O)Nc3ccc(OCc4ccccc4)cc3)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 N03 compound treatment 0.253 0.00142 0.07 0.254 0.00606 0.31 0.2701 0.8446 2074745 Maybridge2_000289 CC(C)N(Cc1ccccc1)C(=O)c2ccc3OCOc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 N04 compound treatment 0.254 0.00242 0.12 0.255 0.00706 0.36 0.3414 0.8922 2074746 Maybridge2_000290 OC(=O)CCC(=O)Nc1cc(ccc1N2CCCC2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 N05 compound treatment 0.261 0.00942 0.46 0.269 0.0211 1.08 1.0948 0.9283 2074747 Maybridge2_000291 CC(C)N(Cc1ccccc1)S(=O)(=O)c2ccc(s2)S(=O)(=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 N06 compound treatment 0.252 4.19E-4 0.02 0.255 0.00706 0.36 0.2717 0.7461 2074748 Maybridge2_000292 O=S(=O)(NCc1ccc(cc1)N2CCOCC2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 N07 compound treatment 0.288 0.0364 1.79 0.29 0.0421 2.17 2.7996 0.9956 1121411 Maybridge2_000293 COc1ccc(cc1)C(=O)c2c(N)sc3CN(C)CCc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 N08 compound treatment 0.256 0.00442 0.22 0.26 0.0121 0.62 0.593 0.9012 2074749 Maybridge2_000294 O=S1(=O)CCN(CC2COc3ccccc3O2)CC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 N09 compound treatment 0.261 0.00942 0.46 0.263 0.0151 0.78 0.8764 0.9698 1198415 Maybridge2_000295 Clc1ccc(cc1)C(=O)Nc2ccc(cc2)N3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 N10 compound treatment 0.251 -5.81E-4 -0.03 0.253 0.00506 0.26 0.1641 0.6258 2074750 Maybridge2_000296 FC(F)(F)c1cccnc1N2CCN(Cc3ccc[nH]3)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 N11 compound treatment 0.256 0.00442 0.22 0.254 0.00606 0.31 0.3746 0.9845 1511787 Maybridge2_000297 O=S(=O)(Nc1ccc(cc1)N2CCCCC2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 N12 compound treatment 0.271 0.0194 0.96 0.269 0.0211 1.08 1.443 0.998 2074751 Maybridge2_000298 Cc1ccc(C)n1CC2CCNCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 N13 compound treatment 0.257 0.00542 0.27 0.262 0.0141 0.72 0.7006 0.9081 1861731 Maybridge2_000299 Cc1ccc(cc1)C(=O)Nc2ccccc2N3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 N14 compound treatment 0.247 -0.00458 -0.23 0.246 -0.00194 -0.1 -0.2301 -0.9326 2074752 Maybridge2_000300 Fc1ccc(NC(=O)N2CCCN(CC2)c3ccc(cn3)C(F)(F)F)c(F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 N15 compound treatment 0.284 0.0324 1.6 0.284 0.0361 1.86 2.4418 0.9972 2074753 Maybridge2_000301 FC(F)(F)Oc1ccc(cc1)C2N(Cc3c[nH]c4ccccc34)CCc5sccc25 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 N16 compound treatment 0.255 0.00342 0.17 0.259 0.0111 0.57 0.5218 0.8786 2074754 Maybridge2_000302 Clc1c(sc2ccccc12)C(=O)N3CCN(CC3)C(=O)C4CCCO4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 N17 compound treatment 0.258 0.00642 0.32 0.255 0.00706 0.36 0.4807 0.9976 2074755 Maybridge2_000303 CC(C)N(Cc1ccccc1)C(=O)c2ccc3nsnc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 N18 compound treatment 0.253 0.00142 0.07 0.251 0.00306 0.16 0.1609 0.933 2074756 Maybridge2_000304 Cc1ccc(NC(=O)C2CN(CCc3ccc(Cl)cc3)C(=O)C2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 N19 compound treatment 0.288 0.0364 1.79 0.289 0.0411 2.11 2.7632 0.9967 2074757 Maybridge2_000305 FC(F)(F)c1cccc(NC(=O)N2CCN(CC2)C3c4ccccc4-c5ccccc35)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 N20 compound treatment 0.258 0.00642 0.32 0.259 0.0111 0.57 0.6263 0.9614 2074758 Maybridge2_000306 CN(C)c1ccc(NC(=O)Nc2ccccc2F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 N21 compound treatment 0.271 0.0194 0.96 0.267 0.0191 0.98 1.3702 0.9999 2074759 Maybridge2_000307 C1Cc2c([nH]c3ccccc23)C4(CCNCC4)N1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 N22 compound treatment 0.255 0.00342 0.17 0.258 0.0101 0.52 0.4854 0.8911 2074760 Maybridge2_000308 CN(C)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 N23 mock treatment 0.253 0.00142 0.07 0.257 0.00906 0.47 0.3793 0.8041 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 N24 mock treatment 0.254 0.00242 0.12 0.252 0.00406 0.21 0.2321 0.9644 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 O01 compound treatment 0.244 -0.00758 -0.37 0.211 -0.0369 -1.9 -1.6086 -0.8301 1510389 Maybridge2_000309 CN1CCc2ccccc2C1Cc3ccccc3NS(=O)(=O)c4cc(Cl)c(Cl)cc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 O02 compound treatment 0.253 0.00142 0.07 0.25 0.00206 0.11 0.1245 0.9794 2074761 Maybridge2_000310 Clc1ccc(C(=O)NC(=N)N2CCCC2)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 O03 compound treatment 0.252 4.19E-4 0.02 0.245 -0.00294 -0.15 -0.0923 -0.6049 2074762 Maybridge2_000311 CN1C2CCC1CC(C2)NC(=O)c3cccc(c3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 O04 compound treatment 0.257 0.00542 0.27 0.273 0.0251 1.29 1.1011 0.8357 2074763 Maybridge2_000312 Clc1ccc(Oc2ccccc2S(=O)(=O)N3CCSCC3)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 O05 compound treatment 0.251 -5.81E-4 -0.03 0.253 0.00506 0.26 0.1641 0.6258 2074764 Maybridge2_000313 CN1C2CCC1CC(C2)NS(=O)(=O)c3cccc(c3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 O06 compound treatment 0.261 0.00942 0.46 0.257 0.00906 0.47 0.6579 1.0 2074765 Maybridge2_000314 Clc1cc(c(Cl)s1)S(=O)(=O)N2CCSCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 O07 compound treatment 0.251 -5.81E-4 -0.03 0.251 0.00306 0.16 0.0913 0.5695 1582773 Maybridge2_000315 CN1C2CCC1CC(C2)NC(=O)CSc3ccc(F)cc3F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 O08 compound treatment 0.263 0.0114 0.56 0.255 0.00706 0.36 0.6548 0.9777 2074766 Maybridge2_000316 Clc1cc(NC(=O)N2CCOCC2)c(Cl)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 O09 compound treatment 0.252 4.19E-4 0.02 0.253 0.00506 0.26 0.1989 0.7608 2074767 Maybridge2_000317 CN1C2CCC1CC(C2)/N=C\c3c(F)cccc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 O10 compound treatment 0.257 0.00542 0.27 0.251 0.00306 0.16 0.3002 0.9684 2074768 Maybridge2_000318 NC(=S)c1ccc(cc1)S(=O)(=O)N2CCOCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 O11 compound treatment 0.253 0.00142 0.07 0.255 0.00706 0.36 0.3065 0.8279 1446135 Maybridge2_000319 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2ccc(F)c(F)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 O12 compound treatment 0.271 0.0194 0.96 0.267 0.0191 0.98 1.3702 0.9999 2074769 Maybridge2_000320 CN(C)/C=C/C(=O)c1ccc(cc1)S(=O)(=O)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 O13 compound treatment 0.25 -0.00158 -0.08 0.264 0.0161 0.83 0.5297 0.6377 1328314 Maybridge2_000321 Cc1ccc2oc(=O)cc(CN3CCOCC3)c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 O14 compound treatment 0.258 0.00642 0.32 0.26 0.0121 0.62 0.6627 0.951 2074770 Maybridge2_000322 C1CN2CCC1C3=NNC(C23)c4ccc(cc4)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 O15 compound treatment 0.26 0.00842 0.41 0.252 0.00406 0.21 0.4411 0.9498 2074771 Maybridge2_000323 Cc1onc(c1C(=O)N2CCC=CC2)c3c(Cl)cccc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 O16 compound treatment 0.257 0.00542 0.27 0.261 0.0131 0.67 0.6642 0.9181 2074772 Maybridge2_000324 COc1cc2CCN(Cc3ccc(C)cc3)C(=O)c2cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 O17 compound treatment 0.255 0.00342 0.17 0.258 0.0101 0.52 0.4854 0.8911 2074773 Maybridge2_000325 CN(C)c1ccc(NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 O18 compound treatment 0.256 0.00442 0.22 0.258 0.0101 0.52 0.5202 0.9258 1284206 Maybridge2_000326 Fc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 O19 compound treatment 0.242 -0.00958 -0.47 0.236 -0.0119 -0.61 -0.7682 -0.9915 2074774 Maybridge2_000327 CS/C(=N/c1cc(cc(c1)C(F)(F)F)C(F)(F)F)/N2CCCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 O20 compound treatment 0.25 -0.00158 -0.08 0.256 0.00806 0.42 0.2384 0.5646 2074775 Maybridge2_000328 Brc1ccsc1C(=O)Oc2ccccc2N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 O21 compound treatment 0.245 -0.00658 -0.32 0.246 -0.00194 -0.1 -0.2997 -0.8838 2074776 Maybridge2_000329 CCN(CC)C(=O)Oc1ccc(Br)cc1C(=O)Nc2ccc(F)cc2F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 O22 compound treatment 0.254 0.00242 0.12 0.251 0.00306 0.16 0.1957 0.9905 2074777 Maybridge2_000330 CC(C)(C)c1ccc(NC(=O)Oc2ccccc2N3CCOCC3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 O23 mock treatment 0.25 -0.00158 -0.08 0.254 0.00606 0.31 0.1656 0.5149 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 O24 mock treatment 0.248 -0.00358 -0.18 0.243 -0.00494 -0.25 -0.3044 -0.9841 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 P01 compound treatment 0.248 -0.00358 -0.18 0.241 -0.00694 -0.36 -0.3772 -0.9471 1443960 Maybridge2_000331 Fc1ccc(cc1)N2CCN(Cc3c[nH]c4ccccc34)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 P02 compound treatment 0.229 -0.0226 -1.11 0.239 -0.00894 -0.46 -1.1118 -0.9237 2074778 Maybridge2_000332 FC(F)(F)c1ccc(N2CCCC2)c(NC(=O)Nc3cccs3)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 P03 compound treatment 0.26 0.00842 0.41 0.265 0.0171 0.88 0.9143 0.9413 2074779 Maybridge2_000333 O=C(NC1CCN(Cc2ccccc2)CC1)Nc3csc4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 P04 compound treatment 0.245 -0.00658 -0.32 0.238 -0.00994 -0.51 -0.5909 -0.9757 2074780 Maybridge2_000334 OC(=O)c1ccccc1C(=O)Nc2cc(ccc2N3CCCC3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 P05 compound treatment 0.244 -0.00758 -0.37 0.246 -0.00194 -0.1 -0.3345 -0.8657 2074781 Maybridge2_000335 CC(C)N(Cc1ccccc1)S(=O)(=O)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 P06 compound treatment 0.255 0.00342 0.17 0.253 0.00506 0.26 0.3034 0.9777 2074782 Maybridge2_000336 OC(=O)CCCC(=O)N1CCN(CC1)C2c3ccccc3-c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 P07 compound treatment 0.29 0.0384 1.89 0.293 0.0451 2.32 2.9784 0.9949 1511990 Maybridge2_000337 Nc1sc2CN(Cc3ccccc3)CCc2c1C(=O)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 P08 compound treatment 0.239 -0.0126 -0.62 0.255 0.00706 0.36 -0.1811 -0.252 2074783 Maybridge2_000338 Cc1ccc(cc1)C2Nc3ccccc3C(=O)N2CCCN4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 P09 compound treatment 0.265 0.0134 0.66 0.266 0.0181 0.93 1.1249 0.986 2074784 Maybridge2_000339 FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)Nc2ccc(cc2)N3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 P10 compound treatment 0.254 0.00242 0.12 0.251 0.00306 0.16 0.1957 0.9905 1361938 Maybridge2_000340 CCN(CC)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 P11 compound treatment 0.256 0.00442 0.22 0.254 0.00606 0.31 0.3746 0.9845 1735126 Maybridge2_000341 Fc1ccccc1S(=O)(=O)Nc2ccc(cc2)N3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 P12 compound treatment 0.244 -0.00758 -0.37 0.243 -0.00494 -0.25 -0.4437 -0.9824 1553691 Maybridge2_000342 O=C(N1CCCC1)c2ccc(cc2)C(=O)N3CCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 P13 compound treatment 0.252 4.19E-4 0.02 0.249 0.00106 0.05 0.0533 0.9113 1861719 Maybridge2_000343 Clc1c(sc2ccccc12)C(=O)Nc3ccccc3N4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 P14 compound treatment 0.24 -0.0116 -0.57 0.24 -0.00794 -0.41 -0.6923 -0.9866 2074785 Maybridge2_000344 Fc1ccc(NC(=O)N2CCCN(CC2)c3ccc(cn3)C(F)(F)F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 P15 compound treatment 0.249 -0.00258 -0.13 0.249 0.00106 0.05 -0.0512 -0.37 2074786 Maybridge2_000345 OC(=O)c1cc(ccc1N2CCOCC2)n3cccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 P16 compound treatment 0.248 -0.00358 -0.18 0.258 0.0101 0.52 0.2416 0.4415 2074787 Maybridge2_000346 OC(=O)C1CN(C2Cc3ccccc3C2)C(=O)C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 P17 compound treatment 0.253 0.00142 0.07 0.245 -0.00294 -0.15 -0.0575 -0.3451 2074788 Maybridge2_000347 CN(C1CCCCC1)C(=O)c2cc(C)on2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 P18 compound treatment 0.244 -0.00758 -0.37 0.252 0.00406 0.21 -0.1161 -0.2714 2074789 Maybridge2_000348 Cc1ccc2cc(NC(=O)C3CN(CCc4ccc(Cl)cc4)C(=O)C3)ccc2n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 P19 compound treatment 0.241 -0.0106 -0.52 0.25 0.00206 0.11 -0.2934 -0.5517 2074790 Maybridge2_000349 Cc1ccc(NC(=O)N2CCN(CC2)C3c4ccccc4-c5ccccc35)cc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 P20 compound treatment 0.253 0.00142 0.07 0.253 0.00506 0.26 0.2337 0.8662 2074791 Maybridge2_000350 CN(C)c1ccc(NC(=O)Nc2cc(C)cc(C)c2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 P21 compound treatment 0.242 -0.00958 -0.47 0.245 -0.00294 -0.15 -0.4406 -0.8892 2074792 Maybridge2_000351 Clc1cccc(c1)S(=O)(=O)Nc2ccc(cc2)N3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 P22 compound treatment 0.245 -0.00658 -0.32 0.242 -0.00594 -0.31 -0.4453 -0.9996 1219896 Maybridge2_000352 Cc1ccc(CN2CCS(=O)(=O)CC2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 P23 mock treatment 0.222 -0.0296 -1.46 0.239 -0.00894 -0.46 -1.3556 -0.8872 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1303 P24 mock treatment 0.22 -0.0316 -1.56 0.212 -0.0359 -1.85 -2.4081 -0.9963 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 A01 compound treatment 0.203 -0.0471 -2.32 0.193 -0.0597 -3.08 -3.8139 -0.9903 2074793 Maybridge2_000353 Cc1ccc(NC(=O)C2CN(Cc3ccco3)C(=O)C2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 A02 compound treatment 0.243 -0.00706 -0.35 0.25 -0.00274 -0.14 -0.3458 -0.9211 1173073 Maybridge2_000354 CN(C)CCNc1cc(nc2ccccc12)c3ccncc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 A03 compound treatment 0.247 -0.00306 -0.15 0.247 -0.00574 -0.3 -0.3157 -0.9513 1014318 Maybridge2_000355 OC(=O)CN(Cc1ccccc1)Cc2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 A04 compound treatment 0.227 -0.0231 -1.14 0.239 -0.0137 -0.71 -1.3035 -0.974 2074794 Maybridge2_000356 CS/C(=C(/C#N)\S(=O)(=O)c1ccc(Cl)cc1)/N2CCSCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 A05 compound treatment 0.237 -0.0131 -0.64 0.239 -0.0137 -0.71 -0.9552 -0.9989 2074795 Maybridge2_000357 Fc1cn(C2CCCO2)c(=O)n(Cc3cccc4ccccc34)c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 A06 compound treatment 0.367 0.117 5.76 0.37 0.117 6.04 8.341 0.9997 1411803 Maybridge2_000358 S=C1SC(CC(=C1)N2CCCCC2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 A07 compound treatment 0.243 -0.00706 -0.35 0.246 -0.00674 -0.35 -0.4915 -1.0 2074796 Maybridge2_000359 Cc1cc(C)c(C#N)c(n1)N2CCN(CC2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 A08 compound treatment 0.251 9.35E-4 0.05 0.255 0.00226 0.12 0.1148 0.9179 1585551 Maybridge2_000360 Cc1ccc(SC2CN(C2)C(c3ccccc3)c4ccccc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 A09 compound treatment 0.253 0.00294 0.14 0.245 -0.00774 -0.4 -0.1796 -0.4236 1016614 Maybridge2_000361 CN(C)c1ccc(cc1)c2ccncc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 A10 compound treatment 0.237 -0.0131 -0.64 0.245 -0.00774 -0.4 -0.7368 -0.9735 2074797 Maybridge2_000362 Cc1nc2c(N3CCOCC3)c(Cl)c(Cl)c(Cl)c2[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 A11 compound treatment 0.241 -0.00906 -0.45 0.246 -0.00674 -0.35 -0.5611 -0.9923 2074798 Maybridge2_000363 Clc1ccc(cc1)C2C3CCc4ccccc4C3=NN2C(=O)CN5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 A12 compound treatment 0.262 0.0119 0.59 0.28 0.0273 1.4 1.4079 0.9254 1360824 Maybridge2_000364 COC(=O)C1CSC(=CC1N(C)C)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 A13 compound treatment 0.247 -0.00306 -0.15 0.247 -0.00574 -0.3 -0.3157 -0.9513 2074799 Maybridge2_000365 C1CCN(C1)c2nnc(c3ccccc3)c(n2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 A14 compound treatment 0.259 0.00894 0.44 0.257 0.00426 0.22 0.4662 0.9482 2074800 Maybridge2_000366 O=C/1Nc2ccccc2\C1=N\C3CCN(Cc4ccccc4)CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 A15 compound treatment 0.273 0.0229 1.13 0.27 0.0173 0.89 1.427 0.9929 2074801 Maybridge2_000367 Cc1sc(NC(=O)CN2CCN(CC2)c3ccccc3)c(C#N)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 A16 compound treatment 0.239 -0.0111 -0.54 0.247 -0.00574 -0.3 -0.5944 -0.9587 2074802 Maybridge2_000368 COc1c(Cl)cc(Cl)c(OC)c1C(=O)N2CC(C)OC(C)C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 A17 compound treatment 0.287 0.0369 1.82 0.293 0.0403 2.07 2.7518 0.9979 2074803 Maybridge2_000369 O=C(Cn1cnc2sc(cc2c1=O)c3ccccc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 A18 compound treatment 0.244 -0.00606 -0.3 0.245 -0.00774 -0.4 -0.493 -0.9899 2074804 Maybridge2_000370 CC(=O)Cn1cc(Cl)c(=O)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 A19 compound treatment 0.367 0.117 5.76 0.373 0.12 6.19 8.4502 0.9993 2074805 Maybridge2_000371 CC(=O)c1sc2nsc(SCCN3CCCC3)c2c1N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 A20 compound treatment 0.239 -0.0111 -0.54 0.246 -0.00674 -0.35 -0.6308 -0.9763 2074806 Maybridge2_000372 COc1cc(c(cn1)C(=O)N(C)Cc2ccccc2Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 A21 compound treatment 0.244 -0.00606 -0.3 0.241 -0.0117 -0.6 -0.6386 -0.9472 2074807 Maybridge2_000373 CCOC(=O)c1cc(sc1NC(=O)CN2CCCC2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 A22 compound treatment 0.236 -0.0141 -0.69 0.238 -0.0147 -0.76 -1.0265 -0.999 2074808 Maybridge2_000374 CCSc1cc(c(cn1)C(=O)N(C)Cc2c(OC)cccc2OC)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 A23 mock treatment 0.23 -0.0201 -0.99 0.245 -0.00774 -0.4 -0.9806 -0.9203 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 A24 mock treatment 0.213 -0.0371 -1.83 0.214 -0.0387 -1.99 -2.7011 -0.999 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 B01 compound treatment 0.224 -0.0261 -1.28 0.249 -0.00374 -0.19 -1.044 -0.8042 2074809 Maybridge2_000375 CC(C)N(C(C)C)C1N=C(c2ccccc2)c3cc(Cl)ccc3N(C)C1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 B02 compound treatment 0.265 0.0149 0.74 0.27 0.0173 0.89 1.1484 0.9956 2074810 Maybridge2_000376 Clc1cccc(NC(=O)OC2CN3CCC2CC3)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 B03 compound treatment 0.257 0.00694 0.34 0.262 0.00926 0.48 0.5786 0.9867 1238984 Maybridge2_000377 Clc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 B04 compound treatment 0.258 0.00794 0.39 0.265 0.0123 0.63 0.7226 0.9735 2074811 Maybridge2_000378 OC(=O)CC1(CC(=O)Nc2ccc(cc2)N3CCCCC3)CCCCC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 B05 compound treatment 0.259 0.00894 0.44 0.263 0.0103 0.53 0.6846 0.9959 2074812 Maybridge2_000379 CCCc1c(C)nc(SCc2c(F)cccc2Cl)nc1OC(=O)N(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 B06 compound treatment 0.266 0.0159 0.78 0.267 0.0143 0.73 1.074 0.9994 2074813 Maybridge2_000380 Fc1ccc(cc1)S(=O)(=O)N2CCC(=CC2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 B07 compound treatment 0.259 0.00894 0.44 0.263 0.0103 0.53 0.6846 0.9959 2074814 Maybridge2_000381 Clc1ccc(Cn2nnc(n2)N3CCCC3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 B08 compound treatment 0.288 0.0379 1.87 0.287 0.0343 1.76 2.5683 0.9996 2074815 Maybridge2_000382 O=C(N1CCC(=CC1)c2ccccc2)c3csc4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 B09 compound treatment 0.271 0.0209 1.03 0.268 0.0153 0.79 1.2846 0.991 2074816 Maybridge2_000383 CN(C)C(=O)Oc1nc(nc(C)c1C)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 B10 compound treatment 0.254 0.00394 0.19 0.257 0.00426 0.22 0.2921 0.9981 2074817 Maybridge2_000384 O=S(=O)(N1CCC(=CC1)c2ccccc2)c3ccsc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 B11 compound treatment 0.259 0.00894 0.44 0.261 0.00826 0.43 0.6118 0.9999 2074818 Maybridge2_000385 CC(=O)N1C(CSC1c2cccs2)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 B12 compound treatment 0.265 0.0149 0.74 0.265 0.0123 0.63 0.9664 0.9971 2074819 Maybridge2_000386 Cc1ccc(C)n1CCN2CCN(CC2)S(=O)(=O)Cc3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 B13 compound treatment 0.287 0.0369 1.82 0.292 0.0393 2.02 2.7154 0.9986 2071084 Maybridge2_000387 CN1C/C(=C\c2ccccc2)/C(=O)\C(=C\c3ccccc3)\C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 B14 compound treatment 0.26 0.00994 0.49 0.264 0.0113 0.58 0.7558 0.9965 2074820 Maybridge2_000388 CN1CCN(CC1)c2ccc(NC(=O)c3cccc4CC(C)(C)Oc43)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 B15 compound treatment 0.26 0.00994 0.49 0.261 0.00826 0.43 0.6466 0.9975 2074821 Maybridge2_000389 CC1C(N2CCCCC2)C(=O)N(C1=O)c3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 B16 compound treatment 0.263 0.0129 0.64 0.265 0.0123 0.63 0.8967 1.0 2074822 Maybridge2_000390 Fc1cc(CN2CCS(=O)(=O)CC2)c3OCOCc3c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 B17 compound treatment 0.265 0.0149 0.74 0.27 0.0173 0.89 1.1484 0.9956 2074823 Maybridge2_000391 CN(C)c1ccncc1C(O)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 B18 compound treatment 0.259 0.00894 0.44 0.259 0.00626 0.32 0.539 0.9882 2074824 Maybridge2_000392 O=S1(=O)CCN(Cc2ccc(cc2)N3CCOCC3)CC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 B19 compound treatment 0.254 0.00394 0.19 0.253 2.58E-4 0.01 0.1465 0.7538 2074825 Maybridge2_000393 Fc1ccc(cc1)C2CCCN2S(=O)(=O)c3cccc4cccnc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 B20 compound treatment 0.258 0.00794 0.39 0.254 0.00126 0.06 0.3222 0.8132 2074826 Maybridge2_000394 FC(F)(F)c1ccc(cc1)S(=O)(=O)NCCN2CCCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 B21 compound treatment 0.257 0.00694 0.34 0.262 0.00926 0.48 0.5786 0.9867 2074827 Maybridge2_000395 FC(F)(F)c1cccc(c1)S(=O)(=O)N2CCCC2c3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 B22 compound treatment 0.248 -0.00206 -0.1 0.252 -7.42E-4 -0.04 -0.0989 -0.9106 2074828 Maybridge2_000396 OC(CN1CCC(=CC1)c2ccccc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 B23 mock treatment 0.253 0.00294 0.14 0.266 0.0133 0.68 0.5849 0.8383 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 B24 mock treatment 0.249 -0.00106 -0.05 0.249 -0.00374 -0.19 -0.1733 -0.868 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 C01 compound treatment 0.234 -0.0161 -0.79 0.236 -0.0167 -0.86 -1.1689 -0.9991 2074829 Maybridge2_000397 Fc1ccc(NC(=O)C2CN(Cc3ccco3)C(=O)C2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 C02 compound treatment 0.247 -0.00306 -0.15 0.25 -0.00274 -0.14 -0.2065 -0.9994 1122383 Maybridge2_000398 CN1CCN(CC1)c2cc(nc3ccccc23)c4ccncc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 C03 compound treatment 0.244 -0.00606 -0.3 0.243 -0.00974 -0.5 -0.5658 -0.9693 2074830 Maybridge2_000399 Cc1ccccc1Cn2cc(C)c(=O)[nH]c2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 C04 compound treatment 0.245 -0.00506 -0.25 0.249 -0.00374 -0.19 -0.3126 -0.9918 2074831 Maybridge2_000400 Clc1ccc(CS(=O)(=O)/C(=C/N2CCOCC2)/C#N)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 C05 compound treatment 0.24 -0.0101 -0.5 0.246 -0.00674 -0.35 -0.5959 -0.9848 1009314 Maybridge2_000401 CCN(CC)c1ncnc2[nH]cnc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 C06 compound treatment 0.246 -0.00406 -0.2 0.245 -0.00774 -0.4 -0.4234 -0.9493 2074832 Maybridge2_000402 COc1ccc(cc1)C(=O)/C(=C/N2CCc3ccccc3C2)/C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 C07 compound treatment 0.244 -0.00606 -0.3 0.248 -0.00474 -0.24 -0.3838 -0.995 2074833 Maybridge2_000403 Cc1cc(C)c2c(n1)sc3c(=O)n(CC=C)cnc32 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 C08 compound treatment 0.283 0.0329 1.62 0.29 0.0373 1.92 2.5033 0.9965 1199989 Maybridge2_000404 C1C(CN1C(c2ccccc2)c3ccccc3)Sc4nc5ccccc5s4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 C09 compound treatment 0.244 -0.00606 -0.3 0.249 -0.00374 -0.19 -0.3474 -0.9775 2074834 Maybridge2_000405 O=C(Nc1csc2ccccc12)N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 C10 compound treatment 0.254 0.00394 0.19 0.253 2.58E-4 0.01 0.1465 0.7538 2074835 Maybridge2_000406 CCN(CC)CC(=O)c1sc2ccc(Cl)cc2c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 C11 compound treatment 0.248 -0.00206 -0.1 0.246 -0.00674 -0.35 -0.3173 -0.8774 2074836 Maybridge2_000407 O=C(CN1CCc2ccccc12)N3CCc4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 C12 compound treatment 0.254 0.00394 0.19 0.25 -0.00274 -0.14 0.0372 0.1553 2074837 Maybridge2_000408 Brc1ccc(cc1)n2nnnc2/C=C/N3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 C13 compound treatment 0.238 -0.0121 -0.59 0.248 -0.00474 -0.24 -0.5928 -0.9228 2074838 Maybridge2_000409 O=C(CN1CCCc2ccccc12)N3CCCc4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 C14 compound treatment 0.274 0.0239 1.18 0.27 0.0173 0.89 1.4618 0.9903 1480993 Maybridge2_000410 O=C(N1CCN(Cc2ccccc2)CC1)c3cc4CCc5ccccc5-c4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 C15 compound treatment 0.272 0.0219 1.08 0.278 0.0253 1.3 1.6834 0.9958 2074839 Maybridge2_000411 Cc1sc(NC(=O)CN2CCc3ccccc23)c(C#N)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 C16 compound treatment 0.242 -0.00806 -0.4 0.241 -0.0117 -0.6 -0.7083 -0.9793 2074840 Maybridge2_000412 Oc1cc(CN2CCCC2)nc(n1)c3cc(cc(c3)C(F)(F)F)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 C17 compound treatment 0.263 0.0129 0.64 0.257 0.00426 0.22 0.6055 0.8987 2074841 Maybridge2_000413 CC(=O)Cn1cnc2sc(cc2c1=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 C18 compound treatment 0.272 0.0219 1.08 0.272 0.0193 0.99 1.465 0.9991 2074842 Maybridge2_000414 Clc1ccc(cc1)C(=O)N(Cc2cccnc2)Cc3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 C19 compound treatment 0.378 0.128 6.3 0.36 0.107 5.52 8.3601 0.9978 2074843 Maybridge2_000415 CC(=O)c1sc2nsc(SCCN3CCOCC3)c2c1N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 C20 compound treatment 0.239 -0.0111 -0.54 0.241 -0.0117 -0.6 -0.8128 -0.9987 2074844 Maybridge2_000416 COc1cc(c(cn1)C(=O)N(C)Cc2cccc(Cl)c2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 C21 compound treatment 0.248 -0.00206 -0.1 0.25 -0.00274 -0.14 -0.1717 -0.987 2074845 Maybridge2_000417 Fc1ccc(cc1)N2CCN(CC2)C3=Cc4ccccc4CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 C22 compound treatment 0.244 -0.00606 -0.3 0.246 -0.00674 -0.35 -0.4566 -0.9972 2074846 Maybridge2_000418 COc1cccc(OC)c1CN(C)C(=O)c2cnccc2C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 C23 mock treatment 0.245 -0.00506 -0.25 0.244 -0.00874 -0.45 -0.4946 -0.9613 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 C24 mock treatment 0.24 -0.0101 -0.5 0.234 -0.0187 -0.96 -1.0328 -0.9521 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 D01 compound treatment 0.26 0.00994 0.49 0.261 0.00826 0.43 0.6466 0.9975 1687697 Maybridge2_000419 Clc1ccccc1CN2CCN(CC2)c3cccc4[nH]ccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 D02 compound treatment 0.251 9.35E-4 0.05 0.252 -7.42E-4 -0.04 0.0056 0.0931 2074847 Maybridge2_000420 Clc1ccc(NC(=O)OC2CN3CCC2CC3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 D03 compound treatment 0.257 0.00694 0.34 0.252 -7.42E-4 -0.04 0.2145 0.6242 1224648 Maybridge2_000421 O=C(N1CCN(Cc2ccccc2)CC1)c3ccco3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 D04 compound treatment 0.257 0.00694 0.34 0.25 -0.00274 -0.14 0.1417 0.3835 2074848 Maybridge2_000422 Cc1noc(c1NC(=O)N2CCSCC2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 D05 compound treatment 0.256 0.00594 0.29 0.252 -7.42E-4 -0.04 0.1797 0.6095 2074849 Maybridge2_000423 Cc1nc(nc(O)c1Cc2c(F)cccc2Cl)N3CCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 D06 compound treatment 0.272 0.0219 1.08 0.271 0.0183 0.94 1.4286 0.9976 2074850 Maybridge2_000424 Cc1ccc(cc1F)S(=O)(=O)N2CCC(=CC2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 D07 compound treatment 0.282 0.0319 1.57 0.271 0.0183 0.94 1.7769 0.9697 2074851 Maybridge2_000425 CN(C)C(=O)Oc1cc(C)nc(n1)c2ccc(F)c(Cl)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 D08 compound treatment 0.263 0.0129 0.64 0.266 0.0133 0.68 0.9331 0.9994 2074852 Maybridge2_000426 O=C(N1CCC(=CC1)c2ccccc2)c3csc(n3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 D09 compound treatment 0.252 0.00194 0.1 0.257 0.00426 0.22 0.2224 0.9304 2074853 Maybridge2_000427 CCc1cc(OC(=O)N(C)C)nc(n1)c2ccc(F)c(Cl)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 D10 compound treatment 0.277 0.0269 1.33 0.28 0.0273 1.4 1.9303 0.9996 2074854 Maybridge2_000428 O=S(=O)(N1CCC(=CC1)c2ccccc2)c3ccc4OCCCOc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 D11 compound treatment 0.267 0.0169 0.83 0.266 0.0133 0.68 1.0724 0.995 2074855 Maybridge2_000429 CCN(CC)C(=O)Sc1c(Br)cc(Br)cc1Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 D12 compound treatment 0.254 0.00394 0.19 0.256 0.00326 0.17 0.2557 0.9974 2074856 Maybridge2_000430 NC(=O)C1CCN(CC1)S(=O)(=O)Cc2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 D13 compound treatment 0.643 0.393 19.35 0.637 0.384 19.78 27.6727 0.9999 2074637 Maybridge2_000431 CN1C/C(=C\c2cccs2)/C(=O)\C(=C\c3cccs3)\C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 D14 compound treatment 0.252 0.00194 0.1 0.248 -0.00474 -0.24 -0.1052 -0.4015 2074857 Maybridge2_000432 CC1(C)Cc2cccc(C(=O)N3CCC(CC3)C(=O)c4ccc(Cl)cc4)c2O1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 D15 compound treatment 0.29 0.0399 1.97 0.283 0.0303 1.56 2.4923 0.9933 2074858 Maybridge2_000433 CN1N=C/2C(CN(C)C\C2=C/c3ccc(cc3)C(F)(F)F)C1c4ccc(cc4)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 D16 compound treatment 0.26 0.00994 0.49 0.258 0.00526 0.27 0.5374 0.961 2074859 Maybridge2_000434 O=S1(=O)CCN(Cc2ccc(cc2)n3cccn3)CC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 D17 compound treatment 0.269 0.0189 0.93 0.267 0.0143 0.73 1.1785 0.993 2074860 Maybridge2_000435 CC(=O)N1CCC(CC1)C(=O)Nc2nc3ccc(Cl)cc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 D18 compound treatment 0.257 0.00694 0.34 0.26 0.00726 0.37 0.5058 0.999 2074861 Maybridge2_000436 O=S(=O)(N(Cc1ccccn1)Cc2ccccn2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 D19 compound treatment 0.26 0.00994 0.49 0.258 0.00526 0.27 0.5374 0.961 2074862 Maybridge2_000437 CN1CCOc2cc(ccc12)S(=O)(=O)N3CCCC3c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 D20 compound treatment 0.249 -0.00106 -0.05 0.251 -0.00174 -0.09 -0.1005 -0.9673 2074863 Maybridge2_000438 Cc1cc(nn1C)C(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 D21 compound treatment 0.26 0.00994 0.49 0.258 0.00526 0.27 0.5374 0.961 2074864 Maybridge2_000439 Cc1ccc(cc1)S(=O)(=O)N2CCCC2c3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 D22 compound treatment 0.253 0.00294 0.14 0.254 0.00126 0.06 0.148 0.9344 2074865 Maybridge2_000440 OC(CNCc1cc2ccccc2s1)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 D23 mock treatment 0.257 0.00694 0.34 0.255 0.00226 0.12 0.3237 0.8972 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 D24 mock treatment 0.244 -0.00606 -0.3 0.247 -0.00574 -0.3 -0.4202 -1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 E01 compound treatment 0.241 -0.00906 -0.45 0.246 -0.00674 -0.35 -0.5611 -0.9923 2074866 Maybridge2_000441 FC(F)(F)c1ccc(nc1)N2CCCN(CC2)C(=O)Nc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 E02 compound treatment 0.255 0.00494 0.24 0.253 2.58E-4 0.01 0.1813 0.7446 2074867 Maybridge2_000442 CN(C)C(=O)Oc1ccnc(SCc2c(Cl)cccc2Cl)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 E03 compound treatment 0.279 0.0289 1.43 0.278 0.0253 1.3 1.9272 0.999 1286698 Maybridge2_000443 CN(C)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 E04 compound treatment 0.26 0.00994 0.49 0.268 0.0153 0.79 0.9015 0.9741 2074868 Maybridge2_000444 Cc1nc(ncc1S(=O)(=O)c2ccc(Cl)cc2)N3CCSCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 E05 compound treatment 0.251 9.35E-4 0.05 0.253 2.58E-4 0.01 0.042 0.8753 1538786 Maybridge2_000445 Clc1ccc(CNCc2cccnc2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 E06 compound treatment 0.272 0.0219 1.08 0.27 0.0173 0.89 1.3922 0.9953 2074869 Maybridge2_000446 CN(C)CC#Cc1ccc(s1)c2ccn(n2)S(=O)(=O)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 E07 compound treatment 0.263 0.0129 0.64 0.263 0.0103 0.53 0.8239 0.9957 2074870 Maybridge2_000447 Cc1cc(C)c2c(n1)sc3c(ncnc32)N4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 E08 compound treatment 0.262 0.0119 0.59 0.271 0.0183 0.94 1.0803 0.9745 2074871 Maybridge2_000448 OC(=O)CCCN1CCC(=CC1)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 E09 compound treatment 0.254 0.00394 0.19 0.259 0.00626 0.32 0.3649 0.9704 2074872 Maybridge2_000449 NC(=O)C1CCN(CC1)C(=O)Nc2csc3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 E10 compound treatment 0.261 0.0109 0.54 0.261 0.00826 0.43 0.6815 0.9931 2074873 Maybridge2_000450 CN(C)/C=C(\C#N)/C(=O)c1sc2ccc(Cl)cc2c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 E11 compound treatment 0.26 0.00994 0.49 0.252 -7.42E-4 -0.04 0.319 0.6499 2074874 Maybridge2_000451 O=C(CN1CCCc2ccccc12)N3CCc4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 E12 compound treatment 0.263 0.0129 0.64 0.262 0.00926 0.48 0.7875 0.9898 2074875 Maybridge2_000452 Brc1ccc(cc1)n2nnnc2/C=C/N3CCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 E13 compound treatment 0.25 -6.45E-5 0.0 0.256 0.00326 0.17 0.1164 0.6936 2074876 Maybridge2_000453 O=C(CN1CCc2ccccc12)N3CCCc4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 E14 compound treatment 0.33 0.0799 3.94 0.338 0.0853 4.39 5.8875 0.9985 2074877 Maybridge2_000454 CN(CCC#N)c1ccc(/C=C\2/N=C(OC2=O)c3ccccc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 E15 compound treatment 0.257 0.00694 0.34 0.258 0.00526 0.27 0.4329 0.9934 2074878 Maybridge2_000455 Cc1sc(NC(=O)CN2CCCC2)c(C#N)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 E16 compound treatment 0.3 0.0499 2.46 0.292 0.0393 2.02 3.1682 0.9952 2074879 Maybridge2_000456 CC1CN(CC(C)O1)c2nc(cc(c2C#N)C(F)(F)F)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 E17 compound treatment 0.296 0.0459 2.26 0.286 0.0333 1.71 2.8105 0.9906 1247492 Maybridge2_000457 Clc1ccccc1Cn2cnc3sc(cc3c2=O)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 E18 compound treatment 0.261 0.0109 0.54 0.264 0.0113 0.58 0.7907 0.9993 2074880 Maybridge2_000458 CC(C)(C)C(=O)N(Cc1ccc(Cl)cc1)Cc2cccnc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 E19 compound treatment 0.249 -0.00106 -0.05 0.248 -0.00474 -0.24 -0.2097 -0.8398 2074881 Maybridge2_000459 Nc1c(sc2nsc(SCCN3CCCCC3)c12)C(=O)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 E20 compound treatment 0.249 -0.00106 -0.05 0.248 -0.00474 -0.24 -0.2097 -0.8398 2074882 Maybridge2_000460 CCN(Cc1cccc(Cl)c1)C(=O)c2cnc(OC)cc2C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 E21 compound treatment 0.265 0.0149 0.74 0.262 0.00926 0.48 0.8572 0.9779 2074883 Maybridge2_000461 C(C1CCN(CC1)C2=Cc3ccccc3CC2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 E22 compound treatment 0.255 0.00494 0.24 0.257 0.00426 0.22 0.3269 0.9987 1203973 Maybridge2_000462 CN(C)c1ccncc1C(=O)Nc2ccc(F)cc2F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 E23 mock treatment 0.255 0.00494 0.24 0.253 2.58E-4 0.01 0.1813 0.7446 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 E24 mock treatment 0.245 -0.00506 -0.25 0.251 -0.00174 -0.09 -0.2398 -0.9046 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 F01 compound treatment 0.27 0.0199 0.98 0.268 0.0153 0.79 1.2497 0.9939 1379513 Maybridge2_000463 Clc1ccc(CN2CCN(CC2)c3cccc4[nH]ccc34)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 F02 compound treatment 0.267 0.0169 0.83 0.27 0.0173 0.89 1.218 0.9995 2074884 Maybridge2_000464 Cc1ccccc1NC(=O)OC2CN3CCC2CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 F03 compound treatment 0.267 0.0169 0.83 0.262 0.00926 0.48 0.9268 0.9648 1240135 Maybridge2_000465 CN1CCN(CC1)c2c3C4CCC(C)(c3nc5ccccc25)C4(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 F04 compound treatment 0.258 0.00794 0.39 0.256 0.00326 0.17 0.395 0.9287 2074885 Maybridge2_000466 FC(F)(F)c1cccc(CS(=O)(=O)N2CCOCC2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 F05 compound treatment 0.259 0.00894 0.44 0.265 0.0123 0.63 0.7574 0.9845 2074886 Maybridge2_000467 CN(C)C(=O)Oc1cc(C)nc(SCc2c(Cl)cccc2Cl)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 F06 compound treatment 0.265 0.0149 0.74 0.26 0.00726 0.37 0.7844 0.9507 2074887 Maybridge2_000468 Fc1cccc(c1)C(=O)N2CCC(=CC2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 F07 compound treatment 0.266 0.0159 0.78 0.266 0.0133 0.68 1.0376 0.9976 2074888 Maybridge2_000469 CCN(CC)C(=O)Oc1cc(C)nc(n1)c2ccc(F)c(Cl)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 F08 compound treatment 0.264 0.0139 0.69 0.271 0.0183 0.94 1.15 0.9881 2074889 Maybridge2_000470 Cc1c(Cl)cc(F)cc1S(=O)(=O)N2CCC(=CC2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 F09 compound treatment 0.263 0.0129 0.64 0.257 0.00426 0.22 0.6055 0.8987 2074890 Maybridge2_000471 CCCc1cc(=O)oc2cc(OC(=O)N(C)C)ccc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 F10 compound treatment 0.261 0.0109 0.54 0.264 0.0113 0.58 0.7907 0.9993 1620449 Maybridge2_000472 Fc1ccccc1S(=O)(=O)N2CCC(=CC2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 F11 compound treatment 0.255 0.00494 0.24 0.255 0.00226 0.12 0.2541 0.943 2074891 Maybridge2_000473 CCCN(CCC)S(=O)(=O)c1ccc(cc1)c2nc3ccc(C)cc3o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 F12 compound treatment 0.272 0.0219 1.08 0.265 0.0123 0.63 1.2102 0.9672 2074892 Maybridge2_000474 O=S(=O)(N1CCCCC1c2cccnc2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 F13 compound treatment 0.269 0.0189 0.93 0.268 0.0153 0.79 1.2149 0.9964 2074893 Maybridge2_000475 O=S(=O)(N1CCOCC1)c2csc3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 F14 compound treatment 0.252 0.00194 0.1 0.26 0.00726 0.37 0.3316 0.86 2074894 Maybridge2_000476 CN1CCN(CC1)C(=O)c2cccc3CC(C)(C)Oc32 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 F15 compound treatment 0.262 0.0119 0.59 0.26 0.00726 0.37 0.6799 0.9761 2074895 Maybridge2_000477 Cc1csc2c(=O)n(CCN3CCSCC3)c(=O)[nH]c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 F16 compound treatment 0.258 0.00794 0.39 0.255 0.00226 0.12 0.3586 0.8793 2074896 Maybridge2_000478 Cn1cccc1CN2CCS(=O)(=O)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 F17 compound treatment 0.273 0.0229 1.13 0.271 0.0183 0.94 1.4634 0.9958 2074897 Maybridge2_000479 CC(=O)N1CCC(CC1)C(=O)Nc2ccc3nc(C)ccc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 F18 compound treatment 0.265 0.0149 0.74 0.262 0.00926 0.48 0.8572 0.9779 1398018 Maybridge2_000480 Clc1ccc(cc1)S(=O)(=O)N(Cc2ccccn2)Cc3ccccn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 F19 compound treatment 0.256 0.00594 0.29 0.262 0.00926 0.48 0.5437 0.9725 2074898 Maybridge2_000481 Fc1ccc(cc1)C2CCCN2S(=O)(=O)c3ccc(cc3)c4cnco4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 F20 compound treatment 0.258 0.00794 0.39 0.255 0.00226 0.12 0.3586 0.8793 2074899 Maybridge2_000482 Cc1cc(nn1C)C(=O)N2CCN=C(C=C2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 F21 compound treatment 0.255 0.00494 0.24 0.256 0.00326 0.17 0.2905 0.9836 2074900 Maybridge2_000483 Fc1ccccc1NC(=O)N2CCCC2c3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 F22 compound treatment 0.262 0.0119 0.59 0.262 0.00926 0.48 0.7527 0.9946 2074901 Maybridge2_000484 OC(CNCc1ccc(cc1)c2cccs2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 F23 mock treatment 0.257 0.00694 0.34 0.264 0.0113 0.58 0.6514 0.9682 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 F24 mock treatment 0.25 -6.45E-5 0.0 0.256 0.00326 0.17 0.1164 0.6936 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 G01 compound treatment 0.242 -0.00806 -0.4 0.243 -0.00974 -0.5 -0.6355 -0.9933 2074902 Maybridge2_000485 CC(C)(C)NC(=O)N1CCCN(CC1)c2ccc(cn2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 G02 compound treatment 0.255 0.00494 0.24 0.25 -0.00274 -0.14 0.0721 0.2564 2074903 Maybridge2_000486 CN(C)C(=O)Oc1ccnc(SCc2ccc(Cl)cc2Cl)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 G03 compound treatment 0.256 0.00594 0.29 0.255 0.00226 0.12 0.2889 0.9183 2074904 Maybridge2_000487 COC(=O)C1Cc2c([nH]c3ccccc23)C(N1)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 G04 compound treatment 0.257 0.00694 0.34 0.258 0.00526 0.27 0.4329 0.9934 2074905 Maybridge2_000488 O=C1CS(=O)(=O)C(N1CC2CC2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 G05 compound treatment 0.252 0.00194 0.1 0.247 -0.00574 -0.3 -0.1416 -0.4559 1288613 Maybridge2_000489 C(NCc1cccnc1)c2ccco2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 G06 compound treatment 0.244 -0.00606 -0.3 0.251 -0.00174 -0.09 -0.2746 -0.8806 2074906 Maybridge2_000490 ON=C1CC2CCCC(C1)N2Cc3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 G07 compound treatment 0.26 0.00994 0.49 0.268 0.0153 0.79 0.9015 0.9741 2074907 Maybridge2_000491 CN1CCN(CC1)c2ncnc3c2sc4nc(C)cc(C)c43 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 G08 compound treatment 0.265 0.0149 0.74 0.269 0.0163 0.84 1.112 0.9979 1401140 Maybridge2_000492 Brc1ccc(s1)S(=O)(=O)N2CCN(Cc3ccccc3)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 G09 compound treatment 0.254 0.00394 0.19 0.253 2.58E-4 0.01 0.1465 0.7538 2074908 Maybridge2_000493 CC1CCN(CC1)C(=O)Nc2csc3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 G10 compound treatment 0.256 0.00594 0.29 0.255 0.00226 0.12 0.2889 0.9183 2074909 Maybridge2_000494 Ic1ccc(NC(=O)CN2CCCC2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 G11 compound treatment 0.251 9.35E-4 0.05 0.249 -0.00374 -0.19 -0.1036 -0.5232 2074910 Maybridge2_000495 O=C(CN1CCCC1)N2CCc3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 G12 compound treatment 0.263 0.0129 0.64 0.259 0.00626 0.32 0.6783 0.9501 1615107 Maybridge2_000496 CN(C)CCC(O)c1ccc2OCCCCOc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 G13 compound treatment 0.259 0.00894 0.44 0.255 0.00226 0.12 0.3934 0.8642 2074911 Maybridge2_000497 O=C(CN1CCN(CC1)c2ccccc2)N3CCCc4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 G14 compound treatment 0.276 0.0259 1.28 0.273 0.0203 1.04 1.6407 0.9949 1590454 Maybridge2_000498 CN(C)CCC(=O)Nc1nc(cs1)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 G15 compound treatment 0.243 -0.00706 -0.35 0.254 0.00126 0.06 -0.2002 -0.5658 1327521 Maybridge2_000499 CCN(CC)c1ncnc2sc(cc12)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 G16 compound treatment 0.246 -0.00406 -0.2 0.249 -0.00374 -0.19 -0.2778 -0.9998 2074912 Maybridge2_000500 CN(C)C(=O)Oc1cc(CSC(C)(C)C)nc(n1)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 G17 compound treatment 0.284 0.0339 1.67 0.297 0.0443 2.28 2.793 0.9884 1511025 Maybridge2_000501 CCOC(=O)Cn1cnc2sc(cc2c1=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 G18 compound treatment 0.347 0.0969 4.77 0.351 0.0983 5.06 6.9528 0.9996 2074913 Maybridge2_000502 Clc1ccc(CN(Cc2cccnc2)S(=O)(=O)c3ccc(Cl)cc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 G19 compound treatment 0.261 0.0109 0.54 0.268 0.0153 0.79 0.9363 0.9831 2074914 Maybridge2_000503 Nc1c(sc2nsc(SCCN3CCOCC3)c12)C(=O)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 G20 compound treatment 0.251 9.35E-4 0.05 0.246 -0.00674 -0.35 -0.2128 -0.6079 2074915 Maybridge2_000504 CCN(Cc1cccc(Cl)c1Cl)C(=O)c2cnc(OC)cc2C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 G21 compound treatment 0.255 0.00494 0.24 0.259 0.00626 0.32 0.3997 0.9904 2074916 Maybridge2_000505 CC1CCc2c(C#N)c(NC(=O)CN(Cc3ccccc3)Cc4ccccc4)sc2C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 G22 compound treatment 0.261 0.0109 0.54 0.258 0.00526 0.27 0.5723 0.9493 2074917 Maybridge2_000506 CN(C)/C=C/C(=O)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 G23 mock treatment 0.256 0.00594 0.29 0.255 0.00226 0.12 0.2889 0.9183 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 G24 mock treatment 0.249 -0.00106 -0.05 0.249 -0.00374 -0.19 -0.1733 -0.868 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 H01 compound treatment 0.251 9.35E-4 0.05 0.255 0.00226 0.12 0.1148 0.9179 1462187 Maybridge2_000507 Fc1ccccc1CN2CCN(CC2)c3cccc4[nH]ccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 H02 compound treatment 0.255 0.00494 0.24 0.252 -7.42E-4 -0.04 0.1449 0.5888 2074918 Maybridge2_000508 Cc1cccc(NC(=O)OC2CN3CCC2CC3)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 H03 compound treatment 0.257 0.00694 0.34 0.257 0.00426 0.22 0.3965 0.977 1623409 Maybridge2_000509 CN1CCN(CC1)c2cc(nc3ccccc23)c4cccnc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 H04 compound treatment 0.267 0.0169 0.83 0.272 0.0193 0.99 1.2909 0.9963 2074919 Maybridge2_000510 FC(F)(F)c1cccc(CS(=O)(=O)N2CCCCC2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 H05 compound treatment 0.257 0.00694 0.34 0.258 0.00526 0.27 0.4329 0.9934 2074920 Maybridge2_000511 CN(C)C(=O)Oc1cc(C)nc(n1)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 H06 compound treatment 0.25 -6.45E-5 0.0 0.248 -0.00474 -0.24 -0.1749 -0.7163 2074921 Maybridge2_000512 O=C(N1CCC(=CC1)c2ccccc2)c3ccsc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 H07 compound treatment 0.259 0.00894 0.44 0.25 -0.00274 -0.14 0.2114 0.4574 2074922 Maybridge2_000513 CC(C)CCc1c(C)nc(nc1O)N2CCOCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 H08 compound treatment 0.285 0.0349 1.72 0.283 0.0303 1.56 2.3182 0.9988 2074923 Maybridge2_000514 Clc1cc(Cl)cc(c1)S(=O)(=O)N2CCC(=CC2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 H09 compound treatment 0.25 -6.45E-5 0.0 0.252 -7.42E-4 -0.04 -0.0293 -0.7633 2074924 Maybridge2_000515 CCCc1cc(OC(=O)N(C)C)nc(n1)c2cccc(C)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 H10 compound treatment 0.269 0.0189 0.93 0.266 0.0133 0.68 1.1421 0.9882 2074925 Maybridge2_000516 COc1ccc(c(OC)c1)S(=O)(=O)N2CCC(=CC2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 H11 compound treatment 0.281 0.0309 1.52 0.278 0.0253 1.3 1.9968 0.9969 2074926 Maybridge2_000517 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 H12 compound treatment 0.266 0.0159 0.78 0.256 0.00326 0.17 0.6736 0.8393 2074927 Maybridge2_000518 Fc1ccc(CN2CCCN(Cc3ccc(F)cc3)C2c4ccco4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 H13 compound treatment 0.263 0.0129 0.64 0.26 0.00726 0.37 0.7147 0.9677 1939214 Maybridge2_000519 COc1ccc(cc1)N2C(=O)CC(N3CCSCC3)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 H14 compound treatment 0.249 -0.00106 -0.05 0.243 -0.00974 -0.5 -0.3917 -0.7768 2074928 Maybridge2_000520 CC1(C)Cc2cccc(C(=O)N3CCC(O)(CC3)c4ccc(Cl)cc4)c2O1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 H15 compound treatment 0.259 0.00894 0.44 0.259 0.00626 0.32 0.539 0.9882 2074929 Maybridge2_000521 O=C1CC2(CCCc3ccccc32)C(=O)N1CN4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 H16 compound treatment 0.258 0.00794 0.39 0.255 0.00226 0.12 0.3586 0.8793 2074930 Maybridge2_000522 Cc1cc(CN2CCS(=O)(=O)CC2)no1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 H17 compound treatment 0.267 0.0169 0.83 0.26 0.00726 0.37 0.854 0.9344 2074931 Maybridge2_000523 CC(=O)N1CCC(CC1)C(=O)NCc2ccc(cc2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 H18 compound treatment 0.247 -0.00306 -0.15 0.251 -0.00174 -0.09 -0.1701 -0.9691 2074932 Maybridge2_000524 OC1(CCN(CC1)C(=O)c2cnc3ccccc3n2)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 H19 compound treatment 0.26 0.00994 0.49 0.265 0.0123 0.63 0.7922 0.9921 2074933 Maybridge2_000525 Fc1ccc(cc1)C2CCCN2S(=O)(=O)c3ccc(Oc4ccccc4)nc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 H20 compound treatment 0.245 -0.00506 -0.25 0.242 -0.0107 -0.55 -0.5674 -0.9353 2074934 Maybridge2_000526 Cc1cc(nn1C)C(=O)Nc2ccccc2N3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 H21 compound treatment 0.253 0.00294 0.14 0.255 0.00226 0.12 0.1844 0.9942 2074935 Maybridge2_000527 Cc1cccc(NC(=O)N2CCCC2c3cccnc3)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 H22 compound treatment 0.253 0.00294 0.14 0.254 0.00126 0.06 0.148 0.9344 2074936 Maybridge2_000528 O=C(NCc1ccsc1)C2CCCCN2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 H23 mock treatment 0.259 0.00894 0.44 0.256 0.00326 0.17 0.4298 0.9126 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 H24 mock treatment 0.246 -0.00406 -0.2 0.261 0.00826 0.43 0.1591 0.3385 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 I01 compound treatment 0.241 -0.00906 -0.45 0.244 -0.00874 -0.45 -0.6339 -1.0 2074937 Maybridge2_000529 Cc1ccc(F)cc1NC(=O)N2CCCN(CC2)c3ccc(cn3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 I02 compound treatment 0.254 0.00394 0.19 0.249 -0.00374 -0.19 8.0E-4 0.0031 2074938 Maybridge2_000530 COc1cc(/N=C(/SCc2c(C)c(C)c(C)c(C)c2C)\N3CCOCC3)c(OC)cc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 I03 compound treatment 0.257 0.00694 0.34 0.257 0.00426 0.22 0.3965 0.977 2074939 Maybridge2_000531 Clc1cccnc1N2CCOCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 I04 compound treatment 0.254 0.00394 0.19 0.256 0.00326 0.17 0.2557 0.9974 2074940 Maybridge2_000532 CN(C)C(=O)CS(=O)(=O)c1ccc(Cl)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 I05 compound treatment 0.254 0.00394 0.19 0.257 0.00426 0.22 0.2921 0.9981 2074941 Maybridge2_000533 O=C(NC1CCCCC1)C2N(Cc3ccco3)C(=O)c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 I06 compound treatment 0.268 0.0179 0.88 0.275 0.0223 1.15 1.4349 0.9917 1575317 Maybridge2_000534 O=C(Nc1ccccc1)OC2CN(C2)C(c3ccccc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 I07 compound treatment 0.266 0.0159 0.78 0.266 0.0133 0.68 1.0376 0.9976 1985907 Maybridge2_000535 CCN(CC)c1ncnc2c1sc3nc(C)cc(C)c32 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 I08 compound treatment 0.261 0.0109 0.54 0.264 0.0113 0.58 0.7907 0.9993 1203540 Maybridge2_000536 O=S(=O)(N1CCN(Cc2ccccc2)CC1)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 I09 compound treatment 0.259 0.00894 0.44 0.258 0.00526 0.27 0.5026 0.9728 2074942 Maybridge2_000537 CN1CCC(CNC(=O)Nc2csc3ccccc23)CC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 I10 compound treatment 0.262 0.0119 0.59 0.26 0.00726 0.37 0.6799 0.9761 1098492 Maybridge2_000538 Ic1ccc(NC(=O)CN2CCCCC2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 I11 compound treatment 0.259 0.00894 0.44 0.257 0.00426 0.22 0.4662 0.9482 2074943 Maybridge2_000539 O=C(CN1CCN(CC1)c2ccccc2)N3CCc4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 I12 compound treatment 0.255 0.00494 0.24 0.256 0.00326 0.17 0.2905 0.9836 2074944 Maybridge2_000540 O=c1[nH]c2ccccc2c(=O)n1CCN3CCSCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 I13 compound treatment 0.265 0.0149 0.74 0.257 0.00426 0.22 0.6752 0.8796 2074945 Maybridge2_000541 CCN(CC)c1ncc(C#N)c(N)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 I14 compound treatment 0.278 0.0279 1.38 0.279 0.0263 1.35 1.9288 1.0 1477602 Maybridge2_000542 Clc1ccc(cc1)c2csc(NC(=O)CCN3CCCC3)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 I15 compound treatment 0.277 0.0269 1.33 0.271 0.0183 0.94 1.6027 0.9858 1285881 Maybridge2_000543 C1CCN(C1)c2ncnc3sc(cc23)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 I16 compound treatment 0.256 0.00594 0.29 0.256 0.00326 0.17 0.3253 0.9652 2074946 Maybridge2_000544 CN1CSc2nc(C)cc(C)c2C1=N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 I17 compound treatment 0.289 0.0389 1.92 0.296 0.0433 2.23 2.9307 0.9972 2074947 Maybridge2_000545 CCOC(=O)c1cc(sc1NC(=O)CN2CCc3ccccc23)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 I18 compound treatment 0.259 0.00894 0.44 0.254 0.00126 0.06 0.357 0.8025 2074948 Maybridge2_000546 CN(C)C(=O)Nc1cnccc1C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 I19 compound treatment 0.278 0.0279 1.38 0.273 0.0203 1.04 1.7104 0.9907 2074949 Maybridge2_000547 Nc1c(sc2nsc(SCCN3CCOCC3)c12)C(=O)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 I20 compound treatment 0.254 0.00394 0.19 0.256 0.00326 0.17 0.2557 0.9974 2074950 Maybridge2_000548 COc1cc(c(cn1)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 I21 compound treatment 0.255 0.00494 0.24 0.261 0.00826 0.43 0.4725 0.9648 1531885 Maybridge2_000549 C1C(CN1C(c2ccccc2)c3ccccc3)Oc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 I22 compound treatment 0.265 0.0149 0.74 0.268 0.0153 0.79 1.0756 0.9995 2074951 Maybridge2_000550 COc1ccc2nccc([C@@H](O)C3CC4CCN3CC4C=C)c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 I23 mock treatment 0.257 0.00694 0.34 0.258 0.00526 0.27 0.4329 0.9934 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 I24 mock treatment 0.252 0.00194 0.1 0.259 0.00626 0.32 0.2952 0.8787 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 J01 compound treatment 0.268 0.0179 0.88 0.267 0.0143 0.73 1.1437 0.9958 1277060 Maybridge2_000551 Clc1ccc(CN2CCN(CC2)c3cccc4[nH]ccc34)cc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 J02 compound treatment 0.248 -0.00206 -0.1 0.242 -0.0107 -0.55 -0.4629 -0.8233 2074952 Maybridge2_000552 FC(F)(F)c1cccc(NC(=O)OC2CN3CCC2CC3)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 J03 compound treatment 0.275 0.0249 1.23 0.277 0.0243 1.25 1.7515 1.0 1317869 Maybridge2_000553 CN1CCN(CC1)c2c3CCc4ccccc4-c3nc5ccccc25 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 J04 compound treatment 0.253 0.00294 0.14 0.252 -7.42E-4 -0.04 0.0752 0.503 2074953 Maybridge2_000554 CN1CCN(CC1)S(=O)(=O)Cc2cccc(c2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 J05 compound treatment 0.258 0.00794 0.39 0.26 0.00726 0.37 0.5406 0.9997 2074954 Maybridge2_000555 CC1CN(CC(C)O1)c2nc(O)cc(n2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 J06 compound treatment 0.254 0.00394 0.19 0.25 -0.00274 -0.14 0.0372 0.1553 2074955 Maybridge2_000556 O=C(N1CCC(=CC1)c2ccccc2)c3ccc4OCCc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 J07 compound treatment 0.249 -0.00106 -0.05 0.255 0.00226 0.12 0.0451 0.3539 2074956 Maybridge2_000557 CC(C)CCc1c(C)nc(nc1O)N2CCCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 J08 compound treatment 0.269 0.0189 0.93 0.268 0.0153 0.79 1.2149 0.9964 2074957 Maybridge2_000558 O=S(=O)(N1CCC(=CC1)c2ccccc2)c3ccc4OCCc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 J09 compound treatment 0.268 0.0179 0.88 0.275 0.0223 1.15 1.4349 0.9917 2074958 Maybridge2_000559 Oc1ccccc1/C=N/c2ccc(cc2)N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 J10 compound treatment 0.256 0.00594 0.29 0.252 -7.42E-4 -0.04 0.1797 0.6095 2074959 Maybridge2_000560 Clc1ccc(CS(=O)(=O)N2CCCCCC2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 J11 compound treatment 0.248 -0.00206 -0.1 0.255 0.00226 0.12 0.0103 0.0667 2074960 Maybridge2_000561 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2cc(ccc2Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 J12 compound treatment 0.253 0.00294 0.14 0.257 0.00426 0.22 0.2572 0.9796 2074961 Maybridge2_000562 Fc1ccc(CN2CCCN(Cc3ccc(F)cc3)C2c4cccnc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 J13 compound treatment 0.261 0.0109 0.54 0.249 -0.00374 -0.19 0.2446 0.4277 2074962 Maybridge2_000563 Cc1ccc(N2C(=O)CC(N3CCSCC3)C2=O)c(C)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 J14 compound treatment 0.248 -0.00206 -0.1 0.249 -0.00374 -0.19 -0.2081 -0.9554 2074963 Maybridge2_000564 Fc1ccc(cc1)N2CCN(CC2)C(=O)c3cc(F)cc4COCOc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 J15 compound treatment 0.257 0.00694 0.34 0.255 0.00226 0.12 0.3237 0.8972 2074964 Maybridge2_000565 Oc1cc2OCOc2cc1C(N3CCCC3)c4ccc(cc4)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 J16 compound treatment 0.259 0.00894 0.44 0.255 0.00226 0.12 0.3934 0.8642 2074965 Maybridge2_000566 O=S1(=O)CCN(Cc2csc(n2)c3cccs3)CC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 J17 compound treatment 0.26 0.00994 0.49 0.266 0.0133 0.68 0.8286 0.9867 2074966 Maybridge2_000567 CC(=O)N1CCC(CC1)C(=O)NCc2cc3ccccc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 J18 compound treatment 0.26 0.00994 0.49 0.259 0.00626 0.32 0.5738 0.9794 2074967 Maybridge2_000568 O=C(N(Cc1ccccn1)Cc2ccccn2)c3csc(n3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 J19 compound treatment 0.261 0.0109 0.54 0.269 0.0163 0.84 0.9727 0.9773 2074968 Maybridge2_000569 Cc1c(cnn1c2ccccc2)S(=O)(=O)N3CCCC3c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 J20 compound treatment 0.247 -0.00306 -0.15 0.251 -0.00174 -0.09 -0.1701 -0.9691 2074969 Maybridge2_000570 OC(CN1CCCN(CC1)c2nc(ns2)c3ccccc3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 J21 compound treatment 0.247 -0.00306 -0.15 0.253 2.58E-4 0.01 -0.0973 -0.6424 2074970 Maybridge2_000571 FC(F)(F)c1ccccc1NC(=O)N2CCCC2c3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 J22 compound treatment 0.249 -0.00106 -0.05 0.246 -0.00674 -0.35 -0.2825 -0.8048 2074971 Maybridge2_000572 Clc1cccc(c1)N2CCN(CC2)C(=O)c3cnc4ccccc4n3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 J23 mock treatment 0.253 0.00294 0.14 0.255 0.00226 0.12 0.1844 0.9942 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 J24 mock treatment 0.248 -0.00206 -0.1 0.255 0.00226 0.12 0.0103 0.0667 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 K01 compound treatment 0.258 0.00794 0.39 0.263 0.0103 0.53 0.6498 0.989 2074972 Maybridge2_000573 CN(C)c1ccc(cc1)C(=O)Nc2ccc(Oc3c(Cl)cccc3Cl)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 K02 compound treatment 0.26 0.00994 0.49 0.264 0.0113 0.58 0.7558 0.9965 2074973 Maybridge2_000574 CC(C)c1ccc(/N=C(/SCc2c(C)c(C)c(C)c(C)c2C)\N3CCOCC3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 K03 compound treatment 0.254 0.00394 0.19 0.254 0.00126 0.06 0.1829 0.8947 2074974 Maybridge2_000575 Cc1nnsc1C(=O)N2CCC(O)(CC2)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 K04 compound treatment 0.257 0.00694 0.34 0.253 2.58E-4 0.01 0.2509 0.7341 2074975 Maybridge2_000576 Clc1ccc(cc1)S(=O)(=O)/C(=C/NN2CCCCC2)/C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 K05 compound treatment 0.259 0.00894 0.44 0.252 -7.42E-4 -0.04 0.2842 0.6433 2074976 Maybridge2_000577 Cn1cnc2n(ncc2c1=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 K06 compound treatment 0.273 0.0229 1.13 0.265 0.0123 0.63 1.245 0.9622 1199768 Maybridge2_000578 Clc1ccc(NC(=O)OC2CN(C2)C(c3ccccc3)c4ccccc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 K07 compound treatment 0.261 0.0109 0.54 0.254 0.00126 0.06 0.4266 0.7865 2074977 Maybridge2_000579 Cc1cc(C)c2c(n1)sc3c(ncnc32)N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 K08 compound treatment 0.266 0.0159 0.78 0.262 0.00926 0.48 0.892 0.9714 1679524 Maybridge2_000580 Clc1ccc(s1)S(=O)(=O)N2CCN(Cc3ccccc3)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 K09 compound treatment 0.253 0.00294 0.14 0.255 0.00226 0.12 0.1844 0.9942 2074978 Maybridge2_000581 O=C(Nc1csc2ccccc12)N3CCSCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 K10 compound treatment 0.266 0.0159 0.78 0.263 0.0103 0.53 0.9284 0.9814 1024901 Maybridge2_000582 Oc1ccc2ccccc2c1C(N3CCCCC3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 K11 compound treatment 0.252 0.00194 0.1 0.253 2.58E-4 0.01 0.0768 0.7979 2074979 Maybridge2_000583 CN1CCN(CC(=O)N2CCc3ccccc23)CC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 K12 compound treatment 0.253 0.00294 0.14 0.269 0.0163 0.84 0.6941 0.8172 1117813 Maybridge2_000584 Clc1ccc(cc1)c2nc3cc(CN4CCCCC4)ccc3o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 K13 compound treatment 0.269 0.0189 0.93 0.263 0.0103 0.53 1.0329 0.9637 2074980 Maybridge2_000585 Nc1nc(ncc1C#N)N(Cc2ccccc2)Cc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 K14 compound treatment 0.26 0.00994 0.49 0.258 0.00526 0.27 0.5374 0.961 2074981 Maybridge2_000586 Cc1cc(Br)ccc1NC(=O)CN2CCOCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 K15 compound treatment 0.248 -0.00206 -0.1 0.249 -0.00374 -0.19 -0.2081 -0.9554 1696248 Maybridge2_000587 C1CN(CCO1)c2ncnc3sc(cc23)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 K16 compound treatment 0.257 0.00694 0.34 0.251 -0.00174 -0.09 0.1781 0.5044 2074982 Maybridge2_000588 Cc1nc(C)nc(n1)N(Cc2ccccc2)Cc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 K17 compound treatment 0.272 0.0219 1.08 0.271 0.0183 0.94 1.4286 0.9976 2074983 Maybridge2_000589 CCOC(=O)c1cc(sc1NC(=O)CN2CCCCC2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 K18 compound treatment 0.252 0.00194 0.1 0.255 0.00226 0.12 0.1496 0.9951 2074984 Maybridge2_000590 CN(Cc1ccccc1Cl)C(=O)c2cnccc2C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 K19 compound treatment 0.4 0.15 7.38 0.379 0.126 6.5 9.8179 0.998 2074985 Maybridge2_000591 Nc1c(sc2nsc(SCCN3CCCC3)c12)C(=O)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 K20 compound treatment 0.277 0.0269 1.33 0.277 0.0243 1.25 1.8211 0.9995 2074986 Maybridge2_000592 CN(Cc1c(C)cc(Cl)cc1Cl)C(=O)c2cnc(Oc3ccccc3)cc2C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 K21 compound treatment 0.271 0.0209 1.03 0.272 0.0193 0.99 1.4302 0.9998 1684983 Maybridge2_000593 Fc1ccc2[nH]c3CCN(Cc4ccc(Cl)cc4Cl)Cc3c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 K22 compound treatment 0.252 0.00194 0.1 0.252 -7.42E-4 -0.04 0.0404 0.3934 1305796 Maybridge2_000594 Cc1cc(C)c(OC2CN(C2)C(c3ccccc3)c4ccccc4)c(C)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 K23 mock treatment 0.256 0.00594 0.29 0.257 0.00426 0.22 0.3617 0.9899 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 K24 mock treatment 0.253 0.00294 0.14 0.255 0.00226 0.12 0.1844 0.9942 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 L01 compound treatment 0.282 0.0319 1.57 0.278 0.0253 1.3 2.0317 0.9955 1614244 Maybridge2_000595 C(N1CCN(CC1)c2cccc3[nH]ccc23)c4ccc5ccccc5c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 L02 compound treatment 0.251 9.35E-4 0.05 0.249 -0.00374 -0.19 -0.1036 -0.5232 2074987 Maybridge2_000596 FC(F)(F)c1ccc(NC(=O)OC2CN3CCC2CC3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 L03 compound treatment 0.255 0.00494 0.24 0.255 0.00226 0.12 0.2541 0.943 1550156 Maybridge2_000597 CC1C(N(C)C(CC1(O)c2ccc(F)cc2)c3ccccc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 L04 compound treatment 0.264 0.0139 0.69 0.262 0.00926 0.48 0.8223 0.9841 2074988 Maybridge2_000598 O=S(=O)(N1CCC(=CC1)c2ccccc2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 L05 compound treatment 0.258 0.00794 0.39 0.255 0.00226 0.12 0.3586 0.8793 2074989 Maybridge2_000599 Oc1cc(nc(n1)N2CCCC2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 L06 compound treatment 0.27 0.0199 0.98 0.273 0.0203 1.04 1.4317 0.9995 2074990 Maybridge2_000600 O=C(N1CCC(=CC1)c2ccccc2)c3ccc(s3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 L07 compound treatment 0.256 0.00594 0.29 0.256 0.00326 0.17 0.3253 0.9652 2074991 Maybridge2_000601 CC(=C)Cc1c(C)nc(nc1O)N2CCCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 L08 compound treatment 0.267 0.0169 0.83 0.265 0.0123 0.63 1.036 0.9905 2074992 Maybridge2_000602 Cc1cc(c(o1)C(F)(F)F)S(=O)(=O)N2CCC(=CC2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 L09 compound treatment 0.255 0.00494 0.24 0.26 0.00726 0.37 0.4361 0.9783 2074993 Maybridge2_000603 C1CN=C(Nc2ccc(cc2)N3CCOCC3)S1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 L10 compound treatment 0.256 0.00594 0.29 0.252 -7.42E-4 -0.04 0.1797 0.6095 2074994 Maybridge2_000604 CN1CCN(CC1)S(=O)(=O)Cc2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 L11 compound treatment 0.259 0.00894 0.44 0.255 0.00226 0.12 0.3934 0.8642 1233213 Maybridge2_000605 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2ccc(F)cc2F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 L12 compound treatment 0.262 0.0119 0.59 0.263 0.0103 0.53 0.7891 0.9986 2074995 Maybridge2_000606 Fc1ccc(CN2CCCN(Cc3ccc(F)cc3)C2c4cccs4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 L13 compound treatment 0.263 0.0129 0.64 0.258 0.00526 0.27 0.6419 0.9273 2074996 Maybridge2_000607 Cc1cccc(C)c1N2C(=O)CC(N3CCSCC3)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 L14 compound treatment 0.25 -6.45E-5 0.0 0.253 2.58E-4 0.01 0.0071 0.5232 2074997 Maybridge2_000608 O=C(N1CCSCC1)c2cccc3OCCCOc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 L15 compound treatment 0.287 0.0369 1.82 0.293 0.0403 2.07 2.7518 0.9979 2074998 Maybridge2_000609 CN(C)/C=C/1\C(=O)N(C(=O)\C1=N\c2ccccc2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 L16 compound treatment 0.267 0.0169 0.83 0.255 0.00226 0.12 0.672 0.7979 2074999 Maybridge2_000610 O=S1(=O)CCN(Cc2cc3ccccc3s2)CC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 L17 compound treatment 0.268 0.0179 0.88 0.267 0.0143 0.73 1.1437 0.9958 2075000 Maybridge2_000611 CC(=O)N1CCC(CC1)C(=O)Nc2cc(C)cc(C)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 L18 compound treatment 0.26 0.00994 0.49 0.259 0.00626 0.32 0.5738 0.9794 2075001 Maybridge2_000612 O=S(=O)(NCCN1CCCC1)c2cc3ccccc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 L19 compound treatment 0.259 0.00894 0.44 0.258 0.00526 0.27 0.5026 0.9728 2075002 Maybridge2_000613 O=S(=O)(N1CCCC1c2cccnc2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 L20 compound treatment 0.256 0.00594 0.29 0.254 0.00126 0.06 0.2525 0.8433 2075003 Maybridge2_000614 OC(CN1CCC(O)(CC1)c2ccc(Cl)cc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 L21 compound treatment 0.254 0.00394 0.19 0.256 0.00326 0.17 0.2557 0.9974 2075004 Maybridge2_000615 Fc1ccccc1NC(=O)OC2CN3CCC2CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 L22 compound treatment 0.251 9.35E-4 0.05 0.25 -0.00274 -0.14 -0.0672 -0.4528 2075005 Maybridge2_000616 Clc1ccc(cc1)C(=O)C2CCN(CC2)C(=O)c3cnc4ccccc4n3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 L23 mock treatment 0.261 0.0109 0.54 0.26 0.00726 0.37 0.6451 0.984 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 L24 mock treatment 0.253 0.00294 0.14 0.257 0.00426 0.22 0.2572 0.9796 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 M01 compound treatment 0.251 9.35E-4 0.05 0.255 0.00226 0.12 0.1148 0.9179 2075006 Maybridge2_000617 O=C(OCC1CCCN2CCCCC12)/C=C/c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 M02 compound treatment 0.255 0.00494 0.24 0.253 2.58E-4 0.01 0.1813 0.7446 1386650 Maybridge2_000618 Cc1c(CN2CCSCC2)c(=O)n(c3ccccc3)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 M03 compound treatment 0.255 0.00494 0.24 0.258 0.00526 0.27 0.3633 0.9986 2075007 Maybridge2_000619 OC1(CCN(CC1)C(=O)c2cc(F)cc3COCOc23)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 M04 compound treatment 0.286 0.0359 1.77 0.286 0.0333 1.71 2.4622 0.9999 2075008 Maybridge2_000620 CCOC(=O)c1sc(SC)c2C(=O)/C(=C/N(C)C)/CCc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 M05 compound treatment 0.255 0.00494 0.24 0.248 -0.00474 -0.24 -7.0E-4 -0.0021 1333727 Maybridge2_000621 CCN(CC)c1ncnc2n(ncc12)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 M06 compound treatment 0.278 0.0279 1.38 0.267 0.0143 0.73 1.4919 0.9567 1395190 Maybridge2_000622 Clc1cc(Cl)cc(NC(=O)OC2CN(C2)C(c3ccccc3)c4ccccc4)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 M07 compound treatment 0.256 0.00594 0.29 0.252 -7.42E-4 -0.04 0.1797 0.6095 2075009 Maybridge2_000623 O=c1[nH]cc(N2CCCCCC2)c(=O)[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 M08 compound treatment 0.261 0.0109 0.54 0.26 0.00726 0.37 0.6451 0.984 2075010 Maybridge2_000624 CN1CCN(CC1)c2cc(nc3ccc(F)cc23)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 M09 compound treatment 0.254 0.00394 0.19 0.256 0.00326 0.17 0.2557 0.9974 2075011 Maybridge2_000625 Cc1cc(NC(=O)CN2CCCCC2)n(n1)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 M10 compound treatment 0.281 0.0309 1.52 0.281 0.0283 1.45 2.1061 0.9997 1150533 Maybridge2_000626 Oc1ccc2ccccc2c1C(N3CCCCC3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 M11 compound treatment 0.254 0.00394 0.19 0.255 0.00226 0.12 0.2193 0.9701 2075012 Maybridge2_000627 O=C(CN1CCOCC1)N2CCc3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 M12 compound treatment 0.267 0.0169 0.83 0.265 0.0123 0.63 1.036 0.9905 2075013 Maybridge2_000628 FC(F)(F)c1ccc(cc1)C2C3N4CCC(CC4)C3=NN2c5cc(Cl)ccc5Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 M13 compound treatment 0.261 0.0109 0.54 0.252 -7.42E-4 -0.04 0.3538 0.6553 2075014 Maybridge2_000629 CCOC(=O)N1CCc2c(C#N)c(N)sc2C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 M14 compound treatment 0.258 0.00794 0.39 0.255 0.00226 0.12 0.3586 0.8793 2075015 Maybridge2_000630 Cc1cc(Br)ccc1NC(=O)CN2CCCCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 M15 compound treatment 0.275 0.0249 1.23 0.261 0.00826 0.43 1.169 0.8995 1194772 Maybridge2_000631 Fc1ccc(Cn2cnc3sc(cc3c2=O)c4ccccc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 M16 compound treatment 0.266 0.0159 0.78 0.269 0.0163 0.84 1.1468 0.9995 2075016 Maybridge2_000632 Cc1nc(C)nc(n1)N(Cc2ccccc2Cl)Cc3ccccc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 M17 compound treatment 0.384 0.134 6.6 0.366 0.113 5.83 8.7874 0.9981 2075017 Maybridge2_000633 CC(=O)c1sc2nsc(SCCN3CCCCC3)c2c1N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 M18 compound treatment 0.256 0.00594 0.29 0.254 0.00126 0.06 0.2525 0.8433 2075018 Maybridge2_000634 COc1cc(c(cn1)C(=O)N(C)Cc2ccc(Cl)cc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 M19 compound treatment 0.262 0.0119 0.59 0.265 0.0123 0.63 0.8619 0.9994 1488100 Maybridge2_000635 CN1CCN(CC1)c2ncnc3sc(cc23)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 M20 compound treatment 0.288 0.0379 1.87 0.273 0.0203 1.04 2.0586 0.9621 2075019 Maybridge2_000636 CN(Cc1c(C)cc(Cl)cc1Cl)C(=O)c2cnc(Oc3ccc(Cl)cc3)cc2C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 M21 compound treatment 0.257 0.00694 0.34 0.257 0.00426 0.22 0.3965 0.977 1372843 Maybridge2_000637 CN(C)CCN1C(=O)c2ccccc2Sc3ccccc3S1(=O)=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 M22 compound treatment 0.265 0.0149 0.74 0.264 0.0113 0.58 0.93 0.993 2075020 Maybridge2_000638 CN(C)/C=C/C(=O)c1sc(nc1C)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 M23 mock treatment 0.255 0.00494 0.24 0.256 0.00326 0.17 0.2905 0.9836 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 M24 mock treatment 0.252 0.00194 0.1 0.254 0.00126 0.06 0.1132 0.9823 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 N01 compound treatment 0.247 -0.00306 -0.15 0.241 -0.0117 -0.6 -0.5342 -0.8573 1578630 Maybridge2_000639 Clc1cccc(Cl)c1C(=O)N2CCN(Cc3ccccc3)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 N02 compound treatment 0.254 0.00394 0.19 0.255 0.00226 0.12 0.2193 0.9701 2075021 Maybridge2_000640 O=C(NCc1cc2ccccc2s1)c3ccccc3N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 N03 compound treatment 0.256 0.00594 0.29 0.256 0.00326 0.17 0.3253 0.9652 1607897 Maybridge2_000641 CC1C(O)CC(N(C)C1c2ccccc2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 N04 compound treatment 0.306 0.0559 2.75 0.3 0.0473 2.43 3.6684 0.9981 2075022 Maybridge2_000642 O=S(=O)(N1CCC(=CC1)c2ccccc2)c3ccc4ccccc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 N05 compound treatment 0.26 0.00994 0.49 0.259 0.00626 0.32 0.5738 0.9794 2075023 Maybridge2_000643 Oc1cc(nc(n1)N2CCSCC2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 N06 compound treatment 0.258 0.00794 0.39 0.253 2.58E-4 0.01 0.2858 0.7307 2075024 Maybridge2_000644 O=C(N1CCC(=CC1)c2ccccc2)c3cc4ccccc4o3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 N07 compound treatment 0.253 0.00294 0.14 0.248 -0.00474 -0.24 -0.0704 -0.2481 2075025 Maybridge2_000645 CN(C)C(=O)Oc1cc(C)nc(n1)c2ccc(C)c(Cl)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 N08 compound treatment 0.294 0.0439 2.16 0.289 0.0363 1.87 2.85 0.9973 2075026 Maybridge2_000646 O=S(=O)(N1CCC(=CC1)c2ccccc2)c3ccc4OCCOc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 N09 compound treatment 0.254 0.00394 0.19 0.25 -0.00274 -0.14 0.0372 0.1553 2075027 Maybridge2_000647 CC(C)(C)NC(=O)N1CCOCC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 N10 compound treatment 0.281 0.0309 1.52 0.276 0.0233 1.2 1.924 0.9929 2075028 Maybridge2_000648 Clc1ccc(CS(=O)(=O)N2CCc3ccccc3C2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 N11 compound treatment 0.279 0.0289 1.43 0.269 0.0163 0.84 1.5996 0.9678 2075029 Maybridge2_000649 CN(C)c1ccc(/C=C\2/N=C(OC2=O)c3ccccc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 N12 compound treatment 0.261 0.0109 0.54 0.26 0.00726 0.37 0.6451 0.984 2075030 Maybridge2_000650 Fc1ccc(CN2CCCN(Cc3ccc(F)cc3)C2c4csnn4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 N13 compound treatment 0.271 0.0209 1.03 0.262 0.00926 0.48 1.0661 0.9385 2075031 Maybridge2_000651 Cc1ccc(cc1)N2C(=O)C(C(C2=O)c3ccccc3)N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 N14 compound treatment 0.253 0.00294 0.14 0.271 0.0183 0.94 0.7669 0.8064 2075032 Maybridge2_000652 Cc1onc(c1CN2CCS(=O)(=O)CC2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 N15 compound treatment 0.258 0.00794 0.39 0.253 2.58E-4 0.01 0.2858 0.7307 1611256 Maybridge2_000653 O=C(N1CCOCC1)c2ccc3ncsc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 N16 compound treatment 0.257 0.00694 0.34 0.254 0.00126 0.06 0.2873 0.8265 2075033 Maybridge2_000654 O=S1(=O)CCN(Cc2ccc3OCCCOc3c2)CC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 N17 compound treatment 0.259 0.00894 0.44 0.263 0.0103 0.53 0.6846 0.9959 2075034 Maybridge2_000655 CCOc1ccc(NC(=O)C2CCN(CC2)C(=O)C)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 N18 compound treatment 0.246 -0.00406 -0.2 0.254 0.00126 0.06 -0.0958 -0.4551 2075035 Maybridge2_000656 CC1(C)CCc2cc(ccc2O1)S(=O)(=O)NCCN3CCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 N19 compound treatment 0.257 0.00694 0.34 0.253 2.58E-4 0.01 0.2509 0.7341 2075036 Maybridge2_000657 Fc1ccc(cc1)S(=O)(=O)N2CCCC2c3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 N20 compound treatment 0.256 0.00594 0.29 0.25 -0.00274 -0.14 0.1069 0.3293 2075037 Maybridge2_000658 OC(CN1CCC(CC1)c2c[nH]c3ccccc23)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 N21 compound treatment 0.254 0.00394 0.19 0.254 0.00126 0.06 0.1829 0.8947 2075038 Maybridge2_000659 Fc1ccc(NC(=O)OC2CN3CCC2CC3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 N22 compound treatment 0.263 0.0129 0.64 0.257 0.00426 0.22 0.6055 0.8987 1730920 Maybridge2_000660 COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c4ccc(F)cc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 N23 mock treatment 0.258 0.00794 0.39 0.258 0.00526 0.27 0.4678 0.9839 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 N24 mock treatment 0.253 0.00294 0.14 0.255 0.00226 0.12 0.1844 0.9942 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 O01 compound treatment 0.246 -0.00406 -0.2 0.246 -0.00674 -0.35 -0.387 -0.9658 2075039 Maybridge2_000661 O=C(OCC1CCCN2CCCCC12)c3cc4ccccc4oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 O02 compound treatment 0.244 -0.00606 -0.3 0.251 -0.00174 -0.09 -0.2746 -0.8806 2075040 Maybridge2_000662 CCN/C=C(\C#N)/S(=O)(=O)c1ccc(Br)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 O03 compound treatment 0.24 -0.0101 -0.5 0.247 -0.00574 -0.3 -0.5595 -0.9695 2075041 Maybridge2_000663 Cc1onc(c1C(=O)N2CCNCC2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 O04 compound treatment 0.376 0.126 6.2 0.366 0.113 5.83 8.5088 0.9995 2075042 Maybridge2_000664 CN(C)/C=C/C(=O)c1ccc(s1)c2cc(n(C)n2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 O05 compound treatment 0.254 0.00394 0.19 0.251 -0.00174 -0.09 0.0737 0.3448 2075043 Maybridge2_000665 CCN(CC)CC(=O)Nc1cc(C)nn1c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 O06 compound treatment 0.274 0.0239 1.18 0.279 0.0263 1.35 1.7895 0.9977 1620788 Maybridge2_000666 Clc1ccc(SC2CN(C2)C(c3ccccc3)c4ccccc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 O07 compound treatment 0.276 0.0259 1.28 0.263 0.0103 0.53 1.2767 0.9236 1257903 Maybridge2_000667 Cc1ccc(cc1)S(=O)(=O)N2CCCCC2c3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 O08 compound treatment 0.256 0.00594 0.29 0.255 0.00226 0.12 0.2889 0.9183 2075044 Maybridge2_000668 CCN(CC)C(=O)c1ccc(s1)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 O09 compound treatment 0.259 0.00894 0.44 0.249 -0.00374 -0.19 0.175 0.3642 2075045 Maybridge2_000669 Fc1ccc(cc1)C2C3CCc4ccccc4C3=NN2C(=O)CN5CCCCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 O10 compound treatment 0.244 -0.00606 -0.3 0.247 -0.00574 -0.3 -0.4202 -1.0 2075046 Maybridge2_000670 COc1cc2CCN3CC(=O)Nc4ccccc4C3c2cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 O11 compound treatment 0.259 0.00894 0.44 0.255 0.00226 0.12 0.3934 0.8642 2075047 Maybridge2_000671 CN1CCN(CC1)c2nnc(c3ccccc3)c(n2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 O12 compound treatment 0.252 0.00194 0.1 0.251 -0.00174 -0.09 0.004 0.0305 1311955 Maybridge2_000672 O=C1N(C2CCN(Cc3ccccc3)CC2)C(=O)c4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 O13 compound treatment 0.262 0.0119 0.59 0.249 -0.00374 -0.19 0.2795 0.4518 2075048 Maybridge2_000673 Cc1sc(NC(=O)CN2CCOCC2)c(C#N)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 O14 compound treatment 0.247 -0.00306 -0.15 0.244 -0.00874 -0.45 -0.425 -0.8952 2075049 Maybridge2_000674 FC(F)(F)c1cc(NC(=O)CN2CCCC2)cc(c1)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 O15 compound treatment 0.311 0.0609 3.0 0.303 0.0503 2.59 3.9517 0.9973 2075050 Maybridge2_000675 O=C(Cn1cnc2sc(cc2c1=O)c3ccccc3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 O16 compound treatment 0.268 0.0179 0.88 0.265 0.0123 0.63 1.0709 0.9864 2075051 Maybridge2_000676 CN(C)C(=O)Oc1nc(cs1)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 O17 compound treatment 0.304 0.0539 2.66 0.287 0.0343 1.76 3.1255 0.9802 2075052 Maybridge2_000677 Nc1c(sc2nsc(SCCN3CCCCC3)c12)C(=O)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 O18 compound treatment 0.252 0.00194 0.1 0.249 -0.00374 -0.19 -0.0688 -0.3201 2075053 Maybridge2_000678 CCOc1cc(c(cn1)C(=O)N(C)Cc2ccc(Cl)cc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 O19 compound treatment 0.244 -0.00606 -0.3 0.247 -0.00574 -0.3 -0.4202 -1.0 1249246 Maybridge2_000679 C=CCn1cnc2sc(cc2c1=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 O20 compound treatment 0.244 -0.00606 -0.3 0.238 -0.0147 -0.76 -0.7479 -0.9169 2075054 Maybridge2_000680 COc1cccc(OC)c1CN(C)C(=O)c2cnc(SC)cc2C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 O21 compound treatment 0.272 0.0219 1.08 0.273 0.0203 1.04 1.5014 0.9998 1166834 Maybridge2_000681 C=CCN1Cc2ccc3ccccc3c2-c4c(C1)ccc5ccccc45 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 O22 compound treatment 0.324 0.0739 3.64 0.26 0.00726 0.37 2.8392 0.7756 1560070 Maybridge2_000682 C(N1CCN(CC1)c2cccc3[nH]ccc23)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 O23 mock treatment 0.254 0.00394 0.19 0.252 -7.42E-4 -0.04 0.1101 0.5571 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 O24 mock treatment 0.249 -0.00106 -0.05 0.259 0.00626 0.32 0.1907 0.5843 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 P01 compound treatment 0.238 -0.0121 -0.59 0.248 -0.00474 -0.24 -0.5928 -0.9228 1561821 Maybridge2_000683 Cc1cc(c(C)cc1Cl)S(=O)(=O)N2CCN(Cc3ccccc3)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 P02 compound treatment 0.233 -0.0171 -0.84 0.246 -0.00674 -0.35 -0.8397 -0.9235 2075055 Maybridge2_000684 O=C(NCc1cccs1)c2ccccc2N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 P03 compound treatment 0.243 -0.00706 -0.35 0.238 -0.0147 -0.76 -0.7827 -0.9375 2075056 Maybridge2_000685 Fc1cccc(NC(=O)CN2CCCCC2)c1C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 P04 compound treatment 0.239 -0.0111 -0.54 0.236 -0.0167 -0.86 -0.9948 -0.9756 2075057 Maybridge2_000686 FC(F)(F)c1cccc(c1)S(=O)(=O)N2CCC(=CC2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 P05 compound treatment 0.252 0.00194 0.1 0.245 -0.00774 -0.4 -0.2144 -0.5232 2075058 Maybridge2_000687 CCN(CC)C(=O)Oc1cc(nc(n1)c2ccc(Cl)cc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 P06 compound treatment 0.255 0.00494 0.24 0.25 -0.00274 -0.14 0.0721 0.2564 2075059 Maybridge2_000688 O=C(N1CCC(=CC1)c2ccccc2)c3ccc4occc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 P07 compound treatment 0.243 -0.00706 -0.35 0.238 -0.0147 -0.76 -0.7827 -0.9375 2075060 Maybridge2_000689 CN(C)C(=O)Oc1nc(nc(C)c1CC(=C)C)c2ccc(C)c(Cl)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 P08 compound treatment 0.257 0.00694 0.34 0.244 -0.00874 -0.45 -0.0767 -0.1357 2075061 Maybridge2_000690 O=S(=O)(N1CCC(=CC1)c2ccccc2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 P09 compound treatment 0.247 -0.00306 -0.15 0.25 -0.00274 -0.14 -0.2065 -0.9994 2075062 Maybridge2_000691 CC(=O)N1C(CSC1c2ccc(C)cc2)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 P10 compound treatment 0.238 -0.0121 -0.59 0.24 -0.0127 -0.66 -0.884 -0.9988 2075063 Maybridge2_000692 FC(F)(F)C1=NCCN(C=C1)S(=O)(=O)Cc2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 P11 compound treatment 0.282 0.0319 1.57 0.281 0.0283 1.45 2.1409 0.9992 2071191 Maybridge2_000693 CN1C/C(=C\c2ccccc2Cl)/C(=O)\C(=C\c3ccccc3Cl)\C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 P12 compound treatment 0.252 0.00194 0.1 0.249 -0.00374 -0.19 -0.0688 -0.3201 2075064 Maybridge2_000694 CC1(C)Cc2cccc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2O1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 P13 compound treatment 0.258 0.00794 0.39 0.267 0.0143 0.73 0.7954 0.9565 2075065 Maybridge2_000695 Cc1ccc(cc1)N2C(=O)C(C(C2=O)c3ccccc3)N4CCSCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 P14 compound treatment 0.242 -0.00806 -0.4 0.246 -0.00674 -0.35 -0.5263 -0.9977 2075066 Maybridge2_000696 Cc1cc(CN2CCS(=O)(=O)CC2)c(o1)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 P15 compound treatment 0.248 -0.00206 -0.1 0.245 -0.00774 -0.4 -0.3537 -0.86 2075067 Maybridge2_000697 Fc1ccc(cc1)C(=O)N2CCN=C(C=C2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 P16 compound treatment 0.256 0.00594 0.29 0.253 2.58E-4 0.01 0.2161 0.7385 2075068 Maybridge2_000698 CN1CCN(CC1)c2ccc(CN3CCS(=O)(=O)CC3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 P17 compound treatment 0.278 0.0279 1.38 0.273 0.0203 1.04 1.7104 0.9907 2075069 Maybridge2_000699 Fc1ccc(cc1)C2CCCN2S(=O)(=O)c3ccc(s3)c4ccccn4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 P18 compound treatment 0.251 9.35E-4 0.05 0.241 -0.0117 -0.6 -0.3949 -0.6513 2075070 Maybridge2_000700 Clc1ccc(cc1)S(=O)(=O)NCCN2CCCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 P19 compound treatment 0.263 0.0129 0.64 0.262 0.00926 0.48 0.7875 0.9898 2075071 Maybridge2_000701 Clc1ccc(cc1)S(=O)(=O)N2CCCC2c3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 P20 compound treatment 0.253 0.00294 0.14 0.249 -0.00374 -0.19 -0.034 -0.1411 2075072 Maybridge2_000702 Cc1cc(N2CCN(CC(O)C(F)(F)F)CC2)c3ccccc3n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 P21 compound treatment 0.251 9.35E-4 0.05 0.25 -0.00274 -0.14 -0.0672 -0.4528 2075073 Maybridge2_000703 Clc1ccccc1NC(=O)OC2CN3CCC2CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 P22 compound treatment 0.228 -0.0221 -1.09 0.253 2.58E-4 0.01 -0.759 -0.6984 1672764 Maybridge2_000704 COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c4cccc(C)n4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 P23 mock treatment 0.245 -0.00506 -0.25 0.235 -0.0177 -0.91 -0.8222 -0.8684 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1304 P24 mock treatment 0.218 -0.0321 -1.58 0.225 -0.0277 -1.43 -2.1266 -0.9987 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 A01 compound treatment 0.19 -0.0605 -2.98 0.202 -0.0466 -2.4 -3.8038 -0.9942 2125345 Peakdale2_000001 Cc1ccc(cc1)c2cnc(NCCC#N)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 A02 compound treatment 0.235 -0.0155 -0.76 0.223 -0.0256 -1.32 -1.4721 -0.9666 2125346 Peakdale2_000002 Cn1cc(cn1)c2ccccc2NC(=O)Nc3ccc(F)cc3F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 A03 compound treatment 0.24 -0.0105 -0.52 0.235 -0.0136 -0.7 -0.8611 -0.9892 2125347 Peakdale2_000003 COCCNc1ncc(cn1)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 A04 compound treatment 0.238 -0.0125 -0.62 0.241 -0.00758 -0.39 -0.7124 -0.9756 2125348 Peakdale2_000004 Fc1ccc(cc1)c2cnc(NCCC#N)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 A05 compound treatment 0.246 -0.00453 -0.22 0.243 -0.00558 -0.29 -0.361 -0.9922 2125349 Peakdale2_000005 COc1ccc(cc1)c2cnc(NCc3ccncc3)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 A06 compound treatment 0.246 -0.00453 -0.22 0.241 -0.00758 -0.39 -0.4338 -0.9649 2125350 Peakdale2_000006 Fc1ccc(cc1)c2cnc(nc2)N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 A07 compound treatment 0.257 0.00647 0.32 0.238 -0.0106 -0.54 -0.1599 -0.2534 2125351 Peakdale2_000007 COc1ccc(cc1)c2cnc(nc2)N3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 A08 compound treatment 0.261 0.0105 0.52 0.259 0.0104 0.54 0.7439 0.9998 2125352 Peakdale2_000008 Fc1ccc(cc1)c2cnc(NCc3ccco3)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 A09 compound treatment 0.257 0.00647 0.32 0.26 0.0114 0.59 0.641 0.9586 2125353 Peakdale2_000009 Cc1ccc(cc1)c2cnc(NCC=C)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 A10 compound treatment 0.24 -0.0105 -0.52 0.246 -0.00258 -0.13 -0.4607 -0.8604 2125354 Peakdale2_000010 Clc1ccc(CNc2ncc(cn2)c3ccccc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 A11 compound treatment 0.245 -0.00553 -0.27 0.243 -0.00558 -0.29 -0.3958 -0.9996 2125355 Peakdale2_000011 OC1CCN(CC1)c2ncc(cn2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 A12 compound treatment 0.281 0.0305 1.5 0.278 0.0294 1.51 2.1321 1.0 2125356 Peakdale2_000012 CCN(CC)c1cc(nc(C)n1)c2cncc(c2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 A13 compound treatment 0.245 -0.00553 -0.27 0.233 -0.0156 -0.8 -0.7598 -0.8969 2125357 Peakdale2_000013 Cc1ccc(cc1)c2cnc(nc2)N3CCc4ccccc4C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 A14 compound treatment 0.246 -0.00453 -0.22 0.247 -0.00158 -0.08 -0.2153 -0.9065 2125358 Peakdale2_000014 Cc1nc(cc(n1)c2cncc(c2)c3ccccc3)N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 A15 compound treatment 0.259 0.00847 0.42 0.25 0.00142 0.07 0.3466 0.8185 2125359 Peakdale2_000015 CC(Nc1ncc(cn1)c2ccc(Cl)cc2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 A16 compound treatment 0.27 0.0195 0.96 0.275 0.0264 1.36 1.6398 0.9854 2125360 Peakdale2_000016 CN(Cc1ccccc1)c2cc(nc(C)n2)c3cncc(c3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 A17 compound treatment 0.242 -0.00853 -0.42 0.241 -0.00758 -0.39 -0.5731 -0.9993 2125361 Peakdale2_000017 C1CCC(CC1)Nc2ncc(cn2)c3cc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 A18 compound treatment 0.265 0.0145 0.71 0.264 0.0154 0.79 1.0652 0.9986 2125362 Peakdale2_000018 CN1CCN(CC1)c2cc(nc(C)n2)c3cncc(c3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 A19 compound treatment 0.24 -0.0105 -0.52 0.242 -0.00658 -0.34 -0.6063 -0.9787 2125363 Peakdale2_000019 Cc1ccccc1C(=O)Nc2ccccc2c3cnn(C)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 A20 compound treatment 0.244 -0.00653 -0.32 0.242 -0.00658 -0.34 -0.467 -0.9997 2125364 Peakdale2_000020 Cc1nc(NCc2ccccc2)cc(n1)c3cncc(c3)c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 A21 compound treatment 0.241 -0.00953 -0.47 0.238 -0.0106 -0.54 -0.7171 -0.9973 2125365 Peakdale2_000021 Cn1cc(cn1)c2ccccc2NC(=O)Cc3cc(F)cc(F)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 A22 compound treatment 0.243 -0.00753 -0.37 0.233 -0.0156 -0.8 -0.8295 -0.9386 2125366 Peakdale2_000022 CC(Nc1cc(nc(C)n1)c2cncc(c2)c3ccc(F)cc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 A23 mock treatment 0.246 -0.00453 -0.22 0.244 -0.00458 -0.24 -0.3246 -0.9996 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 A24 mock treatment 0.221 -0.0295 -1.45 0.215 -0.0336 -1.73 -2.2509 -0.9963 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 B01 compound treatment 0.248 -0.00253 -0.12 0.254 0.00542 0.28 0.1091 0.3571 2125367 Peakdale2_000023 Cc1nc(NC2CC2)cc(n1)c3cncc(c3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 B02 compound treatment 0.257 0.00647 0.32 0.251 0.00242 0.12 0.3134 0.916 2125368 Peakdale2_000024 C1CN(CCO1)c2cc(nc(n2)c3ccccc3)c4cccnc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 B03 compound treatment 0.261 0.0105 0.52 0.259 0.0104 0.54 0.7439 0.9998 2125369 Peakdale2_000025 Cc1ccc(cc1)c2cnn(C)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 B04 compound treatment 0.305 0.0545 2.68 0.312 0.0634 3.26 4.2056 0.9952 2125370 Peakdale2_000026 CC(Nc1cc(nc(n1)c2ccccc2)c3cccnc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 B05 compound treatment 0.257 0.00647 0.32 0.253 0.00442 0.23 0.3862 0.9864 2125371 Peakdale2_000027 C(c1ccccc1)n2cc(cn2)c3ccncc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 B06 compound treatment 0.34 0.0895 4.41 0.329 0.0804 4.14 6.0434 0.9995 2125372 Peakdale2_000028 Clc1ccc(CNc2cc(nc(n2)c3cccnc3)c4cccnc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 B07 compound treatment 0.265 0.0145 0.71 0.264 0.0154 0.79 1.0652 0.9986 2125373 Peakdale2_000029 O=C(N1CCCC1)c2ccc(nc2)c3cnn(c3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 B08 compound treatment 0.31 0.0595 2.93 0.318 0.0694 3.57 4.5982 0.9951 2125374 Peakdale2_000030 Clc1ccc(CNc2cc(nc(n2)c3ccncc3)c4cccnc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 B09 compound treatment 0.266 0.0155 0.76 0.258 0.00942 0.48 0.8816 0.9762 2123860 Peakdale2_000031 CCCN1CCC(CC1)N(C2CC2)C(=O)c3ccco3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 B10 compound treatment 0.256 0.00547 0.27 0.255 0.00642 0.33 0.4241 0.9948 2125375 Peakdale2_000032 Cc1nc(NCC=C)cc(n1)c2ccncc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 B11 compound treatment 0.271 0.0205 1.01 0.27 0.0214 1.1 1.4926 0.999 2125376 Peakdale2_000033 Cc1ccc(cc1)n2cc(cn2)c3ccc(cn3)C(=O)N4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 B12 compound treatment 0.256 0.00547 0.27 0.26 0.0114 0.59 0.6062 0.9374 2125377 Peakdale2_000034 Cc1nc(NC2CCCCC2)cc(n1)c3ccncc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 B13 compound treatment 0.304 0.0535 2.63 0.287 0.0384 1.98 3.2607 0.99 2125378 Peakdale2_000035 Brc1ccc(cc1)n2cc(cn2)c3ccc(cn3)C(=O)N4CCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 B14 compound treatment 0.29 0.0395 1.94 0.283 0.0344 1.77 2.6275 0.9989 2125379 Peakdale2_000036 CN1CCN(CC1)c2cc(nc(n2)c3ccccc3)c4ccncc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 B15 compound treatment 0.28 0.0295 1.45 0.274 0.0254 1.31 1.9516 0.9987 2125380 Peakdale2_000037 OC1CCN(CC1)c2cc(nc(n2)c3cccnc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 B16 compound treatment 0.323 0.0725 3.57 0.311 0.0624 3.21 4.7961 0.9986 2125381 Peakdale2_000038 C=CCNc1cc(nc(n1)c2cccnc2)c3ccncc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 B17 compound treatment 0.29 0.0395 1.94 0.285 0.0364 1.87 2.7003 0.9998 2125382 Peakdale2_000039 CN1CCN(CC1)c2cc(nc(n2)c3ccncc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 B18 compound treatment 0.252 0.00147 0.07 0.251 0.00242 0.12 0.1392 0.9666 2124445 Peakdale2_000040 FC(F)(F)c1cccc(c1)S(=O)(=O)N2CCN(Cc3cccc(Cl)n3)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 B19 compound treatment 0.264 0.0135 0.66 0.262 0.0134 0.69 0.9576 0.9998 2124194 Peakdale2_000041 Cc1ccc(cc1)S(=O)(=O)N(C2CC2)C3CCN(Cc4ccccc4)CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 B20 compound treatment 0.255 0.00447 0.22 0.256 0.00742 0.38 0.4257 0.9657 2125383 Peakdale2_000042 Cc1nc(cc(n1)c2ccc(F)cc2)N3CCC4(CC3)OCCO4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 B21 compound treatment 0.259 0.00847 0.42 0.257 0.00842 0.43 0.6014 0.9998 2125384 Peakdale2_000043 Cc1nc(NCc2ccccc2)cc(n1)c3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 B22 compound treatment 0.258 0.00747 0.37 0.254 0.00542 0.28 0.4574 0.9907 2125385 Peakdale2_000044 CN1CCN(CC1)c2cc(nc(C)n2)c3ccc(F)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 B23 mock treatment 0.262 0.0115 0.56 0.254 0.00542 0.28 0.5967 0.9471 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 B24 mock treatment 0.251 4.69E-4 0.02 0.246 -0.00258 -0.13 -0.0776 -0.5756 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 C01 compound treatment 0.235 -0.0155 -0.76 0.227 -0.0216 -1.11 -1.3265 -0.9834 2125386 Peakdale2_000045 Clc1ccc(cc1)c2cnc(NCCC#N)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 C02 compound treatment 0.24 -0.0105 -0.52 0.243 -0.00558 -0.29 -0.5699 -0.9612 2125387 Peakdale2_000046 CCNC(=O)Nc1ccccc1c2cnn(C)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 C03 compound treatment 0.33 0.0795 3.91 0.317 0.0684 3.52 5.2583 0.9986 2125388 Peakdale2_000047 COCCNc1ncc(cn1)c2cc3ccccc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 C04 compound treatment 0.29 0.0395 1.94 0.277 0.0284 1.46 2.4091 0.9902 2125389 Peakdale2_000048 Cc1cnc(CNc2ncc(cn2)c3ccc(F)cc3)cn1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 C05 compound treatment 0.247 -0.00353 -0.17 0.24 -0.00858 -0.44 -0.4353 -0.917 2125390 Peakdale2_000049 C(Nc1ncc(cn1)c2cccs2)c3ccncc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 C06 compound treatment 0.256 0.00547 0.27 0.256 0.00742 0.38 0.4605 0.9854 2125391 Peakdale2_000050 Fc1ccc(cc1)c2cnc(nc2)N3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 C07 compound treatment 0.262 0.0115 0.56 0.268 0.0194 1.0 1.1063 0.9635 2125392 Peakdale2_000051 Clc1ccc(cc1)c2cnc(nc2)N3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 C08 compound treatment 0.279 0.0285 1.4 0.28 0.0314 1.62 2.1352 0.9975 2125393 Peakdale2_000052 C(Nc1ncc(cn1)c2ccccc2)c3ccco3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 C09 compound treatment 0.266 0.0155 0.76 0.268 0.0194 1.0 1.2456 0.991 2125394 Peakdale2_000053 COc1ccc(cc1)c2cnc(NCC=C)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 C10 compound treatment 0.266 0.0155 0.76 0.264 0.0154 0.79 1.1 0.9998 2125395 Peakdale2_000054 Fc1ccc(cc1)c2cnc(NC3CCCCC3)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 C11 compound treatment 0.283 0.0325 1.6 0.293 0.0444 2.29 2.7478 0.9847 2125396 Peakdale2_000055 Cc1ccc(cc1)c2cnc(NCc3ccccc3)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 C12 compound treatment 0.265 0.0145 0.71 0.269 0.0204 1.05 1.2472 0.9821 2125397 Peakdale2_000056 CCN(CC)c1cc(nc(C)n1)c2cncc(c2)c3ccc(F)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 C13 compound treatment 0.277 0.0265 1.3 0.267 0.0184 0.95 1.5923 0.9878 2125398 Peakdale2_000057 COc1ccc(cc1)c2cnc(nc2)N3CCc4ccccc4C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 C14 compound treatment 0.284 0.0335 1.65 0.291 0.0424 2.18 2.7098 0.9904 2125399 Peakdale2_000058 Cc1nc(cc(n1)c2cncc(c2)c3ccc(F)cc3)N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 C15 compound treatment 0.247 -0.00353 -0.17 0.249 4.19E-4 0.02 -0.1077 -0.6146 2125400 Peakdale2_000059 CC(Nc1ncc(cn1)c2cccs2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 C16 compound treatment 0.285 0.0345 1.7 0.289 0.0404 2.08 2.6718 0.9949 2125401 Peakdale2_000060 CN(Cc1ccccc1)c2cc(nc(C)n2)c3cncc(c3)c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 C17 compound treatment 0.278 0.0275 1.35 0.275 0.0264 1.36 1.9184 1.0 2125402 Peakdale2_000061 Cc1ccc(cc1)c2cnc(NC3CC3)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 C18 compound treatment 0.295 0.0445 2.19 0.287 0.0384 1.98 2.9473 0.9987 2125403 Peakdale2_000062 CN1CCN(CC1)c2cc(nc(C)n2)c3cncc(c3)c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 C19 compound treatment 0.247 -0.00353 -0.17 0.247 -0.00158 -0.08 -0.1805 -0.9401 2125404 Peakdale2_000063 Cn1cc(cn1)c2ccccc2NC(=O)c3ccc(Cl)cc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 C20 compound treatment 0.297 0.0465 2.29 0.303 0.0544 2.8 3.5994 0.995 2125405 Peakdale2_000064 Cc1ccc(cc1)c2cncc(c2)c3cc(NCc4ccco4)nc(C)n3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 C21 compound treatment 0.242 -0.00853 -0.42 0.245 -0.00358 -0.18 -0.4275 -0.9316 2125406 Peakdale2_000065 CC(C)CC(=O)Nc1ccccc1c2cnn(C)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 C22 compound treatment 0.255 0.00447 0.22 0.25 0.00142 0.07 0.2073 0.8939 2125407 Peakdale2_000066 Cc1ccc(cc1)c2cncc(c2)c3cc(NCc4ccc(Cl)cc4)nc(C)n3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 C23 mock treatment 0.244 -0.00653 -0.32 0.244 -0.00458 -0.24 -0.3942 -0.9883 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 C24 mock treatment 0.241 -0.00953 -0.47 0.23 -0.0186 -0.96 -1.0083 -0.9463 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 D01 compound treatment 0.261 0.0105 0.52 0.26 0.0114 0.59 0.7803 0.9979 2125408 Peakdale2_000067 Cc1nc(NC2CC2)cc(n1)c3cncc(c3)c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 D02 compound treatment 0.246 -0.00453 -0.22 0.247 -0.00158 -0.08 -0.2153 -0.9065 2125409 Peakdale2_000068 C1CCN(CC1)c2cc(nc(n2)c3ccccc3)c4cccnc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 D03 compound treatment 0.255 0.00447 0.22 0.256 0.00742 0.38 0.4257 0.9657 2125410 Peakdale2_000069 Cc1ccc(cc1)c2cnn(CCO)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 D04 compound treatment 0.277 0.0265 1.3 0.275 0.0264 1.36 1.8836 0.9998 2125411 Peakdale2_000070 Clc1ccc(CNc2cc(nc(n2)c3ccccc3)c4cccnc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 D05 compound treatment 0.255 0.00447 0.22 0.25 0.00142 0.07 0.2073 0.8939 2123519 Peakdale2_000071 COc1cccc(OC)c1CN2CCC(CC2)N(C)C(=O)c3cccc(c3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 D06 compound treatment 0.279 0.0285 1.4 0.279 0.0304 1.57 2.0988 0.9985 2125412 Peakdale2_000072 C1CC1Nc2cc(nc(n2)c3cccnc3)c4cccnc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 D07 compound treatment 0.3 0.0495 2.44 0.289 0.0404 2.08 3.1942 0.9969 2125413 Peakdale2_000073 O=C(NCc1ccccc1)c2ccc(nc2)c3cnn(c3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 D08 compound treatment 0.302 0.0515 2.53 0.304 0.0554 2.85 3.8099 0.9983 2125414 Peakdale2_000074 C1CC1Nc2cc(nc(n2)c3ccncc3)c4cccnc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 D09 compound treatment 0.274 0.0235 1.16 0.27 0.0214 1.1 1.5971 0.9997 2125415 Peakdale2_000075 Clc1ccc(CNC(=O)c2ccc(nc2)c3cnn(c3)c4ccc(Cl)cc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 D10 compound treatment 0.252 0.00147 0.07 0.251 0.00242 0.12 0.1392 0.9666 2125416 Peakdale2_000076 CN1CCN(CC1)c2cc(nc(C)n2)c3ccncc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 D11 compound treatment 0.264 0.0135 0.66 0.258 0.00942 0.48 0.812 0.9881 2125417 Peakdale2_000077 Cc1ccc(cc1)n2cc(cn2)c3ccc(cn3)C(=O)N4CCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 D12 compound treatment 0.253 0.00247 0.12 0.252 0.00342 0.18 0.2105 0.9837 2125418 Peakdale2_000078 Cc1nc(NC2CC2)cc(n1)c3ccncc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 D13 compound treatment 0.274 0.0235 1.16 0.27 0.0214 1.1 1.5971 0.9997 2125419 Peakdale2_000079 CC(C)c1ccc(cc1)n2cc(cn2)c3ccc(cn3)C(=O)N4CCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 D14 compound treatment 0.31 0.0595 2.93 0.31 0.0614 3.16 4.3069 0.9993 2125420 Peakdale2_000080 C(Nc1cc(nc(n1)c2ccccc2)c3ccncc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 D15 compound treatment 0.285 0.0345 1.7 0.272 0.0234 1.21 2.053 0.9859 2125421 Peakdale2_000081 C(Nc1cc(nc(n1)c2cccnc2)c3ccccc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 D16 compound treatment 0.359 0.108 5.34 0.35 0.101 5.22 7.4696 0.9999 2125422 Peakdale2_000082 C(Nc1cc(nc(n1)c2cccnc2)c3ccncc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 D17 compound treatment 0.325 0.0745 3.67 0.34 0.0914 4.71 5.9214 0.9924 2125423 Peakdale2_000083 OC1CCN(CC1)c2cc(nc(n2)c3ccncc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 D18 compound treatment 0.269 0.0185 0.91 0.269 0.0204 1.05 1.3865 0.9974 2125424 Peakdale2_000084 CC(Nc1cc(nc(n1)c2ccncc2)c3ccncc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 D19 compound treatment 0.25 -5.31E-4 -0.03 0.246 -0.00258 -0.13 -0.1124 -0.8304 2125425 Peakdale2_000085 Cc1nc(cc(n1)c2cccnc2)N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 D20 compound treatment 0.251 4.69E-4 0.02 0.25 0.00142 0.07 0.068 0.8873 2125426 Peakdale2_000086 CCN(CC)c1cc(nc(C)n1)c2ccc(F)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 D21 compound treatment 0.25 -5.31E-4 -0.03 0.253 0.00442 0.23 0.1424 0.6217 2125427 Peakdale2_000087 Cc1nc(NCc2ccco2)cc(n1)c3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 D22 compound treatment 0.256 0.00547 0.27 0.251 0.00242 0.12 0.2785 0.9386 2125428 Peakdale2_000088 Cc1nc(cc(n1)c2ccc(F)cc2)N3CCC(O)CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 D23 mock treatment 0.252 0.00147 0.07 0.253 0.00442 0.23 0.212 0.8881 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 D24 mock treatment 0.247 -0.00353 -0.17 0.248 -5.81E-4 -0.03 -0.1441 -0.8167 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 E01 compound treatment 0.251 4.69E-4 0.02 0.249 4.19E-4 0.02 0.0316 0.9994 2125429 Peakdale2_000089 Cc1ccc(cc1)c2cnc(NCc3cnc(C)cn3)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 E02 compound treatment 0.279 0.0285 1.4 0.276 0.0274 1.41 1.9896 1.0 2125430 Peakdale2_000090 Cc1nc(cc(n1)c2cncc(Br)c2)N3CCc4ccccc4C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 E03 compound treatment 0.282 0.0315 1.55 0.283 0.0344 1.77 2.3489 0.9978 2125431 Peakdale2_000091 Cc1ccc(cc1)c2cnc(nc2)N3CCC4(CC3)OCCO4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 E04 compound treatment 0.252 0.00147 0.07 0.252 0.00342 0.18 0.1756 0.9228 2125432 Peakdale2_000092 Cc1cnc(CNc2ncc(cn2)c3ccccc3)cn1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 E05 compound treatment 0.278 0.0275 1.35 0.274 0.0254 1.31 1.882 0.9999 2125433 Peakdale2_000093 Cc1ccc(cc1)c2cnc(nc2)N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 E06 compound treatment 0.26 0.00947 0.47 0.249 4.19E-4 0.02 0.345 0.739 2125434 Peakdale2_000094 CN(Cc1ccccc1)c2ncc(cn2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 E07 compound treatment 0.296 0.0455 2.24 0.283 0.0344 1.77 2.8365 0.9933 2125435 Peakdale2_000095 C1CCN(CC1)c2ncc(cn2)c3cc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 E08 compound treatment 0.286 0.0355 1.75 0.283 0.0344 1.77 2.4882 1.0 2125436 Peakdale2_000096 Fc1ccc(cc1)c2cnc(nc2)N3CCc4ccccc4C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 E09 compound treatment 0.309 0.0585 2.88 0.309 0.0604 3.11 4.2357 0.9993 2125437 Peakdale2_000097 Clc1ccc(cc1)c2cnc(NCC=C)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 E10 compound treatment 0.269 0.0185 0.91 0.27 0.0214 1.1 1.4229 0.9954 2125438 Peakdale2_000098 C1CCC(CC1)Nc2ncc(cn2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 E11 compound treatment 0.282 0.0315 1.55 0.289 0.0404 2.08 2.5673 0.9895 2125439 Peakdale2_000099 COc1ccc(cc1)c2cnc(NCc3ccccc3)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 E12 compound treatment 0.418 0.167 8.25 0.394 0.145 7.49 11.126 0.9988 2125440 Peakdale2_000100 Cc1ccc(cc1)c2cncc(c2)c3cc(NCc4ccncc4)nc(C)n3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 E13 compound treatment 0.256 0.00547 0.27 0.257 0.00842 0.43 0.4969 0.9738 2122582 Peakdale2_000101 COc1cccc(CCN2CCCC2)c1NC(=O)c3c(Cl)cccc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 E14 compound treatment 0.296 0.0455 2.24 0.297 0.0484 2.49 3.3461 0.9986 2125441 Peakdale2_000102 Cc1ccc(cc1)c2cncc(c2)c3cc(nc(C)n3)N4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 E15 compound treatment 0.28 0.0295 1.45 0.284 0.0354 1.82 2.3157 0.9936 2125442 Peakdale2_000103 COc1ccc(cc1)c2cnc(NCc3ccc(Cl)cc3)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 E16 compound treatment 0.301 0.0505 2.49 0.305 0.0564 2.9 3.8115 0.997 2125443 Peakdale2_000104 Cc1ccc(cc1)c2cncc(c2)c3cc(NCC=C)nc(C)n3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 E17 compound treatment 0.261 0.0105 0.52 0.264 0.0154 0.79 0.9259 0.9782 2125444 Peakdale2_000105 COc1ccc(cc1)c2cnc(NC3CC3)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 E18 compound treatment 0.302 0.0515 2.53 0.298 0.0494 2.54 3.5915 1.0 2125445 Peakdale2_000106 Cc1nc(cc(n1)c2cncc(c2)c3cccs3)N4CCC(O)CC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 E19 compound treatment 0.254 0.00347 0.17 0.248 -5.81E-4 -0.03 0.0997 0.5747 2125446 Peakdale2_000107 Cn1cc(cn1)c2ccccc2NC(=O)c3ccco3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 E20 compound treatment 0.311 0.0605 2.98 0.312 0.0634 3.26 4.4146 0.9989 2125447 Peakdale2_000108 Cc1nc(NCc2ccco2)cc(n1)c3cncc(c3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 E21 compound treatment 0.255 0.00447 0.22 0.254 0.00542 0.28 0.3529 0.9931 2125448 Peakdale2_000109 Cn1cc(cn1)c2ccccc2NC(=O)Cc3ccccc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 E22 compound treatment 0.291 0.0405 1.99 0.288 0.0394 2.03 2.8444 1.0 2125449 Peakdale2_000110 Cc1nc(NCc2ccc(Cl)cc2)cc(n1)c3cncc(c3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 E23 mock treatment 0.251 4.69E-4 0.02 0.252 0.00342 0.18 0.1408 0.7931 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 E24 mock treatment 0.253 0.00247 0.12 0.246 -0.00258 -0.13 -0.008 -0.0442 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 F01 compound treatment 0.25 -5.31E-4 -0.03 0.252 0.00342 0.18 0.106 0.5955 2125450 Peakdale2_000111 Cc1cc(C)cc(NC(=O)N2CCNC(=O)CC2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 F02 compound treatment 0.273 0.0225 1.11 0.273 0.0244 1.26 1.6714 0.998 2125451 Peakdale2_000112 CN(Cc1ccccc1)c2cc(nc(n2)c3ccccc3)c4cccnc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 F03 compound treatment 0.259 0.00847 0.42 0.259 0.0104 0.54 0.6742 0.9923 2125452 Peakdale2_000113 C(c1ccccc1)n2cc(cn2)c3ccncn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 F04 compound treatment 0.274 0.0235 1.16 0.277 0.0284 1.46 1.8519 0.9932 2125453 Peakdale2_000114 C1CC1Nc2cc(nc(n2)c3ccccc3)c4cccnc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 F05 compound treatment 0.269 0.0185 0.91 0.263 0.0144 0.74 1.1681 0.9949 2125454 Peakdale2_000115 CN(Cc1ccccc1)C(=O)c2ccc(nc2)c3cnn(C)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 F06 compound treatment 0.309 0.0585 2.88 0.32 0.0714 3.68 4.6361 0.9927 2125455 Peakdale2_000116 CCN(CC)c1cc(nc(n1)c2ccncc2)c3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 F07 compound treatment 0.308 0.0575 2.83 0.313 0.0644 3.32 4.3465 0.9969 2125456 Peakdale2_000117 Clc1ccc(CNC(=O)c2ccc(nc2)c3cnn(c3)c4ccccc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 F08 compound treatment 0.268 0.0175 0.86 0.259 0.0104 0.54 0.9877 0.9741 2125457 Peakdale2_000118 Cc1nc(NCCC#N)cc(n1)c2ccncc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 F09 compound treatment 0.294 0.0435 2.14 0.308 0.0594 3.06 3.6769 0.9848 2125458 Peakdale2_000119 Clc1ccc(cc1)n2cc(cn2)c3ccc(cn3)C(=O)NC4CC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 F10 compound treatment 0.262 0.0115 0.56 0.255 0.00642 0.33 0.6331 0.9674 2125459 Peakdale2_000120 Cc1nc(NCc2ccccc2)cc(n1)c3ccncc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 F11 compound treatment 0.269 0.0185 0.91 0.268 0.0194 1.0 1.3501 0.9989 2125460 Peakdale2_000121 Cc1ccc(cc1)n2cc(cn2)c3ccc(cn3)C(=O)NCC=C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 F12 compound treatment 0.272 0.0215 1.06 0.279 0.0304 1.57 1.855 0.9817 2125461 Peakdale2_000122 Cc1nc(NCCc2c[nH]c3ccccc23)cc(n1)c4ccncc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 F13 compound treatment 0.287 0.0365 1.8 0.273 0.0244 1.26 2.159 0.9848 2125462 Peakdale2_000123 CCN(CC)c1cc(nc(n1)c2cccnc2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 F14 compound treatment 0.295 0.0445 2.19 0.287 0.0384 1.98 2.9473 0.9987 2125463 Peakdale2_000124 CC(Nc1cc(nc(n1)c2ccccc2)c3ccncc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 F15 compound treatment 0.265 0.0145 0.71 0.259 0.0104 0.54 0.8832 0.9902 2125464 Peakdale2_000125 C1CC1Nc2cc(nc(n2)c3cccnc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 F16 compound treatment 0.342 0.0915 4.51 0.331 0.0824 4.24 6.1858 0.9996 2125465 Peakdale2_000126 CC(Nc1cc(nc(n1)c2cccnc2)c3ccncc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 F17 compound treatment 0.32 0.0695 3.42 0.307 0.0584 3.01 4.546 0.9979 2125466 Peakdale2_000127 C(Nc1cc(nc(n1)c2ccncc2)c3ccccc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 F18 compound treatment 0.294 0.0435 2.14 0.293 0.0444 2.29 3.1309 0.9995 2125467 Peakdale2_000128 Clc1ccc(CNc2cc(nc(n2)c3ccncc3)c4ccncc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 F19 compound treatment 0.261 0.0105 0.52 0.249 4.19E-4 0.02 0.3799 0.7361 2125468 Peakdale2_000129 Cc1nc(cc(n1)c2cccnc2)N3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 F20 compound treatment 0.249 -0.00153 -0.08 0.253 0.00442 0.23 0.1075 0.4487 2125469 Peakdale2_000130 Cc1nc(NCc2ccncc2)cc(n1)c3ccc(F)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 F21 compound treatment 0.276 0.0255 1.25 0.277 0.0284 1.46 1.9215 0.9971 2125470 Peakdale2_000131 Cc1nc(cc(n1)c2cccnc2)N3CCc4ccccc4C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 F22 compound treatment 0.268 0.0175 0.86 0.266 0.0174 0.9 1.2425 0.9998 2125471 Peakdale2_000132 Cc1nc(NCc2ccccc2)cc(n1)c3ccc(F)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 F23 mock treatment 0.262 0.0115 0.56 0.255 0.00642 0.33 0.6331 0.9674 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 F24 mock treatment 0.251 4.69E-4 0.02 0.254 0.00542 0.28 0.2136 0.763 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 G01 compound treatment 0.244 -0.00653 -0.32 0.243 -0.00558 -0.29 -0.4306 -0.9984 2125472 Peakdale2_000133 Cc1cnc(CNc2ncc(cn2)c3ccc(Cl)cc3)cn1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 G02 compound treatment 0.265 0.0145 0.71 0.267 0.0184 0.95 1.1744 0.9901 2125473 Peakdale2_000134 CC(Nc1cc(nc(C)n1)c2cncc(Br)c2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 G03 compound treatment 0.277 0.0265 1.3 0.274 0.0254 1.31 1.8472 1.0 2125474 Peakdale2_000135 Clc1ccc(cc1)c2cnc(nc2)N3CCC4(CC3)OCCO4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 G04 compound treatment 0.26 0.00947 0.47 0.252 0.00342 0.18 0.4542 0.9113 2125475 Peakdale2_000136 COCCNc1ncc(cn1)c2ccc(F)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 G05 compound treatment 0.262 0.0115 0.56 0.26 0.0114 0.59 0.8151 0.9998 2125476 Peakdale2_000137 COc1ccc(cc1)c2cnc(nc2)N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 G06 compound treatment 0.252 0.00147 0.07 0.259 0.0104 0.54 0.4304 0.7953 2125477 Peakdale2_000138 OCCCNc1ncc(cn1)c2ccc(F)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 G07 compound treatment 0.256 0.00547 0.27 0.254 0.00542 0.28 0.3877 0.9998 2125478 Peakdale2_000139 CN(Cc1ccccc1)c2ncc(cn2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 G08 compound treatment 0.285 0.0345 1.7 0.26 0.0114 0.59 1.6161 0.8996 2125479 Peakdale2_000140 Fc1ccc(cc1)c2cnc(NCCc3ccccc3)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 G09 compound treatment 0.288 0.0375 1.85 0.294 0.0454 2.34 2.9583 0.9931 2125480 Peakdale2_000141 C=CCNc1ncc(cn1)c2cc3ccccc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 G10 compound treatment 0.256 0.00547 0.27 0.261 0.0124 0.64 0.6426 0.9262 2125481 Peakdale2_000142 Fc1ccc(cc1)c2cnc(NC3CC3)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 G11 compound treatment 0.282 0.0315 1.55 0.275 0.0264 1.36 2.0577 0.9979 2125482 Peakdale2_000143 Clc1ccc(cc1)c2cnc(NCc3ccccc3)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 G12 compound treatment 0.419 0.168 8.3 0.407 0.158 8.16 11.6341 1.0 2125483 Peakdale2_000144 Cc1nc(NCc2ccncc2)cc(n1)c3cncc(c3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 G13 compound treatment 0.26 0.00947 0.47 0.259 0.0104 0.54 0.7091 0.9976 2125484 Peakdale2_000145 Cc1ccc(cc1)c2cnc(NCCc3ccccc3)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 G14 compound treatment 0.245 -0.00553 -0.27 0.252 0.00342 0.18 -0.0682 -0.2102 2123560 Peakdale2_000146 CC(=O)N1CCc2ccc(cc12)N(C3CCN(Cc4ccccc4)CC3)C(=O)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 G15 compound treatment 0.259 0.00847 0.42 0.258 0.00942 0.48 0.6378 0.9972 2125485 Peakdale2_000147 Clc1ccc(CNc2ncc(cn2)c3ccc(Cl)cc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 G16 compound treatment 0.307 0.0565 2.78 0.306 0.0574 2.96 4.0568 0.9995 2125486 Peakdale2_000148 Cc1nc(NCC=C)cc(n1)c2cncc(c2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 G17 compound treatment 0.305 0.0545 2.68 0.303 0.0544 2.8 3.878 0.9998 2125487 Peakdale2_000149 FC(F)(F)Oc1ccc(cc1)c2cnc(NC3CC3)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 G18 compound treatment 0.293 0.0425 2.09 0.281 0.0324 1.67 2.6592 0.9937 2125488 Peakdale2_000150 Cc1nc(cc(n1)c2cncc(c2)c3ccccc3)N4CCC(O)CC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 G19 compound treatment 0.255 0.00447 0.22 0.247 -0.00158 -0.08 0.0981 0.418 2125489 Peakdale2_000151 Cn1cc(cn1)c2ccccc2NC(=O)c3ccccc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 G20 compound treatment 0.304 0.0535 2.63 0.308 0.0594 3.06 4.0252 0.9972 2125490 Peakdale2_000152 Cc1nc(NCc2ccco2)cc(n1)c3cncc(c3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 G21 compound treatment 0.253 0.00247 0.12 0.248 -5.81E-4 -0.03 0.0648 0.5179 2125491 Peakdale2_000153 Cn1cc(cn1)c2ccccc2NC(=O)Cc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 G22 compound treatment 0.331 0.0805 3.96 0.315 0.0664 3.42 5.2203 0.9973 2125492 Peakdale2_000154 Cc1nc(NCc2ccc(Cl)cc2)cc(n1)c3cncc(c3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 G23 mock treatment 0.253 0.00247 0.12 0.254 0.00542 0.28 0.2833 0.9307 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 G24 mock treatment 0.248 -0.00253 -0.12 0.247 -0.00158 -0.08 -0.1457 -0.9786 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 H01 compound treatment 0.244 -0.00653 -0.32 0.241 -0.00758 -0.39 -0.5034 -0.9954 2125493 Peakdale2_000155 Cn1cc(cn1)c2cnc3ccccc3n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 H02 compound treatment 0.281 0.0305 1.5 0.277 0.0284 1.46 2.0957 0.9999 2125494 Peakdale2_000156 C=CCNc1cc(nc(n1)c2ccccc2)c3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 H03 compound treatment 0.262 0.0115 0.56 0.263 0.0144 0.74 0.9243 0.9909 2125495 Peakdale2_000157 Cn1cc(cn1)c2ccncn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 H04 compound treatment 0.307 0.0565 2.78 0.31 0.0614 3.16 4.2025 0.998 2125496 Peakdale2_000158 CCN(CC)c1cc(nc(n1)c2cccnc2)c3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 H05 compound treatment 0.264 0.0135 0.66 0.259 0.0104 0.54 0.8484 0.9944 2125497 Peakdale2_000159 Cn1cc(cn1)c2ccc(cn2)C(=O)N3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 H06 compound treatment 0.285 0.0345 1.7 0.286 0.0374 1.93 2.5626 0.998 2125498 Peakdale2_000160 C1CCN(CC1)c2cc(nc(n2)c3ccncc3)c4cccnc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 H07 compound treatment 0.284 0.0335 1.65 0.281 0.0324 1.67 2.3458 1.0 2125499 Peakdale2_000161 O=C(NC1CC1)c2ccc(nc2)c3cnn(c3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 H08 compound treatment 0.259 0.00847 0.42 0.259 0.0104 0.54 0.6742 0.9923 2125500 Peakdale2_000162 COCCNc1cc(nc(C)n1)c2ccncc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 H09 compound treatment 0.279 0.0285 1.4 0.272 0.0234 1.21 1.844 0.9972 2125501 Peakdale2_000163 CN(Cc1ccccc1)C(=O)c2ccc(nc2)c3cnn(c3)c4ccc(F)cc4F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 H10 compound treatment 0.262 0.0115 0.56 0.263 0.0144 0.74 0.9243 0.9909 2125502 Peakdale2_000164 Cc1nc(NCc2ccco2)cc(n1)c3ccncc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 H11 compound treatment 0.278 0.0275 1.35 0.277 0.0284 1.46 1.9912 0.9992 2125503 Peakdale2_000165 Cc1ccc(cc1)n2cc(cn2)c3ccc(cn3)C(=O)NCc4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 H12 compound treatment 0.28 0.0295 1.45 0.296 0.0474 2.44 2.7525 0.9692 2125504 Peakdale2_000166 CCN(CC)c1cc(nc(n1)c2ccccc2)c3ccncc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 H13 compound treatment 0.253 0.00247 0.12 0.25 0.00142 0.07 0.1376 0.9703 2125505 Peakdale2_000167 C1CN(CCO1)c2cc(nc(n2)c3cccnc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 H14 compound treatment 0.29 0.0395 1.94 0.293 0.0444 2.29 2.9916 0.9967 2125506 Peakdale2_000168 Clc1ccc(CNc2cc(nc(n2)c3ccccc3)c4ccncc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 H15 compound treatment 0.289 0.0385 1.89 0.285 0.0364 1.87 2.6655 1.0 2125507 Peakdale2_000169 CCN(CC)c1cc(nc(n1)c2ccncc2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 H16 compound treatment 0.284 0.0335 1.65 0.288 0.0394 2.03 2.6006 0.9947 2125508 Peakdale2_000170 C1CC1Nc2cc(nc(n2)c3cccnc3)c4ccncc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 H17 compound treatment 0.292 0.0415 2.04 0.279 0.0304 1.57 2.5516 0.9914 2125509 Peakdale2_000171 CC(Nc1cc(nc(n1)c2ccncc2)c3ccccc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 H18 compound treatment 0.281 0.0305 1.5 0.277 0.0284 1.46 2.0957 0.9999 2125510 Peakdale2_000172 C1CC1Nc2cc(nc(n2)c3ccncc3)c4ccncc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 H19 compound treatment 0.268 0.0175 0.86 0.254 0.00542 0.28 0.8057 0.8907 2125511 Peakdale2_000173 CN(Cc1ccccc1)c2cc(nc(C)n2)c3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 H20 compound treatment 0.261 0.0105 0.52 0.253 0.00442 0.23 0.5255 0.9324 2125512 Peakdale2_000174 Cc1nc(cc(n1)c2ccc(F)cc2)N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 H21 compound treatment 0.264 0.0135 0.66 0.261 0.0124 0.64 0.9212 0.9998 2125513 Peakdale2_000175 Cc1nc(NCCc2ccccc2)cc(n1)c3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 H22 compound treatment 0.273 0.0225 1.11 0.271 0.0224 1.15 1.5986 0.9998 2125514 Peakdale2_000176 Cc1nc(NCc2ccco2)cc(n1)c3ccc(F)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 H23 mock treatment 0.256 0.00547 0.27 0.258 0.00942 0.48 0.5333 0.9615 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 H24 mock treatment 0.259 0.00847 0.42 0.247 -0.00158 -0.08 0.2374 0.5586 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 I01 compound treatment 0.247 -0.00353 -0.17 0.242 -0.00658 -0.34 -0.3625 -0.952 2125515 Peakdale2_000177 Cc1cnc(CNc2ncc(cn2)c3cccs3)cn1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 I02 compound treatment 0.257 0.00647 0.32 0.26 0.0114 0.59 0.641 0.9586 2125516 Peakdale2_000178 Cc1nc(NCc2ccc(Cl)cc2)cc(n1)c3cncc(Br)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 I03 compound treatment 0.262 0.0115 0.56 0.26 0.0114 0.59 0.8151 0.9998 2125517 Peakdale2_000179 C1COC2(CCN(CC2)c3ncc(cn3)c4cccs4)O1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 I04 compound treatment 0.255 0.00447 0.22 0.254 0.00542 0.28 0.3529 0.9931 2125518 Peakdale2_000180 Fc1ccc(cc1)c2cnc(nc2)N3CCC4(CC3)OCCO4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 I05 compound treatment 0.285 0.0345 1.7 0.283 0.0344 1.77 2.4534 0.9998 2125519 Peakdale2_000181 Clc1ccc(cc1)c2cnc(nc2)N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 I06 compound treatment 0.262 0.0115 0.56 0.265 0.0164 0.85 0.9971 0.9808 2125520 Peakdale2_000182 Fc1ccc(cc1)c2cnc(NCC=C)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 I07 compound treatment 0.369 0.118 5.83 0.36 0.111 5.74 8.1818 1.0 2125521 Peakdale2_000183 CN(Cc1ccccc1)c2ncc(cn2)c3cc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 I08 compound treatment 0.269 0.0185 0.91 0.268 0.0194 1.0 1.3501 0.9989 2125522 Peakdale2_000184 C(Cc1ccccc1)Nc2ncc(cn2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 I09 compound treatment 0.27 0.0195 0.96 0.266 0.0174 0.9 1.3121 0.9994 2125523 Peakdale2_000185 CN1CCN(CC1)c2ncc(cn2)c3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 I10 compound treatment 0.25 -5.31E-4 -0.03 0.255 0.00642 0.33 0.2152 0.6491 2125524 Peakdale2_000186 C1CC1Nc2ncc(cn2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 I11 compound treatment 0.272 0.0215 1.06 0.277 0.0284 1.46 1.7822 0.9873 2125525 Peakdale2_000187 Cc1ccc(cc1)c2cnc(NCc3ccco3)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 I12 compound treatment 0.375 0.124 6.13 0.381 0.132 6.82 9.1553 0.9986 2125526 Peakdale2_000188 Cc1nc(NCc2ccncc2)cc(n1)c3cncc(c3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 I13 compound treatment 0.28 0.0295 1.45 0.284 0.0354 1.82 2.3157 0.9936 2125527 Peakdale2_000189 C(Cc1ccccc1)Nc2ncc(cn2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 I14 compound treatment 0.283 0.0325 1.6 0.285 0.0364 1.87 2.4565 0.9969 2125528 Peakdale2_000190 Cc1nc(cc(n1)c2cncc(c2)c3ccccc3)N4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 I15 compound treatment 0.277 0.0265 1.3 0.279 0.0304 1.57 2.0292 0.9958 2125529 Peakdale2_000191 Clc1ccc(CNc2ncc(cn2)c3cccs3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 I16 compound treatment 0.306 0.0555 2.73 0.313 0.0644 3.32 4.2768 0.9954 2125530 Peakdale2_000192 Cc1nc(NCC=C)cc(n1)c2cncc(c2)c3cc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 I17 compound treatment 0.327 0.0765 3.77 0.315 0.0664 3.42 5.081 0.9988 2125531 Peakdale2_000193 Clc1ccc(cc1)c2cnc(NC3CC3)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 I18 compound treatment 0.292 0.0415 2.04 0.283 0.0344 1.77 2.6972 0.9975 2125532 Peakdale2_000194 Cc1nc(cc(n1)c2cncc(c2)c3ccc(F)cc3)N4CCC(O)CC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 I19 compound treatment 0.245 -0.00553 -0.27 0.253 0.00442 0.23 -0.0318 -0.0895 2125533 Peakdale2_000195 Cn1cc(cn1)c2ccccc2NC(=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 I20 compound treatment 0.32 0.0695 3.42 0.325 0.0764 3.93 5.2012 0.9976 2125534 Peakdale2_000196 Cc1nc(NCc2ccco2)cc(n1)c3cncc(c3)c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 I21 compound treatment 0.274 0.0235 1.16 0.262 0.0134 0.69 1.3058 0.9697 2125535 Peakdale2_000197 Cn1cc(cn1)c2ccccc2NC(=O)C(c3ccccc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 I22 compound treatment 0.3 0.0495 2.44 0.297 0.0484 2.49 3.4854 0.9999 2125536 Peakdale2_000198 Cc1nc(NCc2ccc(Cl)cc2)cc(n1)c3cncc(c3)c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 I23 mock treatment 0.258 0.00747 0.37 0.256 0.00742 0.38 0.5302 0.9998 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 I24 mock treatment 0.255 0.00447 0.22 0.247 -0.00158 -0.08 0.0981 0.418 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 J01 compound treatment 0.247 -0.00353 -0.17 0.25 0.00142 0.07 -0.0713 -0.378 2125537 Peakdale2_000199 Cn1cc(cn1)c2ccnc3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 J02 compound treatment 0.258 0.00747 0.37 0.263 0.0144 0.74 0.785 0.9475 2125538 Peakdale2_000200 CN1CCN(CC1)c2cc(nc(n2)c3ccccc3)c4cccnc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 J03 compound treatment 0.27 0.0195 0.96 0.267 0.0184 0.95 1.3485 1.0 2125539 Peakdale2_000201 OCCn1cc(cn1)c2ccncn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 J04 compound treatment 0.321 0.0705 3.47 0.331 0.0824 4.24 5.4545 0.995 2125540 Peakdale2_000202 C1CCN(CC1)c2cc(nc(n2)c3cccnc3)c4cccnc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 J05 compound treatment 0.26 0.00947 0.47 0.257 0.00842 0.43 0.6363 0.9993 2123428 Peakdale2_000203 O=C(NCCc1ccccc1)c2ccc(CCN3CCCC3)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 J06 compound treatment 0.342 0.0915 4.51 0.357 0.108 5.58 7.1323 0.9944 2125541 Peakdale2_000204 CN(Cc1ccccc1)c2cc(nc(n2)c3ccncc3)c4cccnc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 J07 compound treatment 0.252 0.00147 0.07 0.247 -0.00158 -0.08 -0.0064 -0.0587 2123503 Peakdale2_000205 CCCN1CCC(CC1)N(C(=O)CC)c2ccc3[nH]c(cc3c2)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 J08 compound treatment 0.253 0.00247 0.12 0.254 0.00542 0.28 0.2833 0.9307 2125542 Peakdale2_000206 CCN(CC)c1cc(nc(C)n1)c2ccncc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 J09 compound treatment 0.258 0.00747 0.37 0.256 0.00742 0.38 0.5302 0.9998 2125543 Peakdale2_000207 Fc1ccc(c(F)c1)n2cc(cn2)c3ccc(cn3)C(=O)N4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 J10 compound treatment 0.263 0.0125 0.61 0.27 0.0214 1.1 1.214 0.9618 2125544 Peakdale2_000208 Cc1nc(cc(n1)c2ccncc2)N3CCc4ccccc4C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 J11 compound treatment 0.288 0.0375 1.85 0.283 0.0344 1.77 2.5579 0.9998 2125545 Peakdale2_000209 Cc1ccc(cc1)n2cc(cn2)c3ccc(cn3)C(=O)NC4CC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 J12 compound treatment 0.308 0.0575 2.83 0.305 0.0564 2.9 4.0553 0.9999 2125546 Peakdale2_000210 C1CN(CCO1)c2cc(nc(n2)c3ccccc3)c4ccncc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 J13 compound treatment 0.271 0.0205 1.01 0.267 0.0184 0.95 1.3834 0.9995 2125547 Peakdale2_000211 C1CCN(CC1)c2cc(nc(n2)c3cccnc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 J14 compound treatment 0.272 0.0215 1.06 0.266 0.0174 0.9 1.3818 0.9966 2125548 Peakdale2_000212 C1CC1Nc2cc(nc(n2)c3ccccc3)c4ccncc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 J15 compound treatment 0.303 0.0525 2.58 0.299 0.0504 2.6 3.6627 1.0 2125549 Peakdale2_000213 C1CN(CCO1)c2cc(nc(n2)c3ccncc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 J16 compound treatment 0.294 0.0435 2.14 0.295 0.0464 2.39 3.2037 0.9985 2125550 Peakdale2_000214 CCN(CC)c1cc(nc(n1)c2ccncc2)c3ccncc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 J17 compound treatment 0.291 0.0405 1.99 0.284 0.0354 1.82 2.6988 0.999 2125551 Peakdale2_000215 C1CC1Nc2cc(nc(n2)c3ccncc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 J18 compound treatment 0.26 0.00947 0.47 0.26 0.0114 0.59 0.7455 0.9934 2125552 Peakdale2_000216 CN(C)CCNc1cc(nc(C)n1)c2ccc(F)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 J19 compound treatment 0.247 -0.00353 -0.17 0.248 -5.81E-4 -0.03 -0.1441 -0.8167 2125553 Peakdale2_000217 Cc1nc(NCCCO)cc(n1)c2cccnc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 J20 compound treatment 0.261 0.0105 0.52 0.255 0.00642 0.33 0.5983 0.9769 2125554 Peakdale2_000218 Cc1nc(cc(n1)c2ccc(F)cc2)N3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 J21 compound treatment 0.252 0.00147 0.07 0.252 0.00342 0.18 0.1756 0.9228 2125555 Peakdale2_000219 CC(Nc1cc(nc(C)n1)c2cccnc2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 J22 compound treatment 0.27 0.0195 0.96 0.268 0.0194 1.0 1.3849 0.9998 2125556 Peakdale2_000220 Cc1nc(cc(n1)c2ccc(F)cc2)N3CCc4ccccc4C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 J23 mock treatment 0.255 0.00447 0.22 0.253 0.00442 0.23 0.3165 0.9999 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 J24 mock treatment 0.252 0.00147 0.07 0.248 -5.81E-4 -0.03 0.03 0.3835 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 K01 compound treatment 0.288 0.0375 1.85 0.279 0.0304 1.57 2.4123 0.9967 2125557 Peakdale2_000221 Cc1cnc(CNc2ncc(cn2)c3cc4ccccc4s3)cn1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 K02 compound treatment 0.261 0.0105 0.52 0.254 0.00542 0.28 0.5619 0.9584 2125558 Peakdale2_000222 Cc1nc(NC2CCCCC2)cc(n1)c3cncc(Br)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 K03 compound treatment 0.253 0.00247 0.12 0.253 0.00442 0.23 0.2469 0.9569 2125559 Peakdale2_000223 CCN(CC)c1ncc(cn1)c2ccc(C)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 K04 compound treatment 0.251 4.69E-4 0.02 0.252 0.00342 0.18 0.1408 0.7931 2125560 Peakdale2_000224 CCN(CC)c1ncc(cn1)c2ccc(F)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 K05 compound treatment 0.255 0.00447 0.22 0.264 0.0154 0.79 0.7169 0.8703 2125561 Peakdale2_000225 C1CN(CCO1)c2ncc(cn2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 K06 compound treatment 0.259 0.00847 0.42 0.27 0.0214 1.1 1.0747 0.9115 2125562 Peakdale2_000226 CN1CCN(CC1)c2ncc(cn2)c3ccc(F)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 K07 compound treatment 0.258 0.00747 0.37 0.264 0.0154 0.79 0.8214 0.9389 2125563 Peakdale2_000227 OCCCNc1ncc(cn1)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 K08 compound treatment 0.278 0.0275 1.35 0.272 0.0234 1.21 1.8092 0.9983 2125564 Peakdale2_000228 Fc1ccc(cc1)c2cnc(nc2)N3CCN(CC3)c4ccccn4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 K09 compound treatment 0.286 0.0355 1.75 0.284 0.0354 1.82 2.5246 0.9998 2125565 Peakdale2_000229 Cc1ccc(cc1)c2cnc(nc2)N3CCC(O)CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 K10 compound treatment 0.299 0.0485 2.39 0.312 0.0634 3.26 3.9966 0.9882 2125566 Peakdale2_000230 Fc1ccc(cc1)c2cnc(NCCc3c[nH]c4ccccc34)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 K11 compound treatment 0.271 0.0205 1.01 0.276 0.0274 1.41 1.711 0.9864 2125567 Peakdale2_000231 COc1ccc(cc1)c2cnc(NCc3ccco3)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 K12 compound treatment 0.366 0.115 5.69 0.378 0.129 6.66 8.7326 0.9969 2125568 Peakdale2_000232 Cc1nc(NCc2ccncc2)cc(n1)c3cncc(c3)c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 K13 compound treatment 0.367 0.116 5.74 0.373 0.124 6.41 8.5854 0.9985 2125569 Peakdale2_000233 C(Cc1ccccc1)Nc2ncc(cn2)c3cc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 K14 compound treatment 0.276 0.0255 1.25 0.27 0.0214 1.1 1.6667 0.9979 2125570 Peakdale2_000234 Cc1nc(cc(n1)c2cncc(c2)c3ccc(F)cc3)N4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 K15 compound treatment 0.253 0.00247 0.12 0.253 0.00442 0.23 0.2469 0.9569 2125571 Peakdale2_000235 Cc1ccc(cc1)c2cnc(NC3CCCCC3)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 K16 compound treatment 0.291 0.0405 1.99 0.29 0.0414 2.13 2.9172 0.9994 2125572 Peakdale2_000236 Cc1nc(NCC=C)cc(n1)c2cncc(c2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 K17 compound treatment 0.265 0.0145 0.71 0.261 0.0124 0.64 0.956 0.9985 2122941 Peakdale2_000237 O=C(NCCN1CCOCC1)c2ccc3cc[nH]c3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 K18 compound treatment 0.305 0.0545 2.68 0.306 0.0574 2.96 3.9872 0.9988 2125573 Peakdale2_000238 Cc1ccc(cc1)c2cncc(c2)c3cc(NCc4ccccc4)nc(C)n3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 K19 compound treatment 0.251 4.69E-4 0.02 0.254 0.00542 0.28 0.2136 0.763 2125574 Peakdale2_000239 CC(=O)Nc1ccccc1c2cnn(C)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 K20 compound treatment 0.303 0.0525 2.58 0.299 0.0504 2.6 3.6627 1.0 2125575 Peakdale2_000240 CC(Nc1cc(nc(C)n1)c2cncc(c2)c3ccc(C)cc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 K21 compound treatment 0.249 -0.00153 -0.08 0.248 -5.81E-4 -0.03 -0.0745 -0.9179 2125576 Peakdale2_000241 Cn1cc(cn1)c2ccccc2NC(=O)Nc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 K22 compound treatment 0.308 0.0575 2.83 0.312 0.0634 3.26 4.3101 0.9975 2125577 Peakdale2_000242 Cc1ccc(cc1)c2cncc(c2)c3cc(NC4CC4)nc(C)n3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 K23 mock treatment 0.256 0.00547 0.27 0.256 0.00742 0.38 0.4605 0.9854 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 K24 mock treatment 0.254 0.00347 0.17 0.251 0.00242 0.12 0.2089 0.9879 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 L01 compound treatment 0.247 -0.00353 -0.17 0.245 -0.00358 -0.18 -0.2533 -0.9996 2125578 Peakdale2_000243 OCCn1cc(cn1)c2ccnc3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 L02 compound treatment 0.264 0.0135 0.66 0.258 0.00942 0.48 0.812 0.9881 2125579 Peakdale2_000244 OC1CCN(CC1)c2cc(nc(n2)c3ccccc3)c4cccnc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 L03 compound treatment 0.278 0.0275 1.35 0.26 0.0114 0.59 1.3723 0.9303 2125580 Peakdale2_000245 Clc1ccc(cc1)c2cnn(Cc3ccccc3)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 L04 compound treatment 0.36 0.109 5.39 0.366 0.117 6.04 8.0868 0.9984 2125581 Peakdale2_000246 CN(Cc1ccccc1)c2cc(nc(n2)c3cccnc3)c4cccnc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 L05 compound treatment 0.259 0.00847 0.42 0.263 0.0144 0.74 0.8198 0.9628 2125582 Peakdale2_000247 Cn1cc(cn1)c2ccc(cn2)C(=O)NCC=C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 L06 compound treatment 0.306 0.0555 2.73 0.299 0.0504 2.6 3.7672 0.9997 2125583 Peakdale2_000248 C=CCNc1cc(nc(n1)c2ccncc2)c3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 L07 compound treatment 0.285 0.0345 1.7 0.277 0.0284 1.46 2.235 0.9973 2125584 Peakdale2_000249 CN(Cc1ccccc1)C(=O)c2ccc(nc2)c3cnn(c3)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 L08 compound treatment 0.259 0.00847 0.42 0.259 0.0104 0.54 0.6742 0.9923 2125585 Peakdale2_000250 Cc1nc(cc(n1)c2ccncc2)N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 L09 compound treatment 0.27 0.0195 0.96 0.265 0.0164 0.85 1.2757 0.998 2125586 Peakdale2_000251 Fc1ccc(c(F)c1)n2cc(cn2)c3ccc(cn3)C(=O)N4CCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 L10 compound treatment 0.257 0.00647 0.32 0.261 0.0124 0.64 0.6774 0.9483 2125587 Peakdale2_000252 Cc1nc(NCCc2ccccc2)cc(n1)c3ccncc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 L11 compound treatment 0.251 4.69E-4 0.02 0.258 0.00942 0.48 0.3592 0.7399 2125588 Peakdale2_000253 CN(Cc1ccccc1)C(=O)c2ccc(nc2)c3cnn(c3)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 L12 compound treatment 0.277 0.0265 1.3 0.274 0.0254 1.31 1.8472 1.0 2125589 Peakdale2_000254 C1CCN(CC1)c2cc(nc(n2)c3ccccc3)c4ccncc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 L13 compound treatment 0.266 0.0155 0.76 0.27 0.0214 1.1 1.3184 0.9837 2125590 Peakdale2_000255 CN(Cc1ccccc1)c2cc(nc(n2)c3cccnc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 L14 compound treatment 0.302 0.0515 2.53 0.307 0.0584 3.01 3.9191 0.9964 2125591 Peakdale2_000256 CCN(CC)c1cc(nc(n1)c2cccnc2)c3ccncc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 L15 compound treatment 0.295 0.0445 2.19 0.288 0.0394 2.03 2.9837 0.9993 2125592 Peakdale2_000257 C1CCN(CC1)c2cc(nc(n2)c3ccncc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 L16 compound treatment 0.273 0.0225 1.11 0.278 0.0294 1.51 1.8535 0.9881 2125593 Peakdale2_000258 C1CCN(CC1)c2cc(nc(n2)c3ccncc3)c4ccncc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 L17 compound treatment 0.264 0.0135 0.66 0.267 0.0184 0.95 1.1396 0.9847 2125594 Peakdale2_000259 CN(C)CCNc1cc(nc(C)n1)c2cccnc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 L18 compound treatment 0.261 0.0105 0.52 0.258 0.00942 0.48 0.7075 0.9995 2125595 Peakdale2_000260 Cc1nc(NCCC#N)cc(n1)c2ccc(F)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 L19 compound treatment 0.249 -0.00153 -0.08 0.256 0.00742 0.38 0.2168 0.5567 2125596 Peakdale2_000261 Cc1nc(NCC=C)cc(n1)c2cccnc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 L20 compound treatment 0.258 0.00747 0.37 0.26 0.0114 0.59 0.6758 0.9745 2125597 Peakdale2_000262 CN(Cc1ccccc1)c2cc(nc(C)n2)c3ccc(F)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 L21 compound treatment 0.251 4.69E-4 0.02 0.254 0.00542 0.28 0.2136 0.763 2125598 Peakdale2_000263 Cc1nc(NC2CCCCC2)cc(n1)c3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 L22 compound treatment 0.269 0.0185 0.91 0.259 0.0104 0.54 1.0225 0.9683 2125599 Peakdale2_000264 Cc1nc(NCCc2ccccc2)cc(n1)c3ccc(F)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 L23 mock treatment 0.259 0.00847 0.42 0.259 0.0104 0.54 0.6742 0.9923 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 L24 mock treatment 0.252 0.00147 0.07 0.253 0.00442 0.23 0.212 0.8881 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 M01 compound treatment 0.251 4.69E-4 0.02 0.251 0.00242 0.12 0.1044 0.8241 2125600 Peakdale2_000265 COCCNc1ncc(cn1)c2ccc(C)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 M02 compound treatment 0.291 0.0405 1.99 0.294 0.0454 2.34 3.0628 0.9968 2125601 Peakdale2_000266 Cc1nc(NCCc2c[nH]c3ccccc23)cc(n1)c4cncc(Br)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 M03 compound treatment 0.256 0.00547 0.27 0.255 0.00642 0.33 0.4241 0.9948 2125602 Peakdale2_000267 CCN(CC)c1ncc(cn1)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 M04 compound treatment 0.26 0.00947 0.47 0.261 0.0124 0.64 0.7819 0.988 2125603 Peakdale2_000268 Fc1ccc(cc1)c2cnc(NCc3ccncc3)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 M05 compound treatment 0.264 0.0135 0.66 0.274 0.0254 1.31 1.3944 0.9504 2125604 Peakdale2_000269 C1CN(CCO1)c2ncc(cn2)c3cc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 M06 compound treatment 0.276 0.0255 1.25 0.28 0.0314 1.62 2.0307 0.9921 2125605 Peakdale2_000270 Fc1ccc(cc1)c2cnc(NCc3ccccc3)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 M07 compound treatment 0.254 0.00347 0.17 0.255 0.00642 0.33 0.3545 0.9529 2125606 Peakdale2_000271 OCCCNc1ncc(cn1)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 M08 compound treatment 0.292 0.0415 2.04 0.283 0.0344 1.77 2.6972 0.9975 2125607 Peakdale2_000272 C1CN(CCN1c2ccccn2)c3ncc(cn3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 M09 compound treatment 0.253 0.00247 0.12 0.255 0.00642 0.33 0.3197 0.9078 2125608 Peakdale2_000273 COc1ccc(cc1)c2cnc(nc2)N3CCC(O)CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 M10 compound treatment 0.276 0.0255 1.25 0.271 0.0224 1.15 1.7031 0.9991 2125609 Peakdale2_000274 CCN(CC)c1cc(nc(C)n1)c2cncc(c2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 M11 compound treatment 0.279 0.0285 1.4 0.271 0.0224 1.15 1.8076 0.9953 2125610 Peakdale2_000275 Clc1ccc(cc1)c2cnc(NCc3ccco3)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 M12 compound treatment 0.289 0.0385 1.89 0.285 0.0364 1.87 2.6655 1.0 2125611 Peakdale2_000276 Cc1ccc(cc1)c2cncc(c2)c3cc(nc(C)n3)N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 M13 compound treatment 0.288 0.0375 1.85 0.3 0.0514 2.65 3.1767 0.9844 2125612 Peakdale2_000277 Cc1ccc(cc1)c2cnc(nc2)N3CCN(CC3)c4ccccn4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 M14 compound treatment 0.273 0.0225 1.11 0.28 0.0314 1.62 1.9263 0.9829 2125613 Peakdale2_000278 CN(Cc1ccccc1)c2cc(nc(C)n2)c3cncc(c3)c4ccc(C)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 M15 compound treatment 0.32 0.0695 3.42 0.317 0.0684 3.52 4.91 0.9999 2125614 Peakdale2_000279 Clc1ccc(cc1)c2cnc(NC3CCCCC3)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 M16 compound treatment 0.296 0.0455 2.24 0.292 0.0434 2.24 3.1641 1.0 2125615 Peakdale2_000280 CN1CCN(CC1)c2cc(nc(C)n2)c3cncc(c3)c4ccc(C)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 M17 compound treatment 0.282 0.0315 1.55 0.283 0.0344 1.77 2.3489 0.9978 2125616 Peakdale2_000281 Clc1ccc(cc1)c2cnc(NCCc3c[nH]c4ccccc34)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 M18 compound treatment 0.308 0.0575 2.83 0.316 0.0674 3.47 4.4557 0.9949 2125617 Peakdale2_000282 Cc1nc(NCc2ccccc2)cc(n1)c3cncc(c3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 M19 compound treatment 0.255 0.00447 0.22 0.251 0.00242 0.12 0.2437 0.9637 2125618 Peakdale2_000283 Cn1cc(cn1)c2ccccc2NC(=O)/C=C/c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 M20 compound treatment 0.325 0.0745 3.67 0.335 0.0864 4.45 5.7394 0.9954 2125619 Peakdale2_000284 CC(Nc1cc(nc(C)n1)c2cncc(c2)c3cccs3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 M21 compound treatment 0.326 0.0755 3.72 0.328 0.0794 4.09 5.5194 0.9989 2125620 Peakdale2_000285 Cn1cc(cn1)c2ccccc2NC(=O)Nc3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 M22 compound treatment 0.304 0.0535 2.63 0.299 0.0504 2.6 3.6975 1.0 2125621 Peakdale2_000286 COc1ccc(cc1)c2cncc(c2)c3cc(NC4CC4)nc(C)n3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 M23 mock treatment 0.254 0.00347 0.17 0.252 0.00342 0.18 0.2453 0.9999 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 M24 mock treatment 0.253 0.00247 0.12 0.252 0.00342 0.18 0.2105 0.9837 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 N01 compound treatment 0.247 -0.00353 -0.17 0.243 -0.00558 -0.29 -0.3261 -0.9711 2125622 Peakdale2_000287 Cn1cc(cn1)c2cnccn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 N02 compound treatment 0.26 0.00947 0.47 0.257 0.00842 0.43 0.6363 0.9993 2125623 Peakdale2_000288 C(Nc1cc(nc(n1)c2ccccc2)c3cccnc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 N03 compound treatment 0.259 0.00847 0.42 0.258 0.00942 0.48 0.6378 0.9972 2125624 Peakdale2_000289 Cn1cc(cn1)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 N04 compound treatment 0.298 0.0475 2.34 0.3 0.0514 2.65 3.525 0.9981 2125625 Peakdale2_000290 C=CCNc1cc(nc(n1)c2cccnc2)c3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 N05 compound treatment 0.259 0.00847 0.42 0.263 0.0144 0.74 0.8198 0.9628 2125626 Peakdale2_000291 Cn1cc(cn1)c2ccc(cn2)C(=O)NCc3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 N06 compound treatment 0.325 0.0745 3.67 0.336 0.0874 4.5 5.7758 0.9948 2125627 Peakdale2_000292 C(Nc1cc(nc(n1)c2ccncc2)c3cccnc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 N07 compound treatment 0.275 0.0245 1.21 0.274 0.0254 1.31 1.7775 0.9992 2125628 Peakdale2_000293 Clc1ccc(cc1)n2cc(cn2)c3ccc(cn3)C(=O)N4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 N08 compound treatment 0.256 0.00547 0.27 0.261 0.0124 0.64 0.6426 0.9262 2125629 Peakdale2_000294 Cc1nc(cc(n1)c2ccncc2)N3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 N09 compound treatment 0.323 0.0725 3.57 0.32 0.0714 3.68 5.1237 0.9999 2125630 Peakdale2_000295 Fc1ccc(c(F)c1)n2cc(cn2)c3ccc(cn3)C(=O)NCC=C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 N10 compound treatment 0.256 0.00547 0.27 0.256 0.00742 0.38 0.4605 0.9854 2125631 Peakdale2_000296 CC(Nc1cc(nc(C)n1)c2ccncc2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 N11 compound treatment 0.253 0.00247 0.12 0.252 0.00342 0.18 0.2105 0.9837 2124205 Peakdale2_000297 CCN1Cc2ccccc2-n3cccc3C1C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 N12 compound treatment 0.28 0.0295 1.45 0.274 0.0254 1.31 1.9516 0.9987 2125632 Peakdale2_000298 CN(Cc1ccccc1)c2cc(nc(n2)c3ccccc3)c4ccncc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 N13 compound treatment 0.301 0.0505 2.49 0.307 0.0584 3.01 3.8843 0.9955 2125633 Peakdale2_000299 C=CCNc1cc(nc(n1)c2cccnc2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 N14 compound treatment 0.321 0.0705 3.47 0.319 0.0704 3.63 5.0176 0.9998 2125634 Peakdale2_000300 C1CCN(CC1)c2cc(nc(n2)c3cccnc3)c4ccncc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 N15 compound treatment 0.271 0.0205 1.01 0.273 0.0244 1.26 1.6018 0.994 2125635 Peakdale2_000301 CN(Cc1ccccc1)c2cc(nc(n2)c3ccncc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 N16 compound treatment 0.346 0.0955 4.7 0.337 0.0884 4.55 6.5436 0.9999 2125636 Peakdale2_000302 CN(Cc1ccccc1)c2cc(nc(n2)c3ccncc3)c4ccncc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 N17 compound treatment 0.259 0.00847 0.42 0.254 0.00542 0.28 0.4922 0.9809 2125637 Peakdale2_000303 COCCNc1cc(nc(C)n1)c2cccnc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 N18 compound treatment 0.259 0.00847 0.42 0.252 0.00342 0.18 0.4194 0.9264 2125638 Peakdale2_000304 Cc1cnc(CNc2cc(nc(C)n2)c3ccc(F)cc3)nc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 N19 compound treatment 0.25 -5.31E-4 -0.03 0.251 0.00242 0.12 0.0696 0.5466 2125639 Peakdale2_000305 CN1CCN(CC1)c2cc(nc(C)n2)c3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 N20 compound treatment 0.252 0.00147 0.07 0.253 0.00442 0.23 0.212 0.8881 2125640 Peakdale2_000306 Cc1nc(NCCCO)cc(n1)c2ccc(F)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 N21 compound treatment 0.249 -0.00153 -0.08 0.252 0.00342 0.18 0.0711 0.3715 2125641 Peakdale2_000307 Cc1nc(NC2CC2)cc(n1)c3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 N22 compound treatment 0.272 0.0215 1.06 0.266 0.0174 0.9 1.3818 0.9966 2125642 Peakdale2_000308 Cc1nc(cc(n1)c2ccc(F)cc2)N3CCN(CC3)c4ccccn4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 N23 mock treatment 0.257 0.00647 0.32 0.254 0.00542 0.28 0.4226 0.9978 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 N24 mock treatment 0.255 0.00447 0.22 0.251 0.00242 0.12 0.2437 0.9637 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 O01 compound treatment 0.259 0.00847 0.42 0.256 0.00742 0.38 0.565 0.999 2125643 Peakdale2_000309 COCCNc1ncc(cn1)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 O02 compound treatment 0.256 0.00547 0.27 0.256 0.00742 0.38 0.4605 0.9854 2123203 Peakdale2_000310 CN1CCN(CC1)C2c3cccn3-c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 O03 compound treatment 0.254 0.00347 0.17 0.252 0.00342 0.18 0.2453 0.9999 2125644 Peakdale2_000311 Cc1ccc(cc1)c2cnc(NCc3ccncc3)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 O04 compound treatment 0.247 -0.00353 -0.17 0.245 -0.00358 -0.18 -0.2533 -0.9996 2125645 Peakdale2_000312 C(Nc1ncc(cn1)c2ccccc2)c3ccncc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 O05 compound treatment 0.254 0.00347 0.17 0.26 0.0114 0.59 0.5365 0.8763 2125646 Peakdale2_000313 Cc1ccc(cc1)c2cnc(nc2)N3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 O06 compound treatment 0.295 0.0445 2.19 0.295 0.0464 2.39 3.2385 0.9991 2125647 Peakdale2_000314 C(Nc1ncc(cn1)c2ccccc2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 O07 compound treatment 0.274 0.0235 1.16 0.27 0.0214 1.1 1.5971 0.9997 2125648 Peakdale2_000315 OCCCNc1ncc(cn1)c2cc3ccccc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 O08 compound treatment 0.292 0.0415 2.04 0.286 0.0374 1.93 2.8064 0.9996 2125649 Peakdale2_000316 Fc1ccc(cc1)c2cnc(NCc3ccc(Cl)cc3)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 O09 compound treatment 0.262 0.0115 0.56 0.268 0.0194 1.0 1.1063 0.9635 2125650 Peakdale2_000317 OC1CCN(CC1)c2ncc(cn2)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 O10 compound treatment 0.273 0.0225 1.11 0.273 0.0244 1.26 1.6714 0.998 2125651 Peakdale2_000318 CCN(CC)c1cc(nc(C)n1)c2cncc(c2)c3cc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 O11 compound treatment 0.282 0.0315 1.55 0.279 0.0304 1.57 2.2033 1.0 2125652 Peakdale2_000319 C(Nc1ncc(cn1)c2cccs2)c3ccco3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 O12 compound treatment 0.287 0.0365 1.8 0.297 0.0484 2.49 3.0327 0.9871 2125653 Peakdale2_000320 Cc1nc(cc(n1)c2cncc(c2)c3cccs3)N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 O13 compound treatment 0.253 0.00247 0.12 0.271 0.0224 1.15 0.9021 0.7773 2125654 Peakdale2_000321 CC(Nc1ncc(cn1)c2ccc(C)cc2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 O14 compound treatment 0.29 0.0395 1.94 0.291 0.0424 2.18 2.9187 0.9983 2125655 Peakdale2_000322 CN(Cc1ccccc1)c2cc(nc(C)n2)c3cncc(c3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 O15 compound treatment 0.256 0.00547 0.27 0.258 0.00942 0.48 0.5333 0.9615 2125656 Peakdale2_000323 C1CCC(CC1)Nc2ncc(cn2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 O16 compound treatment 0.292 0.0415 2.04 0.295 0.0464 2.39 3.134 0.9969 2125657 Peakdale2_000324 CN1CCN(CC1)c2cc(nc(C)n2)c3cncc(c3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 O17 compound treatment 0.247 -0.00353 -0.17 0.25 0.00142 0.07 -0.0713 -0.378 2125658 Peakdale2_000325 CCNC(=O)Nc1ccccc1c2cnn(c2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 O18 compound treatment 0.305 0.0545 2.68 0.306 0.0574 2.96 3.9872 0.9988 2125659 Peakdale2_000326 Cc1nc(NCc2ccccc2)cc(n1)c3cncc(c3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 O19 compound treatment 0.244 -0.00653 -0.32 0.245 -0.00358 -0.18 -0.3578 -0.9651 2125660 Peakdale2_000327 Cn1cc(cn1)c2ccccc2NC(=O)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 O20 compound treatment 0.303 0.0525 2.58 0.307 0.0584 3.01 3.9539 0.9971 2125661 Peakdale2_000328 CC(Nc1cc(nc(C)n1)c2cncc(c2)c3ccccc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 O21 compound treatment 0.246 -0.00453 -0.22 0.24 -0.00858 -0.44 -0.4702 -0.95 2125662 Peakdale2_000329 Cc1cc(C)cc(NC(=O)Nc2ccccc2c3cnn(C)c3)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 O22 compound treatment 0.28 0.0295 1.45 0.272 0.0234 1.21 1.8788 0.9957 2125663 Peakdale2_000330 Cc1nc(NC2CC2)cc(n1)c3cncc(c3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 O23 mock treatment 0.251 4.69E-4 0.02 0.251 0.00242 0.12 0.1044 0.8241 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 O24 mock treatment 0.247 -0.00353 -0.17 0.234 -0.0146 -0.75 -0.6538 -0.8485 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 P01 compound treatment 0.222 -0.0285 -1.41 0.216 -0.0326 -1.68 -2.1797 -0.9961 2125664 Peakdale2_000331 COc1ccc(cc1)c2cnn(C)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 P02 compound treatment 0.275 0.0245 1.21 0.28 0.0314 1.62 1.9959 0.9895 2125665 Peakdale2_000332 C(Nc1cc(nc(n1)c2ccccc2)c3cccnc3)c4ccco4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 P03 compound treatment 0.246 -0.00453 -0.22 0.255 0.00642 0.33 0.0759 0.1903 2125666 Peakdale2_000333 OCCn1cc(cn1)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 P04 compound treatment 0.3 0.0495 2.44 0.299 0.0504 2.6 3.5582 0.9995 2125667 Peakdale2_000334 C(Nc1cc(nc(n1)c2cccnc2)c3cccnc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 P05 compound treatment 0.241 -0.00953 -0.47 0.249 4.19E-4 0.02 -0.3167 -0.6739 2125668 Peakdale2_000335 Cn1cc(cn1)c2ccc(cn2)C(=O)NC3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 P06 compound treatment 0.321 0.0705 3.47 0.329 0.0804 4.14 5.3817 0.9962 2125669 Peakdale2_000336 CC(Nc1cc(nc(n1)c2ccncc2)c3cccnc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 P07 compound treatment 0.287 0.0365 1.8 0.278 0.0294 1.51 2.341 0.9964 2125670 Peakdale2_000337 Clc1ccc(cc1)n2cc(cn2)c3ccc(cn3)C(=O)NCc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 P08 compound treatment 0.25 -5.31E-4 -0.03 0.253 0.00442 0.23 0.1424 0.6217 2125671 Peakdale2_000338 Cc1nc(NCCCO)cc(n1)c2ccncc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 P09 compound treatment 0.264 0.0135 0.66 0.268 0.0194 1.0 1.176 0.9802 2125672 Peakdale2_000339 CN(Cc1ccccc1)C(=O)c2ccc(nc2)c3cnn(c3)c4ccc(C)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 P10 compound treatment 0.261 0.0105 0.52 0.254 0.00542 0.28 0.5619 0.9584 2125673 Peakdale2_000340 Cc1nc(NCc2ccc(Cl)cc2)cc(n1)c3ccncc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 P11 compound treatment 0.292 0.0415 2.04 0.288 0.0394 2.03 2.8792 1.0 2125674 Peakdale2_000341 Brc1ccc(cc1)n2cc(cn2)c3ccc(cn3)C(=O)N4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 P12 compound treatment 0.282 0.0315 1.55 0.287 0.0384 1.98 2.4945 0.9927 2125675 Peakdale2_000342 C=CCNc1cc(nc(n1)c2ccccc2)c3ccncc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 P13 compound treatment 0.271 0.0205 1.01 0.266 0.0174 0.9 1.347 0.9983 2125676 Peakdale2_000343 CN1CCN(CC1)c2cc(nc(n2)c3cccnc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 P14 compound treatment 0.356 0.105 5.19 0.352 0.103 5.32 7.4379 0.9999 2125677 Peakdale2_000344 CN(Cc1ccccc1)c2cc(nc(n2)c3cccnc3)c4ccncc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 P15 compound treatment 0.305 0.0545 2.68 0.304 0.0554 2.85 3.9144 0.9995 2125678 Peakdale2_000345 C=CCNc1cc(nc(n1)c2ccncc2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 P16 compound treatment 0.306 0.0555 2.73 0.314 0.0654 3.37 4.3132 0.9946 2125679 Peakdale2_000346 C=CCNc1cc(nc(n1)c2ccncc2)c3ccncc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 P17 compound treatment 0.253 0.00247 0.12 0.248 -5.81E-4 -0.03 0.0648 0.5179 2125680 Peakdale2_000347 CCN(CC)c1cc(nc(C)n1)c2cccnc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 P18 compound treatment 0.248 -0.00253 -0.12 0.249 4.19E-4 0.02 -0.0729 -0.5761 2125681 Peakdale2_000348 COCCNc1cc(nc(C)n1)c2ccc(F)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 P19 compound treatment 0.248 -0.00253 -0.12 0.244 -0.00458 -0.24 -0.2549 -0.9556 2125682 Peakdale2_000349 Cc1nc(cc(n1)c2cccnc2)N3CCC(O)CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 P20 compound treatment 0.253 0.00247 0.12 0.253 0.00442 0.23 0.2469 0.9569 2125683 Peakdale2_000350 Cc1nc(NCC=C)cc(n1)c2ccc(F)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 P21 compound treatment 0.263 0.0125 0.61 0.257 0.00842 0.43 0.7407 0.9854 2125684 Peakdale2_000351 CCN(CC)c1cc(nc(n1)c2ccccc2)c3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 P22 compound treatment 0.257 0.00647 0.32 0.252 0.00342 0.18 0.3498 0.9609 2125685 Peakdale2_000352 CC(Nc1cc(nc(C)n1)c2ccc(F)cc2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 P23 mock treatment 0.232 -0.0185 -0.91 0.242 -0.00658 -0.34 -0.8849 -0.909 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1305 P24 mock treatment 0.23 -0.0205 -1.01 0.209 -0.0396 -2.04 -2.1559 -0.9477 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 A01 compound treatment 0.213 -0.0393 -1.93 0.205 -0.0477 -2.45 -3.1035 -0.993 2075074 MixCom4_000001 COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c4ccccc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 A02 compound treatment 0.244 -0.00827 -0.41 0.25 -0.00269 -0.14 -0.3858 -0.8969 2079852 MixCom4_000002 Cc1nc(NC2CCCCC2)cc(n1)c3ccc(F)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 A03 compound treatment 0.257 0.00473 0.23 0.247 -0.00569 -0.29 -0.0422 -0.1129 2075075 MixCom4_000003 CN1CCN(CC1)c2ccc(CNC(=O)C3=Cc4ccccc4OC3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 A04 compound treatment 0.24 -0.0123 -0.6 0.245 -0.00769 -0.4 -0.7071 -0.9789 2079853 MixCom4_000004 Fc1ccc(cc1)c2cc(NCc3ccccc3)nc(n2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 A05 compound treatment 0.237 -0.0153 -0.75 0.235 -0.0177 -0.91 -1.1756 -0.9955 2075076 MixCom4_000005 OC(CN1CCN(CC1)c2c(Cl)cncc2Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 A06 compound treatment 0.28 0.0277 1.37 0.283 0.0303 1.56 2.0693 0.9978 2079854 MixCom4_000006 Fc1ccc(cc1)c2cc(NCc3ccccc3)nc(n2)c4cccnc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 A07 compound treatment 0.253 7.31E-4 0.04 0.245 -0.00769 -0.4 -0.2543 -0.6401 2075077 MixCom4_000007 CCc1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)N3CCN(C)CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 A08 compound treatment 0.271 0.0187 0.92 0.275 0.0223 1.15 1.4646 0.9941 2079855 MixCom4_000008 Fc1ccc(cc1)c2cc(NCC=C)nc(n2)c3ccncc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 A09 compound treatment 0.246 -0.00627 -0.31 0.25 -0.00269 -0.14 -0.3161 -0.9344 2075078 MixCom4_000009 CC(C)S(=O)(=O)NCc1ccc(cc1)N2CCN(C)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 A10 compound treatment 0.247 -0.00527 -0.26 0.246 -0.00669 -0.34 -0.4269 -0.9903 2079856 MixCom4_000010 Cc1cnc(CNc2cc(nc(C)n2)c3ccccc3F)nc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 A11 compound treatment 0.246 -0.00627 -0.31 0.247 -0.00569 -0.29 -0.4253 -0.9996 2075079 MixCom4_000011 OC(CNCc1csc(n1)c2cccs2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 A12 compound treatment 0.253 7.31E-4 0.04 0.251 -0.00169 -0.09 -0.0359 -0.3824 2079857 MixCom4_000012 Cc1nc(NCCCO)cc(n1)c2ccccc2F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 A13 compound treatment 0.249 -0.00327 -0.16 0.237 -0.0157 -0.81 -0.6849 -0.8317 2075080 MixCom4_000013 O=C(CN1C(=O)c2ccccc2C1=O)N3CCC(=CC3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 A14 compound treatment 0.257 0.00473 0.23 0.257 0.00431 0.22 0.3218 0.9997 2079858 MixCom4_000014 Cc1nc(cc(n1)c2ccccc2F)N3CCN(CC3)c4ccccn4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 A15 compound treatment 0.244 -0.00827 -0.41 0.231 -0.0217 -1.12 -1.0774 -0.9066 2075081 MixCom4_000015 COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 A16 compound treatment 0.25 -0.00227 -0.11 0.252 -6.86E-4 -0.04 -0.104 -0.8874 2079859 MixCom4_000016 Fc1ccccc1c2cc(nc(n2)c3ccccc3)N4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 A17 compound treatment 0.258 0.00573 0.28 0.25 -0.00269 -0.14 0.1018 0.3239 2075082 MixCom4_000017 Cc1cc(c(C)s1)S(=O)(=O)Nc2ccc3N4CCCC4COc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 A18 compound treatment 0.24 -0.0123 -0.6 0.242 -0.0107 -0.55 -0.8163 -0.9989 2079860 MixCom4_000018 Fc1ccccc1c2cc(nc(n2)c3cccnc3)N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 A19 compound treatment 0.241 -0.0113 -0.56 0.246 -0.00669 -0.34 -0.6359 -0.9736 2075083 MixCom4_000019 CN(C)/C=C/C(=O)c1sc(nc1C)c2c(Cl)cc(cc2Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 A20 compound treatment 0.239 -0.0133 -0.65 0.241 -0.0117 -0.6 -0.8875 -0.9991 2079861 MixCom4_000020 Fc1ccccc1c2cc(NC3CC3)nc(n2)c4cccnc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 A21 compound treatment 0.24 -0.0123 -0.6 0.245 -0.00769 -0.4 -0.7071 -0.9789 2075084 MixCom4_000021 CN(C)/C(=N\O)/c1c(Cl)cccc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 A22 compound treatment 0.241 -0.0113 -0.56 0.249 -0.00369 -0.19 -0.5267 -0.8978 2079862 MixCom4_000022 OC1CCN(CC1)c2cc(nc(n2)c3ccncc3)c4ccccc4F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 A23 mock treatment 0.228 -0.0243 -1.2 0.237 -0.0157 -0.81 -1.4162 -0.9818 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 A24 mock treatment 0.209 -0.0433 -2.13 0.231 -0.0217 -1.12 -2.2964 -0.9545 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 B01 compound treatment 0.249 -0.00327 -0.16 0.249 -0.00369 -0.19 -0.248 -0.9967 2079863 MixCom4_000023 Cc1nc(NCc2ccncc2)cc(n1)c3cccc(c3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 B02 compound treatment 0.253 7.31E-4 0.04 0.252 -6.86E-4 -0.04 5.0E-4 0.0093 2075085 MixCom4_000024 CN(C)/C=C/C(=O)c1c(C)onc1c2ccc(Cl)cc2Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 B03 compound treatment 0.279 0.0267 1.32 0.275 0.0223 1.15 1.7432 0.9977 2079864 MixCom4_000025 Cc1nc(NCc2ccco2)cc(n1)c3cccc(c3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 B04 compound treatment 0.253 7.31E-4 0.04 0.252 -6.86E-4 -0.04 5.0E-4 0.0093 2075086 MixCom4_000026 NC(=O)C1=CN(Cc2c(Cl)cccc2Cl)CCC1C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 B05 compound treatment 0.274 0.0217 1.07 0.269 0.0163 0.84 1.3507 0.9928 2079865 MixCom4_000027 FC(F)(F)Oc1ccc(cc1)c2cnc(nc2)N3CCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 B06 compound treatment 0.254 0.00173 0.09 0.254 0.00131 0.07 0.1081 0.9934 1233106 MixCom4_000028 CN1CCN(CC1)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 B07 compound treatment 0.258 0.00573 0.28 0.254 0.00131 0.07 0.2474 0.8524 2079866 MixCom4_000029 CN(C)CCNc1ccc(cc1F)S(=O)(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 B08 mock treatment 0.266 0.0137 0.68 0.266 0.0133 0.69 0.9629 1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 B09 compound treatment 0.263 0.0107 0.53 0.261 0.00831 0.43 0.6764 0.9945 2079867 MixCom4_000030 CS(=O)(=O)c1ccc(NCc2ccccc2)c(F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 B10 mock treatment 0.256 0.00373 0.18 0.258 0.00531 0.27 0.3234 0.9813 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 B11 compound treatment 0.258 0.00573 0.28 0.259 0.00631 0.33 0.4294 0.9975 2079868 MixCom4_000031 CS(=O)(=O)c1ccc(cc1)N2CCC3(CC2)OCCO3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 B12 compound treatment 0.255 0.00273 0.13 0.259 0.00631 0.33 0.3249 0.9237 2079908 MixCom4_000032 Cc1cccn2c(=O)c3CN(CCc3nc12)C(=O)c4ccc(cc4)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 B13 compound treatment 0.264 0.0117 0.58 0.255 0.00231 0.12 0.4928 0.8353 2079869 MixCom4_000033 CS(=O)(=O)c1ccc(NCCc2ccccc2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 B14 compound treatment 0.273 0.0207 1.02 0.268 0.0153 0.79 1.2794 0.9918 2079910 MixCom4_000034 Cc1cccc2nc3CCN(Cc3c(=O)n12)C(=O)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 B15 compound treatment 0.257 0.00473 0.23 0.254 0.00131 0.07 0.2126 0.8762 2079870 MixCom4_000035 CS(=O)(=O)c1ccc(N2CCN(CC2)C(=O)c3ccccc3)c(F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 B16 compound treatment 0.266 0.0137 0.68 0.263 0.0103 0.53 0.8536 0.9928 2079915 MixCom4_000036 Cc1cccc2nc3CCN(Cc3c(=O)n12)C(=O)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 B17 compound treatment 0.266 0.0137 0.68 0.265 0.0123 0.63 0.9265 0.9995 2079871 MixCom4_000037 CC(=O)N1CCCN(CC1)c2ccc(cc2F)S(=O)(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 B18 compound treatment 0.262 0.00973 0.48 0.259 0.00631 0.33 0.5687 0.9821 2079917 MixCom4_000038 CCCN1CCC(CC1)N(C(=O)c2cccs2)c3ccc4N(CCc4c3)C(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 B19 compound treatment 0.256 0.00373 0.18 0.258 0.00531 0.27 0.3234 0.9813 2079872 MixCom4_000039 O=C(C1CCCCC1)N2CCc3nc4ccccn4c(=O)c3C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 B20 compound treatment 0.254 0.00173 0.09 0.254 0.00131 0.07 0.1081 0.9934 2079919 MixCom4_000040 COc1cccc(OC)c1CN2CCC(CC2)N(C(=O)c3cccc(c3)C(F)(F)F)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 B21 compound treatment 0.247 -0.00527 -0.26 0.247 -0.00569 -0.29 -0.3905 -0.9982 2079873 MixCom4_000041 CCC(=O)N1CCc2nc3ccccn3c(=O)c2C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 B22 compound treatment 0.253 7.31E-4 0.04 0.253 3.14E-4 0.02 0.0369 0.9346 2079921 MixCom4_000042 OC(=O)C1N(Cc2ccccc2-n3cccc13)C4CCNCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 B23 mock treatment 0.254 0.00173 0.09 0.255 0.00231 0.12 0.1445 0.9865 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 B24 mock treatment 0.24 -0.0123 -0.6 0.246 -0.00669 -0.34 -0.6707 -0.9644 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 C01 compound treatment 0.236 -0.0163 -0.8 0.239 -0.0137 -0.7 -1.0648 -0.9979 2075090 MixCom4_000043 COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c4cccc(Cl)c4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 C02 compound treatment 0.245 -0.00727 -0.36 0.241 -0.0117 -0.6 -0.6786 -0.9693 2079874 MixCom4_000044 Cc1nc(NC2CC2)cc(n1)c3ccc(F)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 C03 compound treatment 0.24 -0.0123 -0.6 0.244 -0.00869 -0.45 -0.7435 -0.989 2075091 MixCom4_000045 CN1CCN(CC1)c2ccc(CNC(=O)C3CCC3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 C04 compound treatment 0.264 0.0117 0.58 0.26 0.00731 0.38 0.6748 0.9785 2079875 MixCom4_000046 CCN(CC)c1cc(nc(n1)c2cccnc2)c3ccc(F)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 C05 compound treatment 0.245 -0.00727 -0.36 0.242 -0.0107 -0.55 -0.6422 -0.9784 2075092 MixCom4_000047 CN1CCN(CC1)c2ccc(CNCC(O)C(F)(F)F)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 C06 compound treatment 0.296 0.0437 2.15 0.275 0.0223 1.15 2.3353 0.9567 2079876 MixCom4_000048 Fc1ccc(cc1)c2cc(NCc3ccco3)nc(n2)c4cccnc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 C07 compound treatment 0.245 -0.00727 -0.36 0.244 -0.00869 -0.45 -0.5694 -0.9939 2075093 MixCom4_000049 CN1CCN(CC1)c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 C08 compound treatment 0.272 0.0197 0.97 0.272 0.0193 0.99 1.3902 0.9999 2079877 MixCom4_000050 CN1CCN(CC1)c2cc(nc(n2)c3ccncc3)c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 C09 compound treatment 0.25 -0.00227 -0.11 0.248 -0.00469 -0.24 -0.2496 -0.9388 2075094 MixCom4_000051 CN1CCN(CC1)c2ccc(CNS(=O)(=O)C)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 C10 compound treatment 0.245 -0.00727 -0.36 0.245 -0.00769 -0.4 -0.533 -0.9988 2079878 MixCom4_000052 COCCNc1cc(nc(C)n1)c2ccccc2F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 C11 compound treatment 0.24 -0.0123 -0.6 0.24 -0.0127 -0.65 -0.8891 -0.9992 2075095 MixCom4_000053 Cc1cc(CNCC(O)C(F)(F)F)no1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 C12 compound treatment 0.246 -0.00627 -0.31 0.248 -0.00469 -0.24 -0.3889 -0.9925 2079879 MixCom4_000054 Cc1nc(NCC=C)cc(n1)c2ccccc2F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 C13 compound treatment 0.248 -0.00427 -0.21 0.246 -0.00669 -0.34 -0.3921 -0.972 2075096 MixCom4_000055 O=C(C1CCCCN1)N2CCN(Cc3cccnc3)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 C14 compound treatment 0.247 -0.00527 -0.26 0.246 -0.00669 -0.34 -0.4269 -0.9903 2079880 MixCom4_000056 CC(Nc1cc(nc(C)n1)c2ccccc2F)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 C15 compound treatment 0.247 -0.00527 -0.26 0.246 -0.00669 -0.34 -0.4269 -0.9903 2075097 MixCom4_000057 COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 C16 compound treatment 0.263 0.0107 0.53 0.265 0.0123 0.63 0.822 0.9959 2079881 MixCom4_000058 CN(Cc1ccccc1)c2cc(nc(n2)c3ccccc3)c4ccccc4F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 C17 compound treatment 0.252 -2.69E-4 -0.01 0.255 0.00231 0.12 0.0748 0.6245 1575275 MixCom4_000059 Fc1ccc(cc1)C2NCCc3c2[nH]c4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 C18 compound treatment 0.264 0.0117 0.58 0.265 0.0123 0.63 0.8568 0.9989 2079882 MixCom4_000060 Clc1ccc(cc1)c2cnc(nc2)N3CCN(Cc4ccccc4)CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 C19 compound treatment 0.519 0.267 13.14 0.476 0.223 11.5 17.4186 0.9978 2075098 MixCom4_000061 CN(C)/C=C/C(=O)c1ccc(o1)c2cc(ccc2Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 C20 compound treatment 0.272 0.0197 0.97 0.271 0.0183 0.94 1.3538 0.9999 2079883 MixCom4_000062 CCN(CC)c1cc(nc(n1)c2ccncc2)c3ccccc3F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 C21 compound treatment 0.238 -0.0143 -0.7 0.239 -0.0137 -0.7 -0.9952 -1.0 2075099 MixCom4_000063 CSc1nc(nn1C(=O)N(C)C)c2ccc(cc2)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 C22 compound treatment 0.251 -0.00127 -0.06 0.247 -0.00569 -0.29 -0.2512 -0.8392 2079884 MixCom4_000064 Fc1ccccc1c2cc(NCc3ccccc3)nc(n2)c4ccncc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 C23 mock treatment 0.244 -0.00827 -0.41 0.243 -0.00969 -0.5 -0.6406 -0.995 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 C24 mock treatment 0.24 -0.0123 -0.6 0.235 -0.0177 -0.91 -1.0711 -0.9802 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 D01 compound treatment 0.253 7.31E-4 0.04 0.251 -0.00169 -0.09 -0.0359 -0.3824 2079885 MixCom4_000065 Cc1nc(cc(n1)c2cccc(c2)C(F)(F)F)N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 D02 compound treatment 0.27 0.0177 0.87 0.255 0.00231 0.12 0.7017 0.7962 2075087 MixCom4_000066 CN(C)/C=C/C(=O)c1cc(no1)c2cccc(c2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 D03 compound treatment 0.252 -2.69E-4 -0.01 0.256 0.00331 0.17 0.1113 0.6502 2079886 MixCom4_000067 CC(Nc1cc(nc(C)n1)c2cccc(c2)C(F)(F)F)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 D04 compound treatment 0.248 -0.00427 -0.21 0.258 0.00531 0.27 0.0447 0.1297 1384637 MixCom4_000068 Clc1ccc(cc1)C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 D05 compound treatment 0.254 0.00173 0.09 0.254 0.00131 0.07 0.1081 0.9934 2079887 MixCom4_000069 C1CCN(C1)c2ncc(cn2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 D06 compound treatment 0.246 -0.00627 -0.31 0.25 -0.00269 -0.14 -0.3161 -0.9344 1669460 MixCom4_000070 CN1CCN(CC1)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 D07 compound treatment 0.262 0.00973 0.48 0.256 0.00331 0.17 0.4595 0.9033 2079888 MixCom4_000071 Cc1cnc(CNc2ccc(cc2F)S(=O)(=O)C)cn1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 D08 mock treatment 0.26 0.00773 0.38 0.26 0.00731 0.38 0.5355 1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 D09 compound treatment 0.253 7.31E-4 0.04 0.249 -0.00369 -0.19 -0.1087 -0.563 2079889 MixCom4_000072 CS(=O)(=O)c1ccc(NCc2ccco2)c(F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 D10 mock treatment 0.252 -2.69E-4 -0.01 0.254 0.00131 0.07 0.0384 0.5578 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 D11 compound treatment 0.254 0.00173 0.09 0.25 -0.00269 -0.14 -0.0375 -0.2309 2079890 MixCom4_000073 CS(=O)(=O)c1ccc(NCc2cccnc2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 D12 compound treatment 0.256 0.00373 0.18 0.258 0.00531 0.27 0.3234 0.9813 2079923 MixCom4_000074 Cc1cccn2c(=O)c3CN(CCc3nc12)C(=O)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 D13 compound treatment 0.256 0.00373 0.18 0.25 -0.00269 -0.14 0.0321 0.1398 2079891 MixCom4_000075 CS(=O)(=O)c1ccc(cc1)N2CCN(CC2)c3ccccn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 D14 compound treatment 0.25 -0.00227 -0.11 0.254 0.00131 0.07 -0.0312 -0.2389 2079925 MixCom4_000076 CC(=O)N1CCc2nc3cccc(C)n3c(=O)c2C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 D15 compound treatment 0.254 0.00173 0.09 0.249 -0.00369 -0.19 -0.0739 -0.3553 2079892 MixCom4_000077 CS(=O)(=O)c1ccc(N2CCN(CC2)C(=O)c3ccc(Cl)cc3)c(F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 D16 compound treatment 0.259 0.00673 0.33 0.26 0.00731 0.38 0.5006 0.998 2079938 MixCom4_000078 CCCN(C1CCN(C)CC1)C(=O)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 D17 compound treatment 0.263 0.0107 0.53 0.265 0.0123 0.63 0.822 0.9959 2079893 MixCom4_000079 CS(=O)(=O)c1ccc(cc1)N2CCCNCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 D18 compound treatment 0.259 0.00673 0.33 0.265 0.0123 0.63 0.6827 0.9543 2079940 MixCom4_000080 CC(=O)N1CCc2cc(NC3CCN(Cc4ccccc4)CC3)ccc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 D19 compound treatment 0.252 -2.69E-4 -0.01 0.252 -6.86E-4 -0.04 -0.0344 -0.9105 2079894 MixCom4_000081 Fc1cc(F)cc(CC(=O)N2CCc3nc4ccccn4c(=O)c3C2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 D20 compound treatment 0.257 0.00473 0.23 0.256 0.00331 0.17 0.2854 0.9883 2079944 MixCom4_000082 FC(F)(F)c1cccc(CNC(=O)c2ccc(CCN3CCCC3)nc2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 D21 compound treatment 0.251 -0.00127 -0.06 0.252 -6.86E-4 -0.04 -0.0692 -0.9635 2079895 MixCom4_000083 Cc1cccn2c(=O)c3CN(CCc3nc12)C(=O)c4cccc(c4)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 D22 compound treatment 0.252 -2.69E-4 -0.01 0.255 0.00231 0.12 0.0748 0.6245 2079946 MixCom4_000084 OC(=O)C1N(Cc2ccccc2)Cc3ccccc3-n4cccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 D23 mock treatment 0.252 -2.69E-4 -0.01 0.257 0.00431 0.22 0.1477 0.6637 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 D24 mock treatment 0.245 -0.00727 -0.36 0.249 -0.00369 -0.19 -0.3874 -0.9559 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 E01 compound treatment 0.26 0.00773 0.38 0.253 3.14E-4 0.02 0.2807 0.7364 2075103 MixCom4_000085 COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c4ccsc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 E02 compound treatment 0.276 0.0237 1.17 0.275 0.0223 1.15 1.6387 1.0 2079896 MixCom4_000086 Cc1nc(NCCc2c[nH]c3ccccc23)cc(n1)c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 E03 compound treatment 0.254 0.00173 0.09 0.253 3.14E-4 0.02 0.0717 0.8264 2075104 MixCom4_000087 CN1CCN(CC1)c2ccc(CNC(=O)C3CCCCC3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 E04 compound treatment 0.271 0.0187 0.92 0.268 0.0153 0.79 1.2098 0.9969 2079897 MixCom4_000088 Fc1ccc(cc1)c2cc(nc(n2)c3cccnc3)N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 E05 compound treatment 0.251 -0.00127 -0.06 0.247 -0.00569 -0.29 -0.2512 -0.8392 2075105 MixCom4_000089 OC(CN1CCCN(CC1)c2nccc(n2)C(F)(F)F)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 E06 compound treatment 0.276 0.0237 1.17 0.264 0.0113 0.58 1.2383 0.9483 2079898 MixCom4_000090 Fc1ccc(cc1)c2cc(NCc3ccc(Cl)cc3)nc(n2)c4cccnc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 E07 compound treatment 0.263 0.0107 0.53 0.255 0.00231 0.12 0.4579 0.8453 2075106 MixCom4_000091 CN1CCN(CC1)c2ccc(CNS(=O)(=O)c3cc(F)ccc3C)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 E08 compound treatment 0.311 0.0587 2.89 0.284 0.0313 1.61 3.1853 0.9619 2079899 MixCom4_000092 Fc1ccc(cc1)c2cc(NCc3ccccc3)nc(n2)c4ccncc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 E09 compound treatment 0.258 0.00573 0.28 0.255 0.00231 0.12 0.2838 0.9264 2075107 MixCom4_000093 CN1CCN(CC1)c2ccc(CNS(=O)(=O)c3ccsc3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 E10 compound treatment 0.258 0.00573 0.28 0.253 3.14E-4 0.02 0.211 0.7463 2079900 MixCom4_000094 Cc1nc(cc(n1)c2ccccc2F)N3CCC4(CC3)OCCO4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 E11 compound treatment 0.248 -0.00427 -0.21 0.252 -6.86E-4 -0.04 -0.1737 -0.8145 2075108 MixCom4_000095 OC(CN1CCCN(Cc2ccc(F)cc2)CC1)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 E12 compound treatment 0.261 0.00873 0.43 0.263 0.0103 0.53 0.6795 0.9945 2079901 MixCom4_000096 CN1CCN(CC1)c2cc(nc(C)n2)c3ccccc3F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 E13 compound treatment 0.261 0.00873 0.43 0.26 0.00731 0.38 0.5703 0.9978 2075109 MixCom4_000097 Clc1c(sc2ccccc12)C(=O)N3CCN(Cc4cccnc4)CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 E14 compound treatment 0.255 0.00273 0.13 0.25 -0.00269 -0.14 -0.0027 -0.0139 2079902 MixCom4_000098 Cc1nc(NC2CCCCC2)cc(n1)c3ccccc3F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 E15 compound treatment 0.28 0.0277 1.37 0.272 0.0193 0.99 1.6688 0.9878 2075110 MixCom4_000099 COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 E16 compound treatment 0.276 0.0237 1.17 0.277 0.0243 1.25 1.7115 0.9994 2079903 MixCom4_000100 CN1CCN(CC1)c2cc(nc(n2)c3ccccc3)c4ccccc4F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 E17 compound treatment 0.258 0.00573 0.28 0.265 0.0123 0.63 0.6478 0.9336 2075111 MixCom4_000101 ClC1=C(CN2CCSCC2)CSc3ccc(Cl)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 E18 compound treatment 0.273 0.0207 1.02 0.277 0.0243 1.25 1.6071 0.9949 2079904 MixCom4_000102 CN(Cc1ccccc1)c2cc(nc(n2)c3cccnc3)c4ccccc4F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 E19 compound treatment 0.367 0.115 5.65 0.347 0.0943 4.86 7.429 0.9971 2075112 MixCom4_000103 CN1CCN(CC1)c2ccccc2/C=C\3/C(=O)Nc4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 E20 compound treatment 0.327 0.0747 3.68 0.33 0.0773 3.98 5.4171 0.9992 2079905 MixCom4_000104 Fc1ccccc1c2cc(NCc3ccncc3)nc(n2)c4ccncc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 E21 compound treatment 0.279 0.0267 1.32 0.279 0.0263 1.35 1.8888 0.9999 2075113 MixCom4_000105 CN(C)/C=C/C(=O)c1nn(ccc1=O)c2ccc(cc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 E22 compound treatment 0.31 0.0577 2.84 0.302 0.0493 2.54 3.8057 0.9984 2079906 MixCom4_000106 Fc1ccccc1c2cc(NCc3ccco3)nc(n2)c4ccncc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 E23 mock treatment 0.25 -0.00227 -0.11 0.252 -6.86E-4 -0.04 -0.104 -0.8874 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 E24 mock treatment 0.252 -2.69E-4 -0.01 0.246 -0.00669 -0.34 -0.2528 -0.7338 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 F01 compound treatment 0.254 0.00173 0.09 0.253 3.14E-4 0.02 0.0717 0.8264 2079907 MixCom4_000107 Cc1nc(cc(n1)c2cccc(c2)C(F)(F)F)N3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 F02 compound treatment 0.253 7.31E-4 0.04 0.255 0.00231 0.12 0.1097 0.8814 2075088 MixCom4_000108 Fc1ccc(cc1Cl)S(=O)(=O)NN2C3CSC2CS3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 F03 compound treatment 0.265 0.0127 0.63 0.264 0.0113 0.58 0.8552 0.9993 2079909 MixCom4_000109 Cc1nc(NCc2ccc(Cl)cc2)cc(n1)c3cccc(c3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 F04 compound treatment 0.256 0.00373 0.18 0.259 0.00631 0.33 0.3598 0.9635 1214022 MixCom4_000110 Cc1ccc(cc1)C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 F05 compound treatment 0.267 0.0147 0.73 0.26 0.00731 0.38 0.7793 0.9533 2079911 MixCom4_000111 Fc1ccc(cc1)c2cnc(nc2)N3CCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 F06 mock treatment 0.258 0.00573 0.28 0.26 0.00731 0.38 0.4658 0.9899 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 F07 compound treatment 0.265 0.0127 0.63 0.26 0.00731 0.38 0.7096 0.9702 2079912 MixCom4_000112 CC(C)N(C(C)C)c1ccc(cc1F)S(=O)(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 F08 mock treatment 0.272 0.0197 0.97 0.266 0.0133 0.69 1.1718 0.9854 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 F09 compound treatment 0.251 -0.00127 -0.06 0.258 0.00531 0.27 0.1492 0.5318 2079913 MixCom4_000113 CS(=O)(=O)c1ccc(N2CCc3ccccc3C2)c(F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 F10 mock treatment 0.259 0.00673 0.33 0.26 0.00731 0.38 0.5006 0.998 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 F11 compound treatment 0.259 0.00673 0.33 0.257 0.00431 0.22 0.3914 0.981 2079914 MixCom4_000114 CS(=O)(=O)c1ccc(cc1)N2CCOCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 F12 compound treatment 0.257 0.00473 0.23 0.265 0.0123 0.63 0.613 0.9076 2079948 MixCom4_000115 Cc1cccn2c(=O)c3CN(CCc3nc12)C(=O)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 F13 compound treatment 0.264 0.0117 0.58 0.261 0.00831 0.43 0.7112 0.9891 2079916 MixCom4_000116 CC(Nc1ccc(cc1)S(=O)(=O)C)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 F14 compound treatment 0.259 0.00673 0.33 0.261 0.00831 0.43 0.5371 0.992 2079950 MixCom4_000117 Cc1cccc2nc3CCN(Cc3c(=O)n12)C(=O)c4ccc(Cl)cc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 F15 compound treatment 0.259 0.00673 0.33 0.263 0.0103 0.53 0.6099 0.9743 2079918 MixCom4_000118 CS(=O)(=O)c1ccc(N2CCN(CC2)C(=O)c3c(F)cccc3F)c(F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 F16 compound treatment 0.259 0.00673 0.33 0.264 0.0113 0.58 0.6463 0.9643 2079952 MixCom4_000119 Fc1c(F)c(F)c2c(CC(=O)NCCN3CCOCC3)c[nH]c2c1F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 F17 compound treatment 0.269 0.0167 0.82 0.271 0.0183 0.94 1.2493 0.9977 2079920 MixCom4_000120 CS(=O)(=O)c1ccc(cc1)N2CCCC(O)C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 F18 compound treatment 0.262 0.00973 0.48 0.271 0.0183 0.94 1.0056 0.9508 2079726 MixCom4_000121 OC(=O)C1CCN(Cc2ccccn2)CC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 F19 compound treatment 0.262 0.00973 0.48 0.258 0.00531 0.27 0.5323 0.9646 2079922 MixCom4_000122 CC(C)CC(=O)N1CCc2nc3ccccn3c(=O)c2C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 F20 compound treatment 0.278 0.0257 1.27 0.272 0.0193 0.99 1.5992 0.9928 2079966 MixCom4_000123 Clc1ccc(cc1)c2csc(c2)C(=O)NCCN3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 F21 compound treatment 0.262 0.00973 0.48 0.261 0.00831 0.43 0.6415 0.9984 2079924 MixCom4_000124 Cc1cccn2c(=O)c3CN(CCc3nc12)C(=O)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 F22 compound treatment 0.258 0.00573 0.28 0.26 0.00731 0.38 0.4658 0.9899 2079734 MixCom4_000125 OC(=O)C1CCN(Cc2ccncc2)CC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 F23 mock treatment 0.261 0.00873 0.43 0.257 0.00431 0.22 0.4611 0.9527 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 F24 mock treatment 0.252 -2.69E-4 -0.01 0.256 0.00331 0.17 0.1113 0.6502 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 G01 compound treatment 0.252 -2.69E-4 -0.01 0.251 -0.00169 -0.09 -0.0708 -0.8058 2075114 MixCom4_000126 COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c4cccnc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 G02 compound treatment 0.26 0.00773 0.38 0.258 0.00531 0.27 0.4627 0.9868 2079926 MixCom4_000127 Fc1ccc(cc1)c2cc(nc(n2)c3ccccc3)N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 G03 compound treatment 0.247 -0.00527 -0.26 0.251 -0.00169 -0.09 -0.2449 -0.8949 2075115 MixCom4_000128 CN1CCN(CC1)c2ccc(CNC(=O)c3ccco3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 G04 compound treatment 0.267 0.0147 0.73 0.262 0.00931 0.48 0.8521 0.9798 2079927 MixCom4_000129 Fc1ccc(cc1)c2cc(nc(n2)c3cccnc3)N4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 G05 compound treatment 0.252 -2.69E-4 -0.01 0.257 0.00431 0.22 0.1477 0.6637 2075116 MixCom4_000130 OC(CN1CCCc2cc(ccc12)C(=O)O)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 G06 compound treatment 0.281 0.0287 1.42 0.268 0.0153 0.79 1.5581 0.9619 2079928 MixCom4_000131 Fc1ccc(cc1)c2cc(NC3CC3)nc(n2)c4cccnc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 G07 compound treatment 0.257 0.00473 0.23 0.255 0.00231 0.12 0.249 0.9515 2075117 MixCom4_000132 CN1CCN(CC1)c2ccc(CNS(=O)(=O)c3ccc(F)cc3Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 G08 compound treatment 0.296 0.0437 2.15 0.279 0.0263 1.35 2.4809 0.975 2079929 MixCom4_000133 Fc1ccc(cc1)c2cc(NCc3ccco3)nc(n2)c4ccncc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 G09 compound treatment 0.255 0.00273 0.13 0.257 0.00431 0.22 0.2521 0.9711 2075118 MixCom4_000134 CN1CCN(CC1)c2ccc(CNS(=O)(=O)c3cc(C)sc3C)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 G10 compound treatment 0.252 -2.69E-4 -0.01 0.252 -6.86E-4 -0.04 -0.0344 -0.9105 2079930 MixCom4_000135 CCN(CC)c1cc(nc(C)n1)c2ccccc2F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 G11 compound treatment 0.246 -0.00627 -0.31 0.252 -6.86E-4 -0.04 -0.2433 -0.7829 2075119 MixCom4_000136 OC(CN1CCN(Cc2c(F)cccc2Cl)CC1)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 G12 compound treatment 0.256 0.00373 0.18 0.265 0.0123 0.63 0.5782 0.876 2079931 MixCom4_000137 Cc1nc(cc(n1)c2ccccc2F)N3CCC(O)CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 G13 compound treatment 0.258 0.00573 0.28 0.251 -0.00169 -0.09 0.1382 0.468 2075120 MixCom4_000138 O=C(N1CCSCC1)c2nc3ccccc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 G14 compound treatment 0.251 -0.00127 -0.06 0.252 -6.86E-4 -0.04 -0.0692 -0.9635 2079932 MixCom4_000139 Cc1nc(NC2CC2)cc(n1)c3ccccc3F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 G15 compound treatment 0.28 0.0277 1.37 0.277 0.0243 1.25 1.8509 0.9991 1461440 MixCom4_000140 COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c3ccc(F)c(F)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 G16 compound treatment 0.25 -0.00227 -0.11 0.25 -0.00269 -0.14 -0.1768 -0.9944 2079933 MixCom4_000141 OC1CCN(CC1)c2cc(nc(n2)c3ccccc3)c4ccccc4F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 G17 compound treatment 0.277 0.0247 1.22 0.276 0.0233 1.2 1.71 1.0 2075121 MixCom4_000142 ClC1=C(CN2CCCCC2)CSc3ccc(Cl)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 G18 compound treatment 0.286 0.0337 1.66 0.274 0.0213 1.1 1.9506 0.9797 2079934 MixCom4_000143 Fc1ccccc1c2cc(NCC=C)nc(n2)c3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 G19 compound treatment 0.253 7.31E-4 0.04 0.252 -6.86E-4 -0.04 5.0E-4 0.0093 2075122 MixCom4_000144 CN1CCN(CC1)c2ccccc2/C=N/c3cc(Cl)cc(Cl)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 G20 compound treatment 0.261 0.00873 0.43 0.266 0.0133 0.69 0.7887 0.9748 2079935 MixCom4_000145 Fc1ccccc1c2cc(nc(n2)c3ccncc3)N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 G21 compound treatment 0.255 0.00273 0.13 0.256 0.00331 0.17 0.2157 0.9931 2075123 MixCom4_000146 COCc1cc(nc(n1)c2csc(C)n2)N(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 G22 compound treatment 0.265 0.0127 0.63 0.265 0.0123 0.63 0.8916 1.0 2079936 MixCom4_000147 CC(Nc1cc(nc(n1)c2ccncc2)c3ccccc3F)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 G23 mock treatment 0.251 -0.00127 -0.06 0.255 0.00231 0.12 0.04 0.2975 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 G24 mock treatment 0.249 -0.00327 -0.16 0.245 -0.00769 -0.4 -0.3937 -0.9215 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 H01 compound treatment 0.257 0.00473 0.23 0.252 -6.86E-4 -0.04 0.1398 0.5931 2079937 MixCom4_000148 CN(Cc1ccccc1)c2cc(nc(C)n2)c3cccc(c3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 H02 compound treatment 0.256 0.00373 0.18 0.258 0.00531 0.27 0.3234 0.9813 2075089 MixCom4_000149 FC(F)(F)C1CCN(CC1)c2ccc(cc2NC(=O)c3cccs3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 H03 compound treatment 0.252 -2.69E-4 -0.01 0.251 -0.00169 -0.09 -0.0708 -0.8058 2079939 MixCom4_000150 Cc1nc(NC2CC2)cc(n1)c3cccc(c3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 H04 compound treatment 0.256 0.00373 0.18 0.255 0.00231 0.12 0.2142 0.978 1510899 MixCom4_000151 O=C(N1CCN(Cc2ccc3OCOc3c2)CC1)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 H05 compound treatment 0.257 0.00473 0.23 0.259 0.00631 0.33 0.3946 0.9867 1653366 MixCom4_000152 OC(=O)CC1(CC(=O)NC2CC2)CCCC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 H06 mock treatment 0.245 -0.00727 -0.36 0.251 -0.00169 -0.09 -0.3145 -0.8538 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 H07 compound treatment 0.248 -0.00427 -0.21 0.26 0.00731 0.38 0.1176 0.2726 2079941 MixCom4_000153 CS(=O)(=O)c1ccc(N2CCC3(CC2)OCCO3)c(F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 H08 mock treatment 0.262 0.00973 0.48 0.262 0.00931 0.48 0.6779 1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 H09 compound treatment 0.257 0.00473 0.23 0.251 -0.00169 -0.09 0.1034 0.4157 2079942 MixCom4_000154 CS(=O)(=O)c1ccc(NCCc2ccccc2)c(F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 H10 mock treatment 0.256 0.00373 0.18 0.258 0.00531 0.27 0.3234 0.9813 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 H11 compound treatment 0.256 0.00373 0.18 0.256 0.00331 0.17 0.2506 0.9993 2079943 MixCom4_000155 CS(=O)(=O)c1ccc(cc1)N2CCCCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 H12 compound treatment 0.252 -2.69E-4 -0.01 0.262 0.00931 0.48 0.3297 0.6873 2079972 MixCom4_000156 Cc1cccn2c(=O)c3CN(CCc3nc12)C(=O)c4c(F)cccc4F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 H13 compound treatment 0.259 0.00673 0.33 0.25 -0.00269 -0.14 0.1366 0.3804 2079945 MixCom4_000157 CC1CN(CC(C)O1)c2ccc(cc2)S(=O)(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 H14 compound treatment 0.255 0.00273 0.13 0.257 0.00431 0.22 0.2521 0.9711 2079974 MixCom4_000158 Cc1cccc2nc3CCN(Cc3c(=O)n12)C(=O)Cc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 H15 compound treatment 0.251 -0.00127 -0.06 0.259 0.00631 0.33 0.1856 0.5608 2079947 MixCom4_000159 CS(=O)(=O)c1ccc(cc1)N2CCC(O)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 H16 compound treatment 0.254 0.00173 0.09 0.258 0.00531 0.27 0.2537 0.8855 2079653 MixCom4_000160 O=C1Cc2ccccc2N1C3CCN(CCC#N)CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 H17 compound treatment 0.267 0.0147 0.73 0.266 0.0133 0.69 0.9977 0.9996 2079949 MixCom4_000161 CS(=O)(=O)c1ccc(N2CCCC(O)C2)c(F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 H18 compound treatment 0.255 0.00273 0.13 0.254 0.00131 0.07 0.1429 0.9494 2079977 MixCom4_000162 C1CN(CCO1)C2c3cccn3-c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 H19 compound treatment 0.253 7.31E-4 0.04 0.244 -0.00869 -0.45 -0.2908 -0.6481 2079951 MixCom4_000163 CC(C)(C)c1ccc(cc1)C(=O)N2CCc3nc4ccccn4c(=O)c3C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 H20 compound treatment 0.269 0.0167 0.82 0.266 0.0133 0.69 1.0673 0.9958 2079979 MixCom4_000164 CN1CCN(CC1)C(=O)c2cc(cs2)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 H21 compound treatment 0.238 -0.0143 -0.7 0.238 -0.0147 -0.76 -1.0316 -0.9993 2079953 MixCom4_000165 CC(=O)N1CCc2nc3c(C)cccn3c(=O)c2C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 H22 compound treatment 0.248 -0.00427 -0.21 0.261 0.00831 0.43 0.154 0.3229 2079981 MixCom4_000166 CN1CCC(CC1)N(C(=O)c2ccc(cc2)C(F)(F)F)c3ccc4CCN(C(=O)C)c4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 H23 mock treatment 0.254 0.00173 0.09 0.262 0.00931 0.48 0.3993 0.82 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 H24 mock treatment 0.257 0.00473 0.23 0.253 3.14E-4 0.02 0.1762 0.7543 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 I01 compound treatment 0.245 -0.00727 -0.36 0.25 -0.00269 -0.14 -0.351 -0.9144 2075124 MixCom4_000167 COc1ccc(CC(=O)Nc2ccccc2N3CCCCC3)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 I02 compound treatment 0.253 7.31E-4 0.04 0.253 3.14E-4 0.02 0.0369 0.9346 2079954 MixCom4_000168 Fc1ccc(cc1)c2cc(nc(n2)c3ccccc3)N4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 I03 compound treatment 0.264 0.0117 0.58 0.264 0.0113 0.58 0.8204 1.0 2075125 MixCom4_000169 CN1CCN(CC1)c2ccc(CNC(=O)c3cc4ccccc4o3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 I04 compound treatment 0.258 0.00573 0.28 0.261 0.00831 0.43 0.5022 0.9796 2079955 MixCom4_000170 CN(Cc1ccccc1)c2cc(nc(n2)c3cccnc3)c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 I05 compound treatment 0.251 -0.00127 -0.06 0.257 0.00431 0.22 0.1128 0.4891 2075126 MixCom4_000171 OC(CN1CCN(Cc2ccc3OCOc3c2)CC1)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 I06 compound treatment 0.272 0.0197 0.97 0.272 0.0193 0.99 1.3902 0.9999 2079956 MixCom4_000172 CCN(CC)c1cc(nc(n1)c2ccncc2)c3ccc(F)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 I07 compound treatment 0.252 -2.69E-4 -0.01 0.258 0.00531 0.27 0.1841 0.672 2075127 MixCom4_000173 CN1CCN(CC1)c2ccc(CNS(=O)(=O)c3cccc(F)c3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 I08 compound treatment 0.293 0.0407 2.01 0.286 0.0333 1.72 2.6312 0.997 2079957 MixCom4_000174 Fc1ccc(cc1)c2cc(NCc3ccc(Cl)cc3)nc(n2)c4ccncc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 I09 compound treatment 0.257 0.00473 0.23 0.256 0.00331 0.17 0.2854 0.9883 2075128 MixCom4_000175 OC(CNC1CCN(Cc2ccccc2)CC1)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 I10 compound treatment 0.269 0.0167 0.82 0.266 0.0133 0.69 1.0673 0.9958 2079958 MixCom4_000176 CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c3ccc4[nH]c(C)cc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 I11 compound treatment 0.25 -0.00227 -0.11 0.255 0.00231 0.12 0.0052 0.0318 2075129 MixCom4_000177 OC(CN1CCN(CC1)c2ccc(F)cc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 I12 compound treatment 0.261 0.00873 0.43 0.272 0.0193 0.99 1.0071 0.9297 2079959 MixCom4_000178 Cc1nc(NCc2ccccc2)cc(n1)c3ccccc3F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 I13 compound treatment 0.261 0.00873 0.43 0.267 0.0143 0.74 0.8251 0.9671 2075130 MixCom4_000179 O=C(Nc1ccccc1N2CCOCC2)c3nc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 I14 compound treatment 0.271 0.0187 0.92 0.271 0.0183 0.94 1.319 0.9999 2079960 MixCom4_000180 Cc1nc(NCCc2c[nH]c3ccccc23)cc(n1)c4ccccc4F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 I15 compound treatment 0.251 -0.00127 -0.06 0.255 0.00231 0.12 0.04 0.2975 2075131 MixCom4_000181 O=C1C2CCN(CC2)C31CC3c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 I16 compound treatment 0.258 0.00573 0.28 0.262 0.00931 0.48 0.5386 0.9681 2079961 MixCom4_000182 CCCN1CCC(CC1)N(C2CC2)C(=O)c3cccc(NC(=O)c4ccc(cc4)C(C)(C)C)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 I17 compound treatment 0.267 0.0147 0.73 0.262 0.00931 0.48 0.8521 0.9798 2075132 MixCom4_000183 CCN(CC)C(=O)c1cc2sccc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 I18 compound treatment 0.272 0.0197 0.97 0.27 0.0173 0.89 1.3174 0.9991 2079962 MixCom4_000184 CN1CCN(CC1)c2cc(nc(n2)c3cccnc3)c4ccccc4F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 I19 compound treatment 0.266 0.0137 0.68 0.279 0.0263 1.35 1.4361 0.9485 2075133 MixCom4_000185 Cc1c(C)c(C)c(CS/C(=N/c2cc(Cl)ccc2Cl)/N3CCOCC3)c(C)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 I20 compound treatment 0.285 0.0327 1.61 0.282 0.0293 1.51 2.207 0.9995 2079963 MixCom4_000186 Fc1ccccc1c2cc(nc(n2)c3ccncc3)N4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 I21 compound treatment 0.268 0.0157 0.77 0.259 0.00631 0.33 0.7777 0.9256 2075134 MixCom4_000187 COC(=O)c1c(/C=C/N(C)C)onc1c2c(Cl)cccc2Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 I22 compound treatment 0.302 0.0497 2.45 0.301 0.0483 2.49 3.4907 1.0 2079964 MixCom4_000188 Fc1ccccc1c2cc(NC3CC3)nc(n2)c4ccncc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 I23 mock treatment 0.256 0.00373 0.18 0.261 0.00831 0.43 0.4326 0.9287 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 I24 mock treatment 0.255 0.00273 0.13 0.257 0.00431 0.22 0.2521 0.9711 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 J01 compound treatment 0.246 -0.00627 -0.31 0.251 -0.00169 -0.09 -0.2797 -0.8721 2079965 MixCom4_000189 Cc1nc(NCC=C)cc(n1)c2cccc(c2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 J02 compound treatment 0.263 0.0107 0.53 0.267 0.0143 0.74 0.8948 0.9867 2075100 MixCom4_000190 COc1ccc(NC(=O)Nc2cc(ccc2N3CCC(CC3)C(F)(F)F)C(F)(F)F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 J03 compound treatment 0.249 -0.00327 -0.16 0.25 -0.00269 -0.14 -0.2116 -0.9971 2079967 MixCom4_000191 FC(F)(F)c1cccc(c1)c2cc(NC3CC3)nc(n2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 J04 compound treatment 0.253 7.31E-4 0.04 0.253 3.14E-4 0.02 0.0369 0.9346 1151412 MixCom4_000192 CC(C)(C)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 J05 compound treatment 0.252 -2.69E-4 -0.01 0.257 0.00431 0.22 0.1477 0.6637 2079968 MixCom4_000193 CNC(=O)CC1(CC(=O)O)CCCC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 J06 mock treatment 0.254 0.00173 0.09 0.252 -6.86E-4 -0.04 0.0353 0.3825 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 J07 compound treatment 0.254 0.00173 0.09 0.252 -6.86E-4 -0.04 0.0353 0.3825 2079969 MixCom4_000194 CS(=O)(=O)c1ccc(NCc2cccnc2)c(F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 J08 mock treatment 0.259 0.00673 0.33 0.261 0.00831 0.43 0.5371 0.992 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 J09 compound treatment 0.255 0.00273 0.13 0.255 0.00231 0.12 0.1793 0.9982 2079970 MixCom4_000195 CS(=O)(=O)c1ccc(N2CCN(CC2)c3ccccn3)c(F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 J10 mock treatment 0.247 -0.00527 -0.26 0.255 0.00231 0.12 -0.0993 -0.3477 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 J11 compound treatment 0.248 -0.00427 -0.21 0.25 -0.00269 -0.14 -0.2465 -0.9793 2079971 MixCom4_000196 CN1CCN(CC1)c2ccc(cc2)S(=O)(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 J12 compound treatment 0.252 -2.69E-4 -0.01 0.26 0.00731 0.38 0.2569 0.6818 2079994 MixCom4_000197 Cc1cccn2c(=O)c3CN(CCc3nc12)C(=O)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 J13 compound treatment 0.25 -0.00227 -0.11 0.26 0.00731 0.38 0.1872 0.4767 2079973 MixCom4_000198 CS(=O)(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 J14 compound treatment 0.249 -0.00327 -0.16 0.255 0.00231 0.12 -0.0296 -0.1479 2079996 MixCom4_000199 Cc1cccc2nc3CCN(Cc3c(=O)n12)C(=O)C4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 J15 compound treatment 0.253 7.31E-4 0.04 0.253 3.14E-4 0.02 0.0369 0.9346 2079975 MixCom4_000200 CS(=O)(=O)c1ccc(N2CCC(O)CC2)c(F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 J16 compound treatment 0.253 7.31E-4 0.04 0.254 0.00131 0.07 0.0733 0.9564 2080001 MixCom4_000201 CN(C)CCC(=O)c1ccc(cc1)S(=O)(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 J17 compound treatment 0.258 0.00573 0.28 0.253 3.14E-4 0.02 0.211 0.7463 2079976 MixCom4_000202 FC(F)(F)c1cccc(c1)C(=O)N2CCc3nc4ccccn4c(=O)c3C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 J18 compound treatment 0.257 0.00473 0.23 0.257 0.00431 0.22 0.3218 0.9997 2079730 MixCom4_000203 O=C(C1CCN(Cc2ccccn2)CC1)N3CCc4ccccc4C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 J19 compound treatment 0.251 -0.00127 -0.06 0.256 0.00331 0.17 0.0764 0.4206 2079978 MixCom4_000204 O=C(N1CCc2nc3ccccn3c(=O)c2C1)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 J20 compound treatment 0.254 0.00173 0.09 0.252 -6.86E-4 -0.04 0.0353 0.3825 2080004 MixCom4_000205 CCCN1CCC(CC1)N(C(=O)C2CC2)c3ccc4[nH]c(cc4c3)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 J21 compound treatment 0.251 -0.00127 -0.06 0.248 -0.00469 -0.24 -0.2148 -0.8619 2079980 MixCom4_000206 Cc1cccn2c(=O)c3CN(CCc3nc12)C(=O)c4ccc(Cl)cc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 J22 compound treatment 0.252 -2.69E-4 -0.01 0.257 0.00431 0.22 0.1477 0.6637 2079773 MixCom4_000207 Cc1ccccc1C(=O)N2CCC(CC2)N3CCN(CC3)c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 J23 mock treatment 0.251 -0.00127 -0.06 0.252 -6.86E-4 -0.04 -0.0692 -0.9635 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 J24 mock treatment 0.254 0.00173 0.09 0.246 -0.00669 -0.34 -0.1831 -0.5164 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 K01 compound treatment 0.248 -0.00427 -0.21 0.251 -0.00169 -0.09 -0.2101 -0.9234 2075135 MixCom4_000208 COc1ccc(CC(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 K02 compound treatment 0.267 0.0147 0.73 0.263 0.0103 0.53 0.8885 0.9882 2079982 MixCom4_000209 CN(Cc1ccccc1)c2cc(nc(n2)c3ccccc3)c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 K03 compound treatment 0.254 0.00173 0.09 0.257 0.00431 0.22 0.2173 0.9135 2075136 MixCom4_000210 CN1CCN(CC1)c2ccc(CNC(=O)c3ccsc3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 K04 compound treatment 0.293 0.0407 2.01 0.295 0.0423 2.18 2.9589 0.9992 2079983 MixCom4_000211 Fc1ccc(cc1)c2cc(NCC=C)nc(n2)c3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 K05 compound treatment 0.249 -0.00327 -0.16 0.246 -0.00669 -0.34 -0.3573 -0.9401 2075137 MixCom4_000212 Fc1ccc(cc1)C2CCCN2C(=O)C3CCCCN3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 K06 compound treatment 0.263 0.0107 0.53 0.261 0.00831 0.43 0.6764 0.9945 2079984 MixCom4_000213 Fc1ccc(cc1)c2cc(nc(n2)c3ccncc3)N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 K07 compound treatment 0.253 7.31E-4 0.04 0.259 0.00631 0.33 0.2553 0.7806 2075138 MixCom4_000214 CN1CCN(CC1)c2ccc(CNS(=O)(=O)Cc3ccccc3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 K08 compound treatment 0.301 0.0487 2.4 0.288 0.0353 1.82 2.9827 0.9906 2079985 MixCom4_000215 Fc1ccc(cc1)c2cc(NC3CC3)nc(n2)c4ccncc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 K09 compound treatment 0.255 0.00273 0.13 0.254 0.00131 0.07 0.1429 0.9494 2075139 MixCom4_000216 OC(CNCC1COc2ccccc2O1)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 K10 compound treatment 0.251 -0.00127 -0.06 0.256 0.00331 0.17 0.0764 0.4206 2079986 MixCom4_000217 Cc1nc(cc(n1)c2ccccc2F)N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 K11 compound treatment 0.255 0.00273 0.13 0.246 -0.00669 -0.34 -0.1483 -0.4013 2075140 MixCom4_000218 OC(CN1CCN=C(C=C1)C(F)(F)F)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 K12 compound treatment 0.255 0.00273 0.13 0.253 3.14E-4 0.02 0.1065 0.7864 2079987 MixCom4_000219 Cc1nc(NCc2ccco2)cc(n1)c3ccccc3F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 K13 compound treatment 0.248 -0.00427 -0.21 0.253 3.14E-4 0.02 -0.1373 -0.6509 2075141 MixCom4_000220 COc1cc2CCN(Cc2cc1OC)C(=O)COc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 K14 compound treatment 0.262 0.00973 0.48 0.251 -0.00169 -0.09 0.2775 0.5698 2079988 MixCom4_000221 Cc1cnc(CNc2cc(nc(n2)c3ccccc3)c4ccccc4F)nc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 K15 compound treatment 0.257 0.00473 0.23 0.255 0.00231 0.12 0.249 0.9515 2075142 MixCom4_000222 CN1C/2CCC1/C(=C\c3ccc(F)cc3)/C(=O)\C2=C\c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 K16 compound treatment 0.268 0.0157 0.77 0.267 0.0143 0.74 1.0689 0.9997 2079989 MixCom4_000223 CC(Nc1cc(nc(n1)c2ccccc2)c3ccccc3F)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 K17 compound treatment 0.276 0.0237 1.17 0.266 0.0133 0.69 1.3111 0.9677 2075143 MixCom4_000224 OC(CNCc1ccc(cc1)C(F)(F)F)CO/N=C/C2=C(Cl)c3cc(Cl)ccc3OC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 K18 compound treatment 0.271 0.0187 0.92 0.276 0.0233 1.2 1.501 0.9916 2079990 MixCom4_000225 OC1CCN(CC1)c2cc(nc(n2)c3cccnc3)c4ccccc4F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 K19 compound treatment 0.245 -0.00727 -0.36 0.251 -0.00169 -0.09 -0.3145 -0.8538 2075144 MixCom4_000226 CN(C)c1ccc(CC(C)(C)NC(=O)C)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 K20 compound treatment 0.265 0.0127 0.63 0.273 0.0203 1.05 1.1828 0.9701 2079991 MixCom4_000227 CN(Cc1ccccc1)c2cc(nc(n2)c3ccncc3)c4ccccc4F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 K21 compound treatment 0.28 0.0277 1.37 0.271 0.0183 0.94 1.6324 0.9836 2075145 MixCom4_000228 CCOC(=O)c1nc(C)sc1C(=O)/C=C/N(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 K22 compound treatment 0.259 0.00673 0.33 0.26 0.00731 0.38 0.5006 0.998 2079992 MixCom4_000229 Cc1cnc(CNc2cc(nc(C)n2)c3cccc(c3)C(F)(F)F)nc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 K23 mock treatment 0.254 0.00173 0.09 0.314 0.0613 3.16 2.2922 0.7259 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 K24 mock treatment 0.254 0.00173 0.09 0.254 0.00131 0.07 0.1081 0.9934 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 L01 compound treatment 0.256 0.00373 0.18 0.263 0.0103 0.53 0.5054 0.8995 2079993 MixCom4_000230 CN1CCN(CC1)c2cc(nc(C)n2)c3cccc(c3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 L02 compound treatment 0.259 0.00673 0.33 0.265 0.0123 0.63 0.6827 0.9543 1676216 MixCom4_000231 O=C(N1CCN(CC1)C2c3ccccc3-c4ccccc24)c5cccs5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 L03 compound treatment 0.281 0.0287 1.42 0.288 0.0353 1.82 2.2861 0.9923 2079995 MixCom4_000232 FC(F)(F)c1cccc(c1)c2cc(NC3CC3)nc(n2)c4cccnc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 L04 compound treatment 0.251 -0.00127 -0.06 0.25 -0.00269 -0.14 -0.142 -0.9356 2075101 MixCom4_000233 CC(C)(C)OC(=O)NC1CCNCC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 L05 compound treatment 0.252 -2.69E-4 -0.01 0.256 0.00331 0.17 0.1113 0.6502 2079997 MixCom4_000234 OC(=O)CC1(CC(=O)N2CCCC2)CCCC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 L06 mock treatment 0.249 -0.00327 -0.16 0.253 3.14E-4 0.02 -0.1024 -0.633 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 L07 compound treatment 0.254 0.00173 0.09 0.256 0.00331 0.17 0.1809 0.9486 2079998 MixCom4_000235 CS(=O)(=O)c1ccc(N2CCOCC2)c(F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 L08 mock treatment 0.258 0.00573 0.28 0.262 0.00931 0.48 0.5386 0.9681 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 L09 compound treatment 0.259 0.00673 0.33 0.259 0.00631 0.33 0.4642 1.0 2079999 MixCom4_000236 CS(=O)(=O)c1ccc(NC2CCCCC2)c(F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 L10 mock treatment 0.25 -0.00227 -0.11 0.257 0.00431 0.22 0.078 0.3137 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 L11 compound treatment 0.253 7.31E-4 0.04 0.258 0.00531 0.27 0.2189 0.7933 2080000 MixCom4_000237 CS(=O)(=O)c1ccc(NCc2ccccc2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 L12 compound treatment 0.256 0.00373 0.18 0.251 -0.00169 -0.09 0.0685 0.3373 2080007 MixCom4_000238 Cc1ccccc1C(=O)N2CCc3nc4c(C)cccn4c(=O)c3C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 L13 compound treatment 0.256 0.00373 0.18 0.257 0.00431 0.22 0.287 0.9956 2080002 MixCom4_000239 CS(=O)(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 L14 compound treatment 0.254 0.00173 0.09 0.258 0.00531 0.27 0.2537 0.8855 2080009 MixCom4_000240 Cc1cccc2nc3CCN(Cc3c(=O)n12)C(=O)Cc4cc(F)cc(F)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 L15 compound treatment 0.251 -0.00127 -0.06 0.251 -0.00169 -0.09 -0.1056 -0.987 2080003 MixCom4_000241 CS(=O)(=O)c1ccc(cc1)N2CCNCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 L16 compound treatment 0.253 7.31E-4 0.04 0.265 0.0123 0.63 0.4737 0.7461 2080022 MixCom4_000242 CN1CCC(CC1)Nc2ccc3N(CCc3c2)C(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 L17 compound treatment 0.266 0.0137 0.68 0.263 0.0103 0.53 0.8536 0.9928 2080005 MixCom4_000243 CC(C)(C)C(=O)N1CCc2nc3ccccn3c(=O)c2C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 L18 compound treatment 0.264 0.0117 0.58 0.258 0.00531 0.27 0.602 0.9417 2080024 MixCom4_000244 COc1ccc(cc1)S(=O)(=O)N2CCCN(Cc3ccccc3)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 L19 compound treatment 0.26 0.00773 0.38 0.256 0.00331 0.17 0.3899 0.9344 2080006 MixCom4_000245 Fc1cccc(F)c1C(=O)N2CCc3nc4ccccn4c(=O)c3C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 L20 compound treatment 0.254 0.00173 0.09 0.26 0.00731 0.38 0.3265 0.8458 2080029 MixCom4_000246 CCCN1CCC(CC1)N(C(=O)c2cccc(c2)C(F)(F)F)c3ccc4[nH]c(cc4c3)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 L21 compound treatment 0.244 -0.00827 -0.41 0.242 -0.0107 -0.55 -0.677 -0.9891 2080008 MixCom4_000247 Cc1cccn2c(=O)c3CN(CCc3nc12)C(=O)Cc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 L22 compound treatment 0.256 0.00373 0.18 0.253 3.14E-4 0.02 0.1414 0.7663 2079746 MixCom4_000248 Clc1cccc(CNC(=O)C2CCN(Cc3cccnc3)CC2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 L23 mock treatment 0.26 0.00773 0.38 0.261 0.00831 0.43 0.5719 0.9983 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 L24 mock treatment 0.256 0.00373 0.18 0.252 -6.86E-4 -0.04 0.1049 0.5609 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 M01 compound treatment 0.25 -0.00227 -0.11 0.25 -0.00269 -0.14 -0.1768 -0.9944 2075146 MixCom4_000249 COc1ccc(cc1)C(=O)NCc2ccc(cc2)N3CCN(C)CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 M02 compound treatment 0.285 0.0327 1.61 0.283 0.0303 1.56 2.2434 0.9999 2080010 MixCom4_000250 CN1CCN(CC1)c2cc(nc(n2)c3ccccc3)c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 M03 compound treatment 0.258 0.00573 0.28 0.261 0.00831 0.43 0.5022 0.9796 2075147 MixCom4_000251 CN1CCN(CC1)c2ccc(CNC(=O)c3ccc(C)c(C)c3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 M04 compound treatment 0.279 0.0267 1.32 0.279 0.0263 1.35 1.8888 0.9999 2080011 MixCom4_000252 CN1CCN(CC1)c2cc(nc(n2)c3cccnc3)c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 M05 compound treatment 0.249 -0.00327 -0.16 0.262 0.00931 0.48 0.2252 0.4452 2075148 MixCom4_000253 CN1CCN(CC1)c2ccc(CNS(=O)(=O)c3ccccc3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 M06 compound treatment 0.265 0.0127 0.63 0.263 0.0103 0.53 0.8188 0.9966 2080012 MixCom4_000254 Fc1ccc(cc1)c2cc(nc(n2)c3ccncc3)N4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 M07 compound treatment 0.259 0.00673 0.33 0.257 0.00431 0.22 0.3914 0.981 2075149 MixCom4_000255 CN1CCN(CC1)c2ccc(CNS(=O)(=O)Cc3ccc(Cl)cc3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 M08 compound treatment 0.263 0.0107 0.53 0.266 0.0133 0.69 0.8584 0.9918 2080013 MixCom4_000256 CN(C)CCNc1cc(nc(C)n1)c2ccccc2F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 M09 compound treatment 0.253 7.31E-4 0.04 0.253 3.14E-4 0.02 0.0369 0.9346 2075150 MixCom4_000257 OC(CNCc1ccco1)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 M10 compound treatment 0.256 0.00373 0.18 0.252 -6.86E-4 -0.04 0.1049 0.5609 2080014 MixCom4_000258 Cc1nc(cc(n1)c2ccccc2F)N3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 M11 compound treatment 0.253 7.31E-4 0.04 0.253 3.14E-4 0.02 0.0369 0.9346 1478188 MixCom4_000259 O=C(CN1C(=O)c2ccccc2C1=O)N3CCCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 M12 compound treatment 0.261 0.00873 0.43 0.262 0.00931 0.48 0.6431 0.9985 2080015 MixCom4_000260 Cc1nc(cc(n1)c2ccccc2F)N3CCc4ccccc4C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 M13 compound treatment 0.251 -0.00127 -0.06 0.261 0.00831 0.43 0.2584 0.5975 2075151 MixCom4_000261 COc1cc2CCN(Cc2cc1OC)C(=O)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 M14 compound treatment 0.258 0.00573 0.28 0.266 0.0133 0.69 0.6842 0.9231 2080016 MixCom4_000262 CCN(CC)c1cc(nc(n1)c2ccccc2)c3ccccc3F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 M15 compound treatment 0.259 0.00673 0.33 0.257 0.00431 0.22 0.3914 0.981 2075152 MixCom4_000263 O=C(COc1ccccc1)Nc2ccc3N4CCCC4COc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 M16 compound treatment 0.279 0.0267 1.32 0.283 0.0303 1.56 2.0344 0.9964 2080017 MixCom4_000264 CCN(CC)c1cc(nc(n1)c2cccnc2)c3ccccc3F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 M17 compound treatment 0.284 0.0317 1.56 0.287 0.0343 1.77 2.3542 0.9981 2075153 MixCom4_000265 OC(CO/N=C/C1=C(Cl)c2cc(Cl)ccc2OC1)CN3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 M18 compound treatment 0.283 0.0307 1.51 0.275 0.0223 1.15 1.8825 0.9907 2080018 MixCom4_000266 Fc1ccccc1c2cc(NCc3ccccc3)nc(n2)c4cccnc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 M19 compound treatment 0.254 0.00173 0.09 0.251 -0.00169 -0.09 -0.0011 -0.0091 1173337 MixCom4_000267 Clc1cccc(Cl)c1c2noc(CN3CCOCC3)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 M20 compound treatment 0.29 0.0377 1.86 0.282 0.0293 1.51 2.3811 0.9947 2080019 MixCom4_000268 Fc1ccccc1c2cc(NCC=C)nc(n2)c3ccncc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 M21 compound treatment 0.27 0.0177 0.87 0.264 0.0113 0.58 1.0294 0.9806 2075154 MixCom4_000269 CN(C)/C=C/C(=O)c1csc(n1)c2ccc(cc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 M22 compound treatment 0.256 0.00373 0.18 0.264 0.0113 0.58 0.5418 0.8871 2080020 MixCom4_000270 Cc1nc(cc(n1)c2cccc(c2)C(F)(F)F)N3CCC4(CC3)OCCO4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 M23 mock treatment 0.254 0.00173 0.09 0.252 -6.86E-4 -0.04 0.0353 0.3825 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 M24 mock treatment 0.249 -0.00327 -0.16 0.25 -0.00269 -0.14 -0.2116 -0.9971 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 N01 compound treatment 0.248 -0.00427 -0.21 0.252 -6.86E-4 -0.04 -0.1737 -0.8145 2080021 MixCom4_000271 Cc1nc(cc(n1)c2cccc(c2)C(F)(F)F)N3CCC(O)CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 N02 compound treatment 0.252 -2.69E-4 -0.01 0.252 -6.86E-4 -0.04 -0.0344 -0.9105 1188987 MixCom4_000272 CC(C)(C)C(=O)N1CCN(CC1)C2c3ccccc3-c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 N03 compound treatment 0.256 0.00373 0.18 0.256 0.00331 0.17 0.2506 0.9993 2080023 MixCom4_000273 FC(F)(F)c1cccc(c1)c2cc(NC3CC3)nc(n2)c4ccncc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 N04 compound treatment 0.249 -0.00327 -0.16 0.254 0.00131 0.07 -0.066 -0.3781 1627910 MixCom4_000274 CN1CCN(CC1)c2ccc(NC(=O)c3ccccc3Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 N05 compound treatment 0.25 -0.00227 -0.11 0.258 0.00531 0.27 0.1144 0.3871 2080025 MixCom4_000275 OC(=O)CC1(CC(=O)N2CCc3ccccc3C2)CCCC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 N06 mock treatment 0.249 -0.00327 -0.16 0.258 0.00531 0.27 0.0796 0.2507 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 N07 compound treatment 0.25 -0.00227 -0.11 0.254 0.00131 0.07 -0.0312 -0.2389 2080026 MixCom4_000276 CS(=O)(=O)c1ccc(N2CCCCC2)c(F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 N08 mock treatment 0.252 -2.69E-4 -0.01 0.26 0.00731 0.38 0.2569 0.6818 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 N09 compound treatment 0.25 -0.00227 -0.11 0.248 -0.00469 -0.24 -0.2496 -0.9388 2080027 MixCom4_000277 CC1CN(CC(C)O1)c2ccc(cc2F)S(=O)(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 N10 mock treatment 0.252 -2.69E-4 -0.01 0.253 3.14E-4 0.02 0.002 0.0978 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 N11 compound treatment 0.249 -0.00327 -0.16 0.25 -0.00269 -0.14 -0.2116 -0.9971 2080028 MixCom4_000278 CS(=O)(=O)c1ccc(NCc2ccco2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 N12 compound treatment 0.239 -0.0133 -0.65 0.244 -0.00869 -0.45 -0.7783 -0.9829 2080032 MixCom4_000279 CCC(=O)N1CCc2nc3c(C)cccn3c(=O)c2C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 N13 compound treatment 0.253 7.31E-4 0.04 0.266 0.0133 0.69 0.5101 0.7432 2080030 MixCom4_000280 CS(=O)(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3c(F)cccc3F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 N14 compound treatment 0.251 -0.00127 -0.06 0.248 -0.00469 -0.24 -0.2148 -0.8619 2080034 MixCom4_000281 CC(C)CC(=O)N1CCc2nc3cccc(C)n3c(=O)c2C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 N15 compound treatment 0.245 -0.00727 -0.36 0.251 -0.00169 -0.09 -0.3145 -0.8538 2080031 MixCom4_000282 CS(=O)(=O)c1ccc(N2CCNCC2)c(F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 N16 compound treatment 0.251 -0.00127 -0.06 0.26 0.00731 0.38 0.222 0.5817 2080036 MixCom4_000283 CN1CCC(CC1)N(C(=O)C2CC2)c3ccc4N(CCc4c3)C(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 N17 compound treatment 0.261 0.00873 0.43 0.259 0.00631 0.33 0.5339 0.9905 2080033 MixCom4_000284 Clc1ccc(C(=O)N2CCc3nc4ccccn4c(=O)c3C2)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 N18 compound treatment 0.253 7.31E-4 0.04 0.245 -0.00769 -0.4 -0.2543 -0.6401 2080038 MixCom4_000285 COc1cccc(OC)c1C(=O)N2CCCN(Cc3ccccc3)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 N19 compound treatment 0.251 -0.00127 -0.06 0.251 -0.00169 -0.09 -0.1056 -0.987 2080035 MixCom4_000286 Clc1ccc(cc1)C(=O)N2CCc3nc4ccccn4c(=O)c3C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 N20 compound treatment 0.253 7.31E-4 0.04 0.254 0.00131 0.07 0.0733 0.9564 2080051 MixCom4_000287 CCCN1CCC(CC1)N(C2CC2)C(=O)C(c3ccccc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 N21 compound treatment 0.247 -0.00527 -0.26 0.248 -0.00469 -0.24 -0.3541 -0.9993 2080037 MixCom4_000288 Cc1cccn2c(=O)c3CN(CCc3nc12)C(=O)C4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 N22 compound treatment 0.254 0.00173 0.09 0.257 0.00431 0.22 0.2173 0.9135 2080053 MixCom4_000289 COc1ccc(cc1)c2cnc(NCCN(C)C)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 N23 mock treatment 0.266 0.0137 0.68 0.253 3.14E-4 0.02 0.4896 0.7238 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 N24 mock treatment 0.257 0.00473 0.23 0.244 -0.00869 -0.45 -0.1514 -0.3003 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 O01 compound treatment 0.252 -2.69E-4 -0.01 0.257 0.00431 0.22 0.1477 0.6637 2075155 MixCom4_000290 CN1CCN(CC1)c2ccc(CNC(=O)c3csc4ccccc34)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 O02 compound treatment 0.252 -2.69E-4 -0.01 0.252 -6.86E-4 -0.04 -0.0344 -0.9105 2080039 MixCom4_000291 OC1CCN(CC1)c2cc(nc(n2)c3ccccc3)c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 O03 compound treatment 0.248 -0.00427 -0.21 0.244 -0.00869 -0.45 -0.4649 -0.9408 2075156 MixCom4_000292 OC(CN1CCC(CC1)C(=O)c2ccc(F)cc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 O04 compound treatment 0.267 0.0147 0.73 0.264 0.0113 0.58 0.9249 0.9941 2080040 MixCom4_000293 OC1CCN(CC1)c2cc(nc(n2)c3cccnc3)c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 O05 compound treatment 0.254 0.00173 0.09 0.253 3.14E-4 0.02 0.0717 0.8264 2075157 MixCom4_000294 CN1CCN(CC1)c2ccc(CNS(=O)(=O)c3ccccc3C)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 O06 compound treatment 0.268 0.0157 0.77 0.267 0.0143 0.74 1.0689 0.9997 2080041 MixCom4_000295 CN(Cc1ccccc1)c2cc(nc(n2)c3ccncc3)c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 O07 compound treatment 0.25 -0.00227 -0.11 0.25 -0.00269 -0.14 -0.1768 -0.9944 2075158 MixCom4_000296 CN1CCN(CC1)c2ccc(CNS(=O)(=O)Cc3cccc(c3)C(F)(F)F)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 O08 compound treatment 0.258 0.00573 0.28 0.257 0.00431 0.22 0.3566 0.993 2080042 MixCom4_000297 Cc1nc(NCCC#N)cc(n1)c2ccccc2F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 O09 compound treatment 0.241 -0.0113 -0.56 0.241 -0.0117 -0.6 -0.8179 -0.9992 2075159 MixCom4_000298 Cn1cccc1CNCC(O)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 O10 compound treatment 0.249 -0.00327 -0.16 0.249 -0.00369 -0.19 -0.248 -0.9967 2080043 MixCom4_000299 CN(Cc1ccccc1)c2cc(nc(C)n2)c3ccccc3F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 O11 compound treatment 0.249 -0.00327 -0.16 0.246 -0.00669 -0.34 -0.3573 -0.9401 1677557 MixCom4_000300 CC1CCN(CC1)C(=O)CN2C(=O)c3ccccc3C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 O12 compound treatment 0.253 7.31E-4 0.04 0.256 0.00331 0.17 0.1461 0.8378 2080044 MixCom4_000301 Cc1nc(NCCc2ccccc2)cc(n1)c3ccccc3F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 O13 compound treatment 0.247 -0.00527 -0.26 0.261 0.00831 0.43 0.1191 0.238 2075160 MixCom4_000302 COc1cc2CCN(Cc2cc1OC)C(=O)C3CCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 O14 compound treatment 0.281 0.0287 1.42 0.287 0.0343 1.77 2.2497 0.994 2080045 MixCom4_000303 Fc1ccccc1c2cc(nc(n2)c3ccccc3)N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 O15 compound treatment 0.249 -0.00327 -0.16 0.253 3.14E-4 0.02 -0.1024 -0.633 2075161 MixCom4_000304 Cc1ccc(F)cc1S(=O)(=O)Nc2ccc3N4CCCC4COc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 O16 compound treatment 0.321 0.0687 3.39 0.326 0.0733 3.77 5.0625 0.9985 2080046 MixCom4_000305 Fc1ccccc1c2cc(NCc3ccncc3)nc(n2)c4cccnc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 O17 compound treatment 0.264 0.0117 0.58 0.263 0.0103 0.53 0.784 0.9991 2075162 MixCom4_000306 OC(CNCc1ccc(F)cc1)CO/N=C/C2=C(Cl)c3cc(Cl)ccc3OC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 O18 compound treatment 0.289 0.0367 1.81 0.29 0.0373 1.92 2.6375 0.9996 2080047 MixCom4_000307 Fc1ccccc1c2cc(NCc3ccco3)nc(n2)c4cccnc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 O19 compound treatment 0.238 -0.0143 -0.7 0.246 -0.00669 -0.34 -0.7404 -0.9461 1606129 MixCom4_000308 Clc1cccc(Cl)c1c2noc(CN3CCCCC3)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 O20 compound treatment 0.251 -0.00127 -0.06 0.255 0.00231 0.12 0.04 0.2975 2080048 MixCom4_000309 CN1CCN(CC1)c2cc(nc(n2)c3ccncc3)c4ccccc4F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 O21 compound treatment 0.262 0.00973 0.48 0.26 0.00731 0.38 0.6051 0.9929 2075163 MixCom4_000310 CN(C)/C=C/C(=O)c1cc(no1)c2ccc(Cl)cc2Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 O22 compound treatment 0.251 -0.00127 -0.06 0.25 -0.00269 -0.14 -0.142 -0.9356 2080049 MixCom4_000311 CCN(CC)c1cc(nc(C)n1)c2cccc(c2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 O23 mock treatment 0.247 -0.00527 -0.26 0.244 -0.00869 -0.45 -0.4997 -0.9665 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 O24 mock treatment 0.247 -0.00527 -0.26 0.225 -0.0277 -1.43 -1.1914 -0.8223 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 P01 compound treatment 0.26 0.00773 0.38 0.26 0.00731 0.38 0.5355 1.0 2080050 MixCom4_000312 Cc1nc(NCc2ccccc2)cc(n1)c3cccc(c3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 P02 compound treatment 0.234 -0.0183 -0.9 0.239 -0.0137 -0.7 -1.1345 -0.9927 2075102 MixCom4_000313 NC(=O)C1=CN(Cc2ccc(Cl)cc2)CCC1C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 P03 compound treatment 0.247 -0.00527 -0.26 0.251 -0.00169 -0.09 -0.2449 -0.8949 2080052 MixCom4_000314 COc1ccc(cc1)c2cnc(nc2)N3CCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 P04 compound treatment 0.249 -0.00327 -0.16 0.248 -0.00469 -0.24 -0.2844 -0.9807 1443609 MixCom4_000315 CN1CCN(CC1)c2ccc(NS(=O)(=O)c3ccccc3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 P05 compound treatment 0.243 -0.00927 -0.46 0.248 -0.00469 -0.24 -0.4934 -0.9556 2080054 MixCom4_000316 Fc1ccc(CC(=O)N2CCNC(=O)CC2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 P06 mock treatment 0.251 -0.00127 -0.06 0.255 0.00231 0.12 0.04 0.2975 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 P07 compound treatment 0.247 -0.00527 -0.26 0.246 -0.00669 -0.34 -0.4269 -0.9903 2080055 MixCom4_000317 CN1CCN(CC1)c2ccc(cc2F)S(=O)(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 P08 mock treatment 0.251 -0.00127 -0.06 0.254 0.00131 0.07 0.0036 0.0393 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 P09 compound treatment 0.25 -0.00227 -0.11 0.25 -0.00269 -0.14 -0.1768 -0.9944 2080056 MixCom4_000318 CN(C)CCNc1ccc(cc1)S(=O)(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 P10 compound treatment 0.234 -0.0183 -0.9 0.233 -0.0197 -1.01 -1.3529 -0.9982 2080057 MixCom4_000319 CC(C)CC(=O)N1CCc2nc3c(C)cccn3c(=O)c2C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 P11 compound treatment 0.245 -0.00727 -0.36 0.243 -0.00969 -0.5 -0.6058 -0.9868 2080058 MixCom4_000320 CS(=O)(=O)c1ccc(cc1)N2CCc3ccccc3C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 P12 compound treatment 0.237 -0.0153 -0.75 0.241 -0.0117 -0.6 -0.9572 -0.9939 2080059 MixCom4_000321 Cc1cccc2nc3CCN(Cc3c(=O)n12)C(=O)c4cccc(c4)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 P13 compound treatment 0.245 -0.00727 -0.36 0.245 -0.00769 -0.4 -0.533 -0.9988 2080060 MixCom4_000322 CS(=O)(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 P14 compound treatment 0.245 -0.00727 -0.36 0.24 -0.0127 -0.65 -0.715 -0.96 2080061 MixCom4_000323 Cc1cccc2nc3CCN(Cc3c(=O)n12)C(=O)c4ccc(cc4)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 P15 compound treatment 0.247 -0.00527 -0.26 0.248 -0.00469 -0.24 -0.3541 -0.9993 2080062 MixCom4_000324 CC(=O)N1CCCN(CC1)c2ccc(cc2)S(=O)(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 P16 compound treatment 0.243 -0.00927 -0.46 0.25 -0.00269 -0.14 -0.4206 -0.8817 2080063 MixCom4_000325 CN1CCC(CC1)N(C(=O)c2ccc(cc2)C(F)(F)F)c3ccc4N(CCc4c3)C(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 P17 compound treatment 0.251 -0.00127 -0.06 0.245 -0.00769 -0.4 -0.324 -0.8088 2080064 MixCom4_000326 O=C(Cc1ccccc1)N2CCc3nc4ccccn4c(=O)c3C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 P18 compound treatment 0.256 0.00373 0.18 0.26 0.00731 0.38 0.3962 0.9456 2080065 MixCom4_000327 COc1cccc(OC)c1CN2CCC(CC2)NCCc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 P19 compound treatment 0.246 -0.00627 -0.31 0.246 -0.00669 -0.34 -0.4617 -0.9985 2080066 MixCom4_000328 Cc1ccccc1C(=O)N2CCc3nc4ccccn4c(=O)c3C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 P20 compound treatment 0.251 -0.00127 -0.06 0.251 -0.00169 -0.09 -0.1056 -0.987 2080067 MixCom4_000329 O=C(NCCN1CCOCC1)c2cccc3cc[nH]c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 P21 compound treatment 0.245 -0.00727 -0.36 0.244 -0.00869 -0.45 -0.5694 -0.9939 2080068 MixCom4_000330 Cc1cccn2c(=O)c3CN(CCc3nc12)C(=O)Cc4cc(F)cc(F)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 P22 compound treatment 0.259 0.00673 0.33 0.256 0.00331 0.17 0.355 0.9523 2080069 MixCom4_000331 CN1CCN(CC1)c2nc3ccccc3n4ccnc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 P23 mock treatment 0.239 -0.0133 -0.65 0.242 -0.0107 -0.55 -0.8511 -0.9963 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1306 P24 mock treatment 0.232 -0.0203 -1.0 0.213 -0.0397 -2.04 -2.1506 -0.9458 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 A01 compound treatment 0.187 -0.0613 -3.02 0.192 -0.0571 -2.94 -4.2118 -0.9999 2078435 Maybridge3_005985 CCCSC(=S)c1c(C)nn(c1O)c2ccc(C)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 A02 compound treatment 0.243 -0.00529 -0.26 0.235 -0.0141 -0.72 -0.6962 -0.9048 2078436 Maybridge3_005986 CC1(C)Cc2cccc(C(=O)Nc3ccncc3)c2O1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 A03 compound treatment 0.243 -0.00529 -0.26 0.228 -0.0211 -1.08 -0.951 -0.8527 2078437 Maybridge3_005987 NC(=O)c1cnn2C(=CCNc12)c3cccc(c3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 A04 compound treatment 0.216 -0.0323 -1.59 0.221 -0.0281 -1.44 -2.1462 -0.9989 2078438 Maybridge3_005988 CC1(C)Cc2cccc(C(=O)Nc3ccc(cc3)c4csnn4)c2O1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 A05 compound treatment 0.219 -0.0293 -1.44 0.214 -0.0351 -1.81 -2.2965 -0.9938 2078439 Maybridge3_005989 COC(=O)c1sccc1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 A06 compound treatment 0.232 -0.0163 -0.8 0.226 -0.0231 -1.19 -1.4069 -0.9818 2078440 Maybridge3_005990 Fc1cc(C(=O)NCc2csc3ccccc23)c4OCOCc4c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 A07 compound treatment 0.239 -0.00929 -0.46 0.232 -0.0171 -0.88 -0.9447 -0.9538 2078441 Maybridge3_005991 Cc1ccccc1NC(=O)c2ccc3ncsc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 A08 compound treatment 0.238 -0.0103 -0.51 0.24 -0.00906 -0.47 -0.6884 -0.9991 2078442 Maybridge3_005992 Fc1cc(C(=O)NC2CC2)c3OCOCc3c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 A09 compound treatment 0.24 -0.00829 -0.41 0.237 -0.0121 -0.62 -0.7279 -0.9793 2078443 Maybridge3_005993 Cc1onc(c1CNC(=O)c2c(C)onc2c3ccc(F)cc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 A10 compound treatment 0.239 -0.00929 -0.46 0.23 -0.0191 -0.98 -1.0175 -0.9397 2078444 Maybridge3_005994 Cc1cc(nn1C)C(=O)NCc2ccc3OCCCOc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 A11 compound treatment 0.244 -0.00429 -0.21 0.239 -0.0101 -0.52 -0.5158 -0.9218 2078445 Maybridge3_005995 CC(=O)N1CCC(CC1)C(=O)Nc2ccc(cc2)N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 A12 compound treatment 0.253 0.00471 0.23 0.255 0.00594 0.31 0.3801 0.9908 2078446 Maybridge3_005996 Clc1cc(Cl)cc(Oc2ccc(o2)C(=O)N3CCN(Cc4cccnc4)CC3)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 A13 compound treatment 0.289 0.0407 2.01 0.293 0.0439 2.26 3.0172 0.9982 2078447 Maybridge3_005997 Ic1ccc(NC(=O)CCC(=O)N2CCc3ccccc23)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 A14 compound treatment 0.243 -0.00529 -0.26 0.242 -0.00706 -0.36 -0.4414 -0.9866 2078448 Maybridge3_005998 CN(Cc1ccccc1)S(=O)(=O)c2ccc(nc2)N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 A15 compound treatment 0.233 -0.0153 -0.75 0.238 -0.0111 -0.57 -0.9353 -0.9905 2078449 Maybridge3_005999 FC(F)(F)c1nn(c2ccncc12)S(=O)(=O)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 A16 compound treatment 0.23 -0.0183 -0.9 0.239 -0.0101 -0.52 -1.0034 -0.9655 2078450 Maybridge3_006000 Cc1nc(C)c(s1)S(=O)(=O)NCc2csc(n2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 A17 compound treatment 0.232 -0.0163 -0.8 0.228 -0.0211 -1.08 -1.3341 -0.989 2078451 Maybridge3_006001 OC(=O)CC1(CC(=O)NCc2ccco2)CCCCC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 A18 compound treatment 0.237 -0.0113 -0.56 0.234 -0.0151 -0.78 -0.9416 -0.9867 2078452 Maybridge3_006002 O=S(=O)(NCCc1ccccn1)c2ccc(s2)c3ccon3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 A19 compound treatment 0.216 -0.0323 -1.59 0.218 -0.0311 -1.6 -2.2554 -1.0 2078453 Maybridge3_006003 Cn1nccc1NC(=O)CC2(CC(=O)O)CCCCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 A20 compound treatment 0.222 -0.0263 -1.29 0.22 -0.0291 -1.5 -1.9736 -0.9974 2078454 Maybridge3_006004 O=C(NCc1csc(n1)c2cccs2)C3CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 A21 compound treatment 0.213 -0.0353 -1.74 0.231 -0.0181 -0.93 -1.8866 -0.9571 2078455 Maybridge3_006005 Clc1ccc(CS(=O)(=O)N2CCN(CC2)c3ncccn3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 A22 compound treatment 0.225 -0.0233 -1.15 0.241 -0.00806 -0.42 -1.1047 -0.9055 2078456 Maybridge3_006006 O=C(NCc1csc(n1)c2cccs2)C3=Cc4ccccc4OC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 A23 mock treatment 0.237 -0.0113 -0.56 0.23 -0.0191 -0.98 -1.0872 -0.9638 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 A24 mock treatment 0.178 -0.0703 -3.46 0.203 -0.0461 -2.37 -4.1249 -0.983 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 B01 compound treatment 0.245 -0.00329 -0.16 0.238 -0.0111 -0.57 -0.5174 -0.8736 2078457 Maybridge3_006007 O=C(N1CCOCC1)c2ccc(nc2)N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 B02 compound treatment 0.251 0.00271 0.13 0.241 -0.00806 -0.42 -0.1992 -0.4568 1415468 Maybridge3_006008 CC(C)(C)C(=O)NCc1ccc(cc1)c2csnn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 B03 compound treatment 0.257 0.00871 0.43 0.259 0.00994 0.51 0.665 0.9962 2078458 Maybridge3_006009 O=C(NCc1ccc2OCCc2c1)C3=Cc4ccccc4OC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 B04 compound treatment 0.257 0.00871 0.43 0.255 0.00594 0.31 0.5194 0.9862 2078459 Maybridge3_006010 O=C1C=CC(=O)N1c2ccc(cc2)c3csnn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 B05 compound treatment 0.262 0.0137 0.68 0.261 0.0119 0.61 0.9119 0.9989 2078460 Maybridge3_006011 COc1ccc(OC)c(c1)S(=O)(=O)NCc2ccc3OCCc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 B06 compound treatment 0.321 0.0727 3.58 0.332 0.0829 4.27 5.5513 0.9962 1268166 Maybridge3_006012 COc1ccc(cc1OC)c2cc(=S)sc(N)c2C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 B07 compound treatment 0.255 0.00671 0.33 0.255 0.00594 0.31 0.4497 0.9992 2078461 Maybridge3_006013 Cc1cc(c(C)s1)S(=O)(=O)NCc2nn(nc2C)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 B08 compound treatment 0.265 0.0167 0.82 0.264 0.0149 0.77 1.1256 0.9994 2078462 Maybridge3_006014 Clc1ccc(/C=N/c2ccc(cc2)c3cnco3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 B09 compound treatment 0.265 0.0167 0.82 0.264 0.0149 0.77 1.1256 0.9994 1200711 Maybridge3_006015 CSc1nc(NC(=O)C(C)C)c(C#N)n1Cc2ccco2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 B10 compound treatment 0.25 0.00171 0.08 0.249 -6.45E-5 0.0 0.0572 0.6787 2078463 Maybridge3_006016 Nc1cccc(c1)c2ncon2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 B11 compound treatment 0.256 0.00771 0.38 0.258 0.00894 0.46 0.5938 0.9955 2078464 Maybridge3_006017 CSc1nsc(SC)c1C(=O)N2CCSCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 B12 compound treatment 0.259 0.0107 0.53 0.258 0.00894 0.46 0.6983 0.9977 1610905 Maybridge3_006018 CCOC(=O)c1csc(Cc2ccc(cc2)c3csnn3)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 B13 compound treatment 0.268 0.0197 0.97 0.264 0.0149 0.77 1.2301 0.9933 2078465 Maybridge3_006019 CCOC(=O)CSCc1noc(COc2ccc(Cl)cc2Cl)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 B14 compound treatment 0.264 0.0157 0.77 0.277 0.0279 1.44 1.564 0.9577 2078466 Maybridge3_006020 COC(=O)c1ccc(cc1)c2csnn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 B15 compound treatment 0.255 0.00671 0.33 0.253 0.00394 0.2 0.3769 0.9724 2078467 Maybridge3_006021 CCOC(=O)/C=C/1\CSCC(N1)C(=O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 B16 compound treatment 0.275 0.0267 1.32 0.27 0.0209 1.08 1.6923 0.9951 1473233 Maybridge3_006022 Fc1ccc(OCCC(=O)Nc2nccs2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 B17 compound treatment 0.27 0.0217 1.07 0.269 0.0199 1.03 1.4818 0.9998 2078468 Maybridge3_006023 Cc1ccc(SC(=O)c2csnn2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 B18 compound treatment 0.259 0.0107 0.53 0.259 0.00994 0.51 0.7347 0.9999 2078469 Maybridge3_006024 Cn1c(SCc2ccc(cc2)c3nnco3)nnc1C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 B19 compound treatment 0.259 0.0107 0.53 0.261 0.0119 0.61 0.8075 0.9971 2078470 Maybridge3_006025 Nc1ccc(cc1)c2csnn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 B20 compound treatment 0.255 0.00671 0.33 0.254 0.00494 0.25 0.4133 0.9916 2078471 Maybridge3_006026 O=S(=O)(/C(=C/c1cc2ccccc2o1)/C#N)c3ccccn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 B21 compound treatment 0.26 0.0117 0.58 0.258 0.00894 0.46 0.7331 0.9937 2078472 Maybridge3_006027 CCn1cc(C(=O)OC)c(=O)c2cc(ccc12)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 B22 compound treatment 0.253 0.00471 0.23 0.251 0.00194 0.1 0.2345 0.9288 2078473 Maybridge3_006028 CSC(=O)NC(=O)c1cccc(=O)o1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 B23 mock treatment 0.257 0.00871 0.43 0.255 0.00594 0.31 0.5194 0.9862 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 B24 mock treatment 0.234 -0.0143 -0.7 0.247 -0.00206 -0.11 -0.5728 -0.8048 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 C01 compound treatment 0.222 -0.0263 -1.29 0.225 -0.0241 -1.24 -1.7916 -0.9998 2078474 Maybridge3_006029 Cc1cccc(c1)c2nc3cc(C)ccc3o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 C02 compound treatment 0.242 -0.00629 -0.31 0.239 -0.0101 -0.52 -0.5854 -0.9698 2078475 Maybridge3_006030 CC1(C)Cc2cccc(C(=O)NCc3cccnc3)c2O1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 C03 compound treatment 0.243 -0.00529 -0.26 0.24 -0.00906 -0.47 -0.5142 -0.9621 1010943 Maybridge3_006031 OC(=O)c1cncc(Br)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 C04 compound treatment 0.266 0.0177 0.87 0.263 0.0139 0.72 1.1241 0.9953 2078476 Maybridge3_006032 Cc1ccc2cc(NC(=O)c3cccc4CC(C)(C)Oc43)ccc2n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 C05 compound treatment 0.251 0.00271 0.13 0.251 0.00194 0.1 0.1648 0.9896 1007291 Maybridge3_006033 Cc1ccc(C(=O)O)c(O)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 C06 compound treatment 0.247 -0.00129 -0.06 0.244 -0.00506 -0.26 -0.2293 -0.8544 2078477 Maybridge3_006034 Fc1cc(C(=O)NCc2cccs2)c3OCOCc3c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 C07 compound treatment 0.264 0.0157 0.77 0.265 0.0159 0.82 1.1272 0.9996 2078478 Maybridge3_006035 FC(F)(F)c1ccc(NC(=O)c2ccc3ncsc3c2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 C08 compound treatment 0.257 0.00871 0.43 0.255 0.00594 0.31 0.5194 0.9862 2078479 Maybridge3_006036 O=C(NCC1CCCO1)c2cccc3OCCCOc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 C09 compound treatment 0.249 7.1E-4 0.03 0.253 0.00394 0.2 0.168 0.817 2078480 Maybridge3_006037 Cc1onc(c1CNC(=O)c2ccccc2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 C10 compound treatment 0.255 0.00671 0.33 0.254 0.00494 0.25 0.4133 0.9916 2078481 Maybridge3_006038 CN1CCN(CC1)c2ccc(CNC(=O)c3cc4c(C)nn(C)c4s3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 C11 compound treatment 0.245 -0.00329 -0.16 0.246 -0.00306 -0.16 -0.2261 -0.9999 2078482 Maybridge3_006039 CC(=O)N1CCC(CC1)C(=O)NCc2ccc(cc2)n3cccn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 C12 compound treatment 0.27 0.0217 1.07 0.276 0.0269 1.39 1.7366 0.9918 2078483 Maybridge3_006040 O=C(NCc1csc(n1)c2cccs2)c3nc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 C13 compound treatment 0.316 0.0677 3.33 0.323 0.0739 3.81 5.0496 0.9978 2078484 Maybridge3_006041 COC(=O)C1=CC=C(SC1)c2ccc(OC)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 C14 compound treatment 0.272 0.0237 1.17 0.28 0.0309 1.59 1.9519 0.9884 2078485 Maybridge3_006042 CC1CCCN(C1)S(=O)(=O)c2ccc(nc2)N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 C15 compound treatment 0.238 -0.0103 -0.51 0.239 -0.0101 -0.52 -0.7248 -0.9999 2078486 Maybridge3_006043 Cc1ccc(cc1)S(=O)(=O)n2nc(c3cnccc23)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 C16 compound treatment 0.252 0.00371 0.18 0.257 0.00794 0.41 0.4181 0.9342 2078487 Maybridge3_006044 CN1CCOc2cc(ccc12)S(=O)(=O)NCc3csc(n3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 C17 compound treatment 0.255 0.00671 0.33 0.255 0.00594 0.31 0.4497 0.9992 2078488 Maybridge3_006045 OC(=O)CC1(CC(=O)NCc2ccoc2)CCCCC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 C18 compound treatment 0.28 0.0317 1.56 0.279 0.0299 1.54 2.1941 1.0 2078489 Maybridge3_006046 O=C(NCCc1ccccn1)c2cn(c3ccccc23)S(=O)(=O)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 C19 compound treatment 0.247 -0.00129 -0.06 0.246 -0.00306 -0.16 -0.1565 -0.9201 2078490 Maybridge3_006047 OC(=O)CC1(CC(=O)Nc2cscc2S(=O)(=O)c3ccccc3)CCCCC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 C20 compound treatment 0.245 -0.00329 -0.16 0.246 -0.00306 -0.16 -0.2261 -0.9999 2078491 Maybridge3_006048 CCC(=O)NCc1csc(n1)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 C21 compound treatment 0.238 -0.0103 -0.51 0.238 -0.0111 -0.57 -0.7612 -0.9983 2078492 Maybridge3_006049 Clc1ccc(CS(=O)(=O)NCc2cccnc2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 C22 compound treatment 0.246 -0.00229 -0.11 0.246 -0.00306 -0.16 -0.1913 -0.9865 2078493 Maybridge3_006050 O=C(Cc1cccc2ccccc12)NCc3csc(n3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 C23 mock treatment 0.244 -0.00429 -0.21 0.243 -0.00606 -0.31 -0.3702 -0.9819 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 C24 mock treatment 0.223 -0.0253 -1.25 0.235 -0.0141 -0.72 -1.3928 -0.9667 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 D01 compound treatment 0.244 -0.00429 -0.21 0.245 -0.00406 -0.21 -0.2974 -1.0 2078494 Maybridge3_006051 O=C(N1CCCC1)c2ccc(nc2)N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 D02 compound treatment 0.245 -0.00329 -0.16 0.249 -6.45E-5 0.0 -0.1169 -0.7214 1296331 Maybridge3_006052 O=C(NCc1ccc(cc1)c2csnn2)C3CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 D03 compound treatment 0.252 0.00371 0.18 0.254 0.00494 0.25 0.3089 0.9869 2078495 Maybridge3_006053 Cn1nc(cc1C(=O)NCc2ccc3OCCc3c2)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 D04 compound treatment 0.266 0.0177 0.87 0.269 0.0199 1.03 1.3425 0.9967 1522139 Maybridge3_006054 O=C1CSC(N1c2ccc(cc2)c3csnn3)c4cccnc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 D05 compound treatment 0.253 0.00471 0.23 0.25 9.35E-4 0.05 0.1981 0.8361 2078496 Maybridge3_006055 Cc1nn(C)c(C)c1S(=O)(=O)NCc2ccc3OCCc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 D06 compound treatment 0.267 0.0187 0.92 0.275 0.0259 1.34 1.5957 0.9836 1649031 Maybridge3_006056 Cc1ccccc1C(=O)Oc2ccc(cc2)c3csnn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 D07 compound treatment 0.263 0.0147 0.72 0.26 0.0109 0.56 0.9104 0.9922 2078497 Maybridge3_006057 CCOC(=O)c1nnn(c1O)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 D08 compound treatment 0.254 0.00571 0.28 0.256 0.00694 0.36 0.4513 0.993 2078498 Maybridge3_006058 C(=N/c1ccc(cc1)c2cnco2)\c3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 D09 compound treatment 0.256 0.00771 0.38 0.257 0.00794 0.41 0.5574 0.9993 2078499 Maybridge3_006059 CSc1nsc(SC)c1C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 D10 compound treatment 0.263 0.0147 0.72 0.261 0.0119 0.61 0.9468 0.9966 2078500 Maybridge3_006060 Clc1ccc(cc1)C(=O)Nc2cccc(c2)c3ncon3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 D11 compound treatment 0.254 0.00571 0.28 0.257 0.00794 0.41 0.4877 0.9834 1283284 Maybridge3_006061 CCOC(=O)C1CCCCN1C(=O)c2c(SC)nsc2SC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 D12 compound treatment 0.274 0.0257 1.27 0.278 0.0289 1.49 1.9487 0.9967 1670723 Maybridge3_006062 CC(C)c1ccc(NC(=O)c2ccc(cc2)c3csnn3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 D13 compound treatment 0.272 0.0237 1.17 0.274 0.0249 1.28 1.7334 0.9989 2078501 Maybridge3_006063 Cc1nnsc1c2nc(CSc3ccc(Cl)cc3)no2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 D14 compound treatment 0.249 7.1E-4 0.03 0.253 0.00394 0.2 0.168 0.817 2078502 Maybridge3_006064 CCOC(=O)c1ncoc1c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 D15 compound treatment 0.259 0.0107 0.53 0.258 0.00894 0.46 0.6983 0.9977 1058745 Maybridge3_006065 c1snnc1c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 D16 compound treatment 0.253 0.00471 0.23 0.256 0.00694 0.36 0.4165 0.9782 1357596 Maybridge3_006066 Fc1ccc(OCCC(=O)N2CCSCC2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 D17 compound treatment 0.266 0.0177 0.87 0.265 0.0159 0.82 1.1969 0.9995 2078503 Maybridge3_006067 Clc1ccc(OC(=O)c2csnn2)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 D18 compound treatment 0.261 0.0127 0.63 0.258 0.00894 0.46 0.7679 0.9885 1168977 Maybridge3_006068 O=C(Oc1ccc(cc1)c2csnn2)c3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 D19 compound treatment 0.257 0.00871 0.43 0.254 0.00494 0.25 0.483 0.9687 1205634 Maybridge3_006069 Cc1noc(C)c1c2nc(CSc3ccc(C)cc3)no2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 D20 compound treatment 0.262 0.0137 0.68 0.26 0.0109 0.56 0.8755 0.9959 2078504 Maybridge3_006070 CC(C)(C)S(=O)(=O)/C(=C/c1cc2ccccc2o1)/C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 D21 compound treatment 0.25 0.00171 0.08 0.252 0.00294 0.15 0.1664 0.9619 2078505 Maybridge3_006071 Cc1noc(C)c1c2nc(CSCc3ccc(Cl)cc3)no2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 D22 compound treatment 0.252 0.00371 0.18 0.252 0.00294 0.15 0.2361 0.9956 2078506 Maybridge3_006072 C/C(=N\O)/c1oc(C)nc1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 D23 mock treatment 0.251 0.00271 0.13 0.248 -0.00106 -0.05 0.0556 0.3855 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 D24 mock treatment 0.236 -0.0123 -0.61 0.243 -0.00606 -0.31 -0.6488 -0.9526 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 E01 compound treatment 0.244 -0.00429 -0.21 0.245 -0.00406 -0.21 -0.2974 -1.0 2078507 Maybridge3_006073 Cc1ccc2oc(nc2c1)c3cccc(Cl)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 E02 compound treatment 0.246 -0.00229 -0.11 0.247 -0.00206 -0.11 -0.1549 -0.9996 2078508 Maybridge3_006074 CC1(C)Cc2cccc(C(=O)Nc3ccc(F)cc3F)c2O1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 E03 compound treatment 0.254 0.00571 0.28 0.253 0.00394 0.2 0.3421 0.9871 1032444 Maybridge3_006075 CC(=O)Oc1c(C)cccc1C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 E04 compound treatment 0.248 -2.9E-4 -0.01 0.246 -0.00306 -0.16 -0.1217 -0.768 2078509 Maybridge3_006076 CC1(C)Cc2cccc(C(=O)Nc3cccnc3)c2O1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 E05 compound treatment 0.263 0.0147 0.72 0.259 0.00994 0.51 0.874 0.9855 1323327 Maybridge3_006077 CN(C(=O)C)c1cccc(c1)c2ccc3nnc(C)n3n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 E06 compound treatment 0.252 0.00371 0.18 0.259 0.00994 0.51 0.4909 0.9038 2078510 Maybridge3_006078 Fc1cc(C(=O)NCc2csc(n2)c3ccccc3)c4OCOCc4c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 E07 compound treatment 0.251 0.00271 0.13 0.255 0.00594 0.31 0.3104 0.931 2078511 Maybridge3_006079 Cc1onc(c1CNC(=O)C2CCCCC2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 E08 compound treatment 0.269 0.0207 1.02 0.267 0.0179 0.92 1.3742 0.9988 2078512 Maybridge3_006080 O=C(NCc1ccc2OCOc2c1)c3cccc4OCCCOc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 E09 compound treatment 0.258 0.00971 0.48 0.252 0.00294 0.15 0.445 0.8873 2078513 Maybridge3_006081 Cc1onc(c1CNC(=O)CCC(=O)O)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 E10 compound treatment 0.256 0.00771 0.38 0.256 0.00694 0.36 0.521 0.9995 2078514 Maybridge3_006082 CN1CCN(CC1)c2ccc(CNC(=O)c3snnc3C)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 E11 compound treatment 0.244 -0.00429 -0.21 0.249 -6.45E-5 0.0 -0.1518 -0.7181 2078515 Maybridge3_006083 CC(=O)N1CCC(CC1)C(=O)Nc2ccc(cc2)c3cnco3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 E12 compound treatment 0.275 0.0267 1.32 0.283 0.0339 1.75 2.1656 0.9902 2078516 Maybridge3_006084 Cc1nccc(n1)c2cccc(NC(=O)c3nc4ccccc4s3)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 E13 compound treatment 0.257 0.00871 0.43 0.256 0.00694 0.36 0.5558 0.9958 2078517 Maybridge3_006085 CCc1c(C)c(C)[nH]c1C(=O)OCc2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 E14 compound treatment 0.253 0.00471 0.23 0.252 0.00294 0.15 0.2709 0.9784 2078518 Maybridge3_006086 O=S(=O)(N1CCSCC1)c2ccc(nc2)N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 E15 compound treatment 0.257 0.00871 0.43 0.258 0.00894 0.46 0.6286 0.9994 2078519 Maybridge3_006087 COc1ccc(CNC(=O)CC2(CC(=O)O)CCCCC2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 E16 compound treatment 0.257 0.00871 0.43 0.256 0.00694 0.36 0.5558 0.9958 2078520 Maybridge3_006088 Cc1c(cnn1c2ccccc2)S(=O)(=O)NCc3csc(n3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 E17 compound treatment 0.262 0.0137 0.68 0.258 0.00894 0.46 0.8027 0.9825 2078521 Maybridge3_006089 OC(=O)CC1(CC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)CCCCC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 E18 compound treatment 0.26 0.0117 0.58 0.259 0.00994 0.51 0.7695 0.9982 2078522 Maybridge3_006090 COc1ccc(cc1)n2ncc(C(=O)NCCc3ccccn3)c2C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 E19 compound treatment 0.256 0.00771 0.38 0.254 0.00494 0.25 0.4482 0.9809 2078523 Maybridge3_006091 OC(=O)CC1(CC(=O)Nc2ccc3COC(=O)c3c2)CCCCC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 E20 compound treatment 0.26 0.0117 0.58 0.255 0.00594 0.31 0.6239 0.9559 2078524 Maybridge3_006092 COc1ccccc1CC(=O)NCc2csc(n2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 E21 compound treatment 0.261 0.0127 0.63 0.262 0.0129 0.67 0.9135 0.9995 2078525 Maybridge3_006093 Clc1ccc(CS(=O)(=O)NCc2cccs2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 E22 compound treatment 0.254 0.00571 0.28 0.254 0.00494 0.25 0.3785 0.9987 2078526 Maybridge3_006094 O=C(NCc1csc(n1)c2cccs2)C3CCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 E23 mock treatment 0.251 0.00271 0.13 0.248 -0.00106 -0.05 0.0556 0.3855 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 E24 mock treatment 0.242 -0.00629 -0.31 0.251 0.00194 0.1 -0.1486 -0.4567 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 F01 compound treatment 0.25 0.00171 0.08 0.251 0.00194 0.1 0.13 0.9965 2078527 Maybridge3_006095 COc1ccc(NC(=O)c2ccc(nc2)N3CCOCC3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 F02 compound treatment 0.256 0.00771 0.38 0.259 0.00994 0.51 0.6302 0.9892 2078528 Maybridge3_006096 C=CC(=O)NCc1ccc(cc1)c2csnn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 F03 compound treatment 0.258 0.00971 0.48 0.258 0.00894 0.46 0.6634 0.9998 2078529 Maybridge3_006097 Cc1ccc(cc1C)C(=O)NCc2ccc3OCCc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 F04 compound treatment 0.252 0.00371 0.18 0.256 0.00694 0.36 0.3817 0.9516 2078530 Maybridge3_006098 O=C(NCCc1cccs1)C2CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 F05 compound treatment 0.264 0.0157 0.77 0.265 0.0159 0.82 1.1272 0.9996 2078531 Maybridge3_006099 Cc1nc(C)c(s1)S(=O)(=O)NCc2ccc(cc2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 F06 compound treatment 0.256 0.00771 0.38 0.263 0.0139 0.72 0.7758 0.9558 1690021 Maybridge3_006100 Cc1noc(C)c1C(=O)Oc2ccc(cc2)c3csnn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 F07 compound treatment 0.256 0.00771 0.38 0.262 0.0129 0.67 0.7394 0.9645 2078532 Maybridge3_006101 CCOC(=O)c1nnn(c1Sc2ccccn2)c3cc(Cl)cc(Cl)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 F08 compound treatment 0.265 0.0167 0.82 0.265 0.0159 0.82 1.162 1.0 2078533 Maybridge3_006102 FC(F)(F)c1ccc(cc1)C2NCCc3sccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 F09 compound treatment 0.257 0.00871 0.43 0.257 0.00794 0.41 0.5922 0.9997 2078534 Maybridge3_006103 CSc1nsc(SC)c1CO 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 F10 compound treatment 0.261 0.0127 0.63 0.26 0.0109 0.56 0.8407 0.9986 1426938 Maybridge3_006104 CC(C)(C)C(=O)Nc1cccc(c1)c2ncon2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 F11 compound treatment 0.258 0.00971 0.48 0.26 0.0109 0.56 0.7362 0.9967 2078535 Maybridge3_006105 Clc1ccc(SCc2ncon2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 F12 compound treatment 0.256 0.00771 0.38 0.259 0.00994 0.51 0.6302 0.9892 1354010 Maybridge3_006106 COc1ccccc1NC(=O)c2ccc(cc2)c3csnn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 F13 compound treatment 0.269 0.0207 1.02 0.267 0.0179 0.92 1.3742 0.9988 2078536 Maybridge3_006107 Cc1nnsc1c2nc(CSc3ccccn3)no2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 F14 compound treatment 0.255 0.00671 0.33 0.254 0.00494 0.25 0.4133 0.9916 2078537 Maybridge3_006108 CCOC(=O)c1ncoc1c2ccc(cc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 F15 compound treatment 0.262 0.0137 0.68 0.268 0.0189 0.97 1.1668 0.9839 1380935 Maybridge3_006109 CC(C)(C)c1ccc(s1)c2nc(CSc3ccccn3)no2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 F16 compound treatment 0.28 0.0317 1.56 0.285 0.0359 1.85 2.4125 0.9965 2078538 Maybridge3_006110 Cn1c(SCc2ccc(cc2)c3csnn3)nnc1C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 F17 compound treatment 0.265 0.0167 0.82 0.268 0.0189 0.97 1.2712 0.9965 2078539 Maybridge3_006111 CCCS(=O)(=O)/C(=C/c1cc(cc(c1)C(F)(F)F)C(F)(F)F)/C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 F18 compound treatment 0.259 0.0107 0.53 0.26 0.0109 0.56 0.7711 0.9995 2078540 Maybridge3_006112 O=C(Sc1ccccc1)c2cccc(=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 F19 compound treatment 0.278 0.0297 1.46 0.262 0.0129 0.67 1.5056 0.9365 1648307 Maybridge3_006113 O=C(Nc1ccc(cc1)c2csnn2)C3CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 F20 compound treatment 0.256 0.00771 0.38 0.252 0.00294 0.15 0.3754 0.9185 2078541 Maybridge3_006114 Cc1nc(C)c(o1)c2ccn(n2)S(=O)(=O)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 F21 compound treatment 0.284 0.0357 1.76 0.279 0.0299 1.54 2.3334 0.9978 2078542 Maybridge3_006115 FC(F)(F)c1ccccc1C(=O)NCc2ccc(cc2)c3csnn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 F22 compound treatment 0.259 0.0107 0.53 0.259 0.00994 0.51 0.7347 0.9999 2078543 Maybridge3_006116 Clc1ccc(SCc2ccsc2C#N)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 F23 mock treatment 0.259 0.0107 0.53 0.256 0.00694 0.36 0.6255 0.9819 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 F24 mock treatment 0.249 7.1E-4 0.03 0.248 -0.00106 -0.05 -0.014 -0.2159 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 G01 compound treatment 0.244 -0.00429 -0.21 0.247 -0.00206 -0.11 -0.2246 -0.9494 1043122 Maybridge3_006117 COc1ccc(cc1)C(=O)C2CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 G02 compound treatment 0.258 0.00971 0.48 0.257 0.00794 0.41 0.627 0.9969 2078544 Maybridge3_006118 CC1(C)Cc2cccc(C(=O)Nc3ccc(cc3)S(=O)(=O)N)c2O1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 G03 compound treatment 0.253 0.00471 0.23 0.252 0.00294 0.15 0.2709 0.9784 1354713 Maybridge3_006119 CCCC(=O)c1ccc(NC(=O)C)cc1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 G04 compound treatment 0.254 0.00571 0.28 0.255 0.00594 0.31 0.4149 0.9991 2078545 Maybridge3_006120 Cn1nccc1NC(=O)c2cccc3CC(C)(C)Oc32 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 G05 compound treatment 0.251 0.00271 0.13 0.245 -0.00406 -0.21 -0.0536 -0.2159 2078546 Maybridge3_006121 CCCCc1nc(CO)c[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 G06 compound treatment 0.251 0.00271 0.13 0.253 0.00394 0.2 0.2376 0.9795 2078547 Maybridge3_006122 Fc1cc(C(=O)NCc2ccc(cc2)n3cccn3)c4OCOCc4c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 G07 compound treatment 0.254 0.00571 0.28 0.251 0.00194 0.1 0.2693 0.9027 2078548 Maybridge3_006123 Cc1onc(c1CNC(=O)C2CC2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 G08 compound treatment 0.262 0.0137 0.68 0.261 0.0119 0.61 0.9119 0.9989 2078549 Maybridge3_006124 COc1cccc(NC(=O)c2cccc3OCCCOc23)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 G09 compound treatment 0.247 -0.00129 -0.06 0.249 -6.45E-5 0.0 -0.0473 -0.743 2078550 Maybridge3_006125 Cc1onc(c1CNS(=O)(=O)c2ccc(C)cc2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 G10 compound treatment 0.255 0.00671 0.33 0.257 0.00794 0.41 0.5225 0.9945 2078551 Maybridge3_006126 CN1CCN(CC1)c2ccc(CNC(=O)c3ccno3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 G11 compound treatment 0.264 0.0157 0.77 0.258 0.00894 0.46 0.8724 0.9692 2078552 Maybridge3_006127 C1COc2cc(ccc2O1)c3nc(cs3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 G12 compound treatment 0.252 0.00371 0.18 0.252 0.00294 0.15 0.2361 0.9956 2078553 Maybridge3_006128 COc1cc2CCN(Cc2cc1OC)C(=O)c3cc(nn3C)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 G13 compound treatment 0.251 0.00271 0.13 0.249 -6.45E-5 0.0 0.092 0.6893 2078554 Maybridge3_006129 Fc1ccc(cc1)C2CCCN2S(=O)(=O)c3cccc4nonc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 G14 compound treatment 0.253 0.00471 0.23 0.253 0.00394 0.2 0.3073 0.9977 2078555 Maybridge3_006130 O=S(=O)(NCc1csc(n1)c2cccs2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 G15 compound treatment 0.254 0.00571 0.28 0.254 0.00494 0.25 0.3785 0.9987 2078556 Maybridge3_006131 OC(=O)CC1(CC(=O)NCc2ccccc2)CCCCC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 G16 compound treatment 0.258 0.00971 0.48 0.256 0.00694 0.36 0.5906 0.9896 2078557 Maybridge3_006132 Cc1cc(c(C)s1)S(=O)(=O)NCc2csc(n2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 G17 compound treatment 0.261 0.0127 0.63 0.26 0.0109 0.56 0.8407 0.9986 2078558 Maybridge3_006133 COc1ccc(cc1NC(=O)CC2(CC(=O)O)CCCCC2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 G18 compound treatment 0.254 0.00571 0.28 0.259 0.00994 0.51 0.5605 0.9603 2078559 Maybridge3_006134 Cc1nn(C)c2sc(cc12)C(=O)NCCc3ccccn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 G19 compound treatment 0.267 0.0187 0.92 0.27 0.0209 1.08 1.4137 0.997 2078560 Maybridge3_006135 OC(=O)CC1(CC(=O)Nc2cccc3nsnc23)CCCCC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 G20 compound treatment 0.246 -0.00229 -0.11 0.254 0.00494 0.25 0.0999 0.3594 2078561 Maybridge3_006136 O=C(NCc1csc(n1)c2cccs2)c3cccc4OCCCOc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 G21 compound treatment 0.269 0.0207 1.02 0.272 0.0229 1.18 1.5562 0.9973 2078562 Maybridge3_006137 O=S(=O)(N1CCCCC1c2cccnc2)c3ccc4OCCOc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 G22 compound treatment 0.252 0.00371 0.18 0.251 0.00194 0.1 0.1997 0.9593 2078563 Maybridge3_006138 O=C(NCc1csc(n1)c2cccs2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 G23 mock treatment 0.251 0.00271 0.13 0.25 9.35E-4 0.05 0.1284 0.9051 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 G24 mock treatment 0.249 7.1E-4 0.03 0.25 9.35E-4 0.05 0.0588 0.9876 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 H01 compound treatment 0.247 -0.00129 -0.06 0.249 -6.45E-5 0.0 -0.0473 -0.743 2078564 Maybridge3_006139 O=C(NCC1CCCO1)c2ccc(nc2)N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 H02 compound treatment 0.253 0.00471 0.23 0.254 0.00494 0.25 0.3437 0.999 2078565 Maybridge3_006140 CSc1nsc(SC)c1C(=O)NC(=O)OCc2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 H03 compound treatment 0.249 7.1E-4 0.03 0.25 9.35E-4 0.05 0.0588 0.9876 2078566 Maybridge3_006141 CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc2ccc3OCCc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 H04 compound treatment 0.253 0.00471 0.23 0.256 0.00694 0.36 0.4165 0.9782 1637765 Maybridge3_006142 Clc1ccc(cc1)C2N(CCc3sccc23)C(=O)C4CC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 H05 compound treatment 0.268 0.0197 0.97 0.271 0.0219 1.13 1.4849 0.9972 2078567 Maybridge3_006143 Cc1nn(C)c2sc(cc12)C(=O)NCc3ccc(cc3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 H06 compound treatment 0.265 0.0167 0.82 0.263 0.0139 0.72 1.0892 0.9977 1347672 Maybridge3_006144 O=C(Oc1ccc(cc1)c2csnn2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 H07 compound treatment 0.261 0.0127 0.63 0.261 0.0119 0.61 0.8771 1.0 2078568 Maybridge3_006145 COC(=O)c1nnn(c1O)c2cc(Cl)cc(Cl)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 H08 compound treatment 0.258 0.00971 0.48 0.26 0.0109 0.56 0.7362 0.9967 2078569 Maybridge3_006146 OC(=O)/C=C/C(=O)Nc1ccc(cc1)c2cnco2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 H09 compound treatment 0.255 0.00671 0.33 0.255 0.00594 0.31 0.4497 0.9992 1676043 Maybridge3_006147 CCOC(=O)COc1cccc(NC(=O)c2ccccc2Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 H10 compound treatment 0.248 -2.9E-4 -0.01 0.247 -0.00206 -0.11 -0.0853 -0.7951 2078570 Maybridge3_006148 Fc1ccc(c(F)c1)S(=O)(=O)Nc2cccc(c2)c3ncon3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 H11 compound treatment 0.257 0.00871 0.43 0.258 0.00894 0.46 0.6286 0.9994 2078571 Maybridge3_006149 Cc1cc(SCc2ncon2)c(C)cc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 H12 compound treatment 0.255 0.00671 0.33 0.251 0.00194 0.1 0.3041 0.8811 1605652 Maybridge3_006150 O=C(NCc1ccco1)c2ccc(cc2)c3csnn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 H13 compound treatment 0.25 0.00171 0.08 0.253 0.00394 0.2 0.2028 0.9243 2078572 Maybridge3_006151 COC(=O)c1sc(cc1CS(=O)(=O)c2ccc(C)cc2)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 H14 compound treatment 0.279 0.0307 1.51 0.281 0.0319 1.64 2.2321 0.9991 1363503 Maybridge3_006152 Clc1ccc(cc1)c2ocnc2C(=O)Nc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 H15 compound treatment 0.26 0.0117 0.58 0.26 0.0109 0.56 0.8059 0.9999 1649141 Maybridge3_006153 CC(C)Oc1cccc(NC(=O)c2csnn2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 H16 compound treatment 0.257 0.00871 0.43 0.257 0.00794 0.41 0.5922 0.9997 1175960 Maybridge3_006154 Fc1ccc(OCCc2nc(no2)c3ccc(Cl)cc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 H17 compound treatment 0.276 0.0277 1.36 0.286 0.0369 1.9 2.3096 0.9868 2078573 Maybridge3_006155 Clc1ccc(cc1)S(=O)(=O)Cc2ccc(cc2)c3csnn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 H18 compound treatment 0.251 0.00271 0.13 0.256 0.00694 0.36 0.3468 0.9099 2078574 Maybridge3_006156 O=C(Nc1ccccc1)c2cccc(=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 H19 compound treatment 0.265 0.0167 0.82 0.262 0.0129 0.67 1.0528 0.9945 2078575 Maybridge3_006157 CC(C)(C)C(=O)Nc1ccc(cc1)c2csnn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 H20 compound treatment 0.257 0.00871 0.43 0.258 0.00894 0.46 0.6286 0.9994 2078576 Maybridge3_006158 COc1ccc(cc1)C(=O)n2ccc(n2)c3oc(C)nc3C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 H21 compound treatment 0.286 0.0377 1.86 0.281 0.0319 1.64 2.4758 0.9982 1476885 Maybridge3_006159 O=C(NCc1ccc(cc1)c2csnn2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 H22 compound treatment 0.252 0.00371 0.18 0.252 0.00294 0.15 0.2361 0.9956 2078577 Maybridge3_006160 Clc1ccc(cc1)S(=O)Cc2ccsc2C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 H23 mock treatment 0.255 0.00671 0.33 0.255 0.00594 0.31 0.4497 0.9992 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 H24 mock treatment 0.25 0.00171 0.08 0.257 0.00794 0.41 0.3484 0.8353 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 I01 compound treatment 0.244 -0.00429 -0.21 0.245 -0.00406 -0.21 -0.2974 -1.0 1177416 Maybridge3_006161 CCOC(=O)Cc1csc(N)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 I02 compound treatment 0.243 -0.00529 -0.26 0.246 -0.00306 -0.16 -0.2958 -0.9711 2078578 Maybridge3_006162 Cc1cccc(NC(=O)c2cccc3CC(C)(C)Oc32)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 I03 compound treatment 0.256 0.00771 0.38 0.256 0.00694 0.36 0.521 0.9995 2078579 Maybridge3_006163 OC(=O)Cc1ccc(OC(F)(F)F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 I04 compound treatment 0.251 0.00271 0.13 0.249 -6.45E-5 0.0 0.092 0.6893 2078580 Maybridge3_006164 O=C(NCc1cccnc1)c2cccc3OCCCOc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 I05 compound treatment 0.253 0.00471 0.23 0.255 0.00594 0.31 0.3801 0.9908 2078581 Maybridge3_006165 CC(C)(C)OC(=O)N1CSCC1C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 I06 compound treatment 0.256 0.00771 0.38 0.252 0.00294 0.15 0.3754 0.9185 2078582 Maybridge3_006166 CN1CCN(CC1)c2ccc(CNC(=O)c3cc(F)cc4COCOc34)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 I07 compound treatment 0.248 -2.9E-4 -0.01 0.25 9.35E-4 0.05 0.0239 0.4766 2078583 Maybridge3_006167 Cc1onc(c1CNC(=O)C2COc3ccccc3O2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 I08 compound treatment 0.271 0.0227 1.12 0.278 0.0289 1.49 1.8442 0.99 2078584 Maybridge3_006168 O=C(Nc1cccc(c1)n2cccc2)c3cccc4OCCCOc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 I09 compound treatment 0.246 -0.00229 -0.11 0.256 0.00694 0.36 0.1727 0.4612 2078585 Maybridge3_006169 Cc1onc(c1CNS(=O)(=O)c2ccc3OCCc3c2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 I10 compound treatment 0.258 0.00971 0.48 0.257 0.00794 0.41 0.627 0.9969 2078586 Maybridge3_006170 CCc1ccccc1n2c(SCC(O)C(F)(F)F)nc3ccccc3c2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 I11 compound treatment 0.264 0.0157 0.77 0.264 0.0149 0.77 1.0908 1.0 2078587 Maybridge3_006171 CS(=O)(=O)c1ccc(cc1)c2csc(n2)c3ccc4OCCOc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 I12 compound treatment 0.276 0.0277 1.36 0.269 0.0199 1.03 1.6907 0.9901 2078588 Maybridge3_006172 Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)NCc3ccc(cc3)S(=O)(=O)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 I13 compound treatment 0.257 0.00871 0.43 0.255 0.00594 0.31 0.5194 0.9862 2078589 Maybridge3_006173 Cc1nnc(o1)c2cccc(c2)S(=O)(=O)N3CCCC3c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 I14 compound treatment 0.256 0.00771 0.38 0.256 0.00694 0.36 0.521 0.9995 2078590 Maybridge3_006174 O=S(=O)(Cc1ccccc1)NCc2csc(n2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 I15 compound treatment 0.249 7.1E-4 0.03 0.25 9.35E-4 0.05 0.0588 0.9876 2078591 Maybridge3_006175 O=C(Nc1ccc2nsnc2c1)c3ccccc3N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 I16 compound treatment 0.25 0.00171 0.08 0.253 0.00394 0.2 0.2028 0.9243 2078592 Maybridge3_006176 O=S(=O)(NCCc1ccccn1)c2cccc3nsnc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 I17 compound treatment 0.266 0.0177 0.87 0.269 0.0199 1.03 1.3425 0.9967 2078593 Maybridge3_006177 OC(=O)CC1(CC(=O)Nc2ccc3OCCCOc3c2)CCCCC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 I18 compound treatment 0.244 -0.00429 -0.21 0.234 -0.0151 -0.78 -0.6978 -0.8681 2078594 Maybridge3_006178 CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc2ccc3nccnc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 I19 compound treatment 0.258 0.00971 0.48 0.254 0.00494 0.25 0.5178 0.9562 2078595 Maybridge3_006179 OC(=O)CC1(CC(=O)Nc2ccccc2n3cccn3)CCCCC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 I20 compound treatment 0.26 0.0117 0.58 0.261 0.0119 0.61 0.8423 0.9995 2078596 Maybridge3_006180 O=C(NCc1csc(n1)c2cccs2)c3ccc4OCCc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 I21 compound treatment 0.267 0.0187 0.92 0.27 0.0209 1.08 1.4137 0.997 2078597 Maybridge3_006181 O=S(=O)(N1CCCCC1c2cccnc2)c3ccc4nsnc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 I22 compound treatment 0.256 0.00771 0.38 0.255 0.00594 0.31 0.4846 0.9942 2078598 Maybridge3_006182 Cc1ccc(cc1C)C(=O)NCc2csc(n2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 I23 mock treatment 0.256 0.00771 0.38 0.256 0.00694 0.36 0.521 0.9995 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 I24 mock treatment 0.253 0.00471 0.23 0.255 0.00594 0.31 0.3801 0.9908 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 J01 compound treatment 0.247 -0.00129 -0.06 0.246 -0.00306 -0.16 -0.1565 -0.9201 2078599 Maybridge3_006183 O=C(NCc1ccsc1)c2ccc(nc2)N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 J02 compound treatment 0.245 -0.00329 -0.16 0.241 -0.00806 -0.42 -0.4082 -0.9158 2078600 Maybridge3_006184 OC(=O)/C=C/C(=O)Nc1ccc(cc1)c2csnn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 J03 compound treatment 0.252 0.00371 0.18 0.248 -0.00106 -0.05 0.0904 0.4741 2078601 Maybridge3_006185 Cc1nc(C)c(s1)S(=O)(=O)NCc2ccc3OCCc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 J04 compound treatment 0.253 0.00471 0.23 0.252 0.00294 0.15 0.2709 0.9784 2078602 Maybridge3_006186 c1snnc1c2ccc(cc2)c3noc(n3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 J05 compound treatment 0.252 0.00371 0.18 0.253 0.00394 0.2 0.2725 0.9987 2078603 Maybridge3_006187 Cc1nn(nc1CNC(=O)C2CCC2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 J06 compound treatment 0.275 0.0267 1.32 0.269 0.0199 1.03 1.6559 0.9925 1343304 Maybridge3_006188 CC(C)(C)c1ccc(OC(=O)NC(=O)c2ccc(cc2)c3csnn3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 J07 compound treatment 0.242 -0.00629 -0.31 0.253 0.00394 0.2 -0.0758 -0.2048 2078604 Maybridge3_006189 COc1ccccc1N/C(=N\C#N)/SC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 J08 compound treatment 0.258 0.00971 0.48 0.259 0.00994 0.51 0.6998 0.9994 2078605 Maybridge3_006190 N/C(=N\O)/COc1ccc(cc1)c2csnn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 J09 compound treatment 0.266 0.0177 0.87 0.262 0.0129 0.67 1.0877 0.9911 1183397 Maybridge3_006191 Clc1ccc2sc(nc2c1)N3CCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 J10 compound treatment 0.251 0.00271 0.13 0.247 -0.00206 -0.11 0.0192 0.1126 2078606 Maybridge3_006192 O=C(Nc1cccc(c1)c2ncon2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 J11 compound treatment 0.254 0.00571 0.28 0.259 0.00994 0.51 0.5605 0.9603 1349843 Maybridge3_006193 CC1CN(CC(C)O1)c2nc3c(Cl)cc(Cl)cc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 J12 compound treatment 0.242 -0.00629 -0.31 0.244 -0.00506 -0.26 -0.4034 -0.9963 2078607 Maybridge3_006194 Clc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)c3nnco3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 J13 compound treatment 0.243 -0.00529 -0.26 0.245 -0.00406 -0.21 -0.3322 -0.9941 1538087 Maybridge3_006195 CC(CC(=O)O)S(=O)(=O)c1ccc(Cl)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 J14 compound treatment 0.253 0.00471 0.23 0.251 0.00194 0.1 0.2345 0.9288 2078608 Maybridge3_006196 Clc1ccc(cc1)c2ocnc2C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 J15 compound treatment 0.255 0.00671 0.33 0.256 0.00694 0.36 0.4861 0.9993 2078609 Maybridge3_006197 Clc1ccc(cc1)c2noc(n2)c3csnn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 J16 compound treatment 0.247 -0.00129 -0.06 0.25 9.35E-4 0.05 -0.0109 -0.1365 1335753 Maybridge3_006198 COc1ccc(cc1)C(=O)NCCc2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 J17 compound treatment 0.266 0.0177 0.87 0.268 0.0189 0.97 1.3061 0.9985 2078610 Maybridge3_006199 Clc1ccc(OCc2ccc(cc2)c3csnn3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 J18 compound treatment 0.249 7.1E-4 0.03 0.253 0.00394 0.2 0.168 0.817 2078611 Maybridge3_006200 Cc1nc(C)c(o1)c2cc[nH]n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 J19 compound treatment 0.28 0.0317 1.56 0.285 0.0359 1.85 2.4125 0.9965 2078612 Maybridge3_006201 FC(F)(F)c1ccccc1C(=O)Nc2ccc(cc2)c3csnn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 J20 compound treatment 0.254 0.00571 0.28 0.251 0.00194 0.1 0.2693 0.9027 2078613 Maybridge3_006202 Cc1nc(C)c(o1)c2ccn(n2)C(=O)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 J21 compound treatment 0.253 0.00471 0.23 0.255 0.00594 0.31 0.3801 0.9908 2078614 Maybridge3_006203 Cc1noc(C)c1C(=O)NCc2ccc(cc2)c3csnn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 J22 compound treatment 0.252 0.00371 0.18 0.249 -6.45E-5 0.0 0.1268 0.6941 1346615 Maybridge3_006204 Cc1oc(nc1c2ccccc2)C(=O)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 J23 mock treatment 0.248 -2.9E-4 -0.01 0.252 0.00294 0.15 0.0967 0.6374 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 J24 mock treatment 0.25 0.00171 0.08 0.252 0.00294 0.15 0.1664 0.9619 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 K01 compound treatment 0.251 0.00271 0.13 0.249 -6.45E-5 0.0 0.092 0.6893 1882 Maybridge3_006205 c1ccc(nc1)c2ccccn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 K02 compound treatment 0.252 0.00371 0.18 0.249 -6.45E-5 0.0 0.1268 0.6941 2078615 Maybridge3_006206 CC1(C)Cc2cccc(C(=O)NCc3ccco3)c2O1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 K03 compound treatment 0.254 0.00571 0.28 0.253 0.00394 0.2 0.3421 0.9871 2078616 Maybridge3_006207 CCC(=O)c1ccc(cc1)c2ccccc2F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 K04 compound treatment 0.275 0.0267 1.32 0.271 0.0219 1.13 1.7287 0.9971 2078617 Maybridge3_006208 O=C(Nc1cc2ccccc2cn1)c3cccc4OCCCOc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 K05 compound treatment 0.246 -0.00229 -0.11 0.256 0.00694 0.36 0.1727 0.4612 1668568 Maybridge3_006209 CC(C)(C)OC(=O)NC1(CC1)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 K06 compound treatment 0.28 0.0317 1.56 0.273 0.0239 1.23 1.9757 0.9931 2078618 Maybridge3_006210 Fc1cc(C(=O)Nc2cccc(Cl)c2)c3OCOCc3c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 K07 compound treatment 0.246 -0.00229 -0.11 0.247 -0.00206 -0.11 -0.1549 -0.9996 2078619 Maybridge3_006211 Cc1onc(c1CNC(=O)c2cc(F)cc3COCOc23)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 K08 compound treatment 0.258 0.00971 0.48 0.261 0.0119 0.61 0.7726 0.9923 2078620 Maybridge3_006212 O=C(N(Cc1ccccn1)Cc2ccccn2)c3cccc4OCCCOc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 K09 compound treatment 0.25 0.00171 0.08 0.25 9.35E-4 0.05 0.0936 0.9649 2078621 Maybridge3_006213 Cc1nc(C)c(s1)S(=O)(=O)NCc2c(C)onc2c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 K10 compound treatment 0.254 0.00571 0.28 0.252 0.00294 0.15 0.3057 0.9576 2078622 Maybridge3_006214 Cc1cc(c(o1)C(F)(F)F)S(=O)(=O)NC2CCCCNC2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 K11 compound treatment 0.252 0.00371 0.18 0.25 9.35E-4 0.05 0.1633 0.864 2078623 Maybridge3_006215 CC(=O)Nc1cc2cc(NC(=O)c3ccccc3C(F)(F)F)ccc2oc1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 K12 compound treatment 0.253 0.00471 0.23 0.25 9.35E-4 0.05 0.1981 0.8361 2078624 Maybridge3_006216 O=S(=O)(NC1CCCCC1)c2ccc(nc2)N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 K13 compound treatment 0.238 -0.0103 -0.51 0.238 -0.0111 -0.57 -0.7612 -0.9983 2078625 Maybridge3_006217 FC(F)(F)c1nn(C(=O)Nc2cccc(c2)C(F)(F)F)c3ccncc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 K14 compound treatment 0.255 0.00671 0.33 0.254 0.00494 0.25 0.4133 0.9916 2078626 Maybridge3_006218 O=S(=O)(NCc1csc(n1)c2cccs2)c3ccc4OCCc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 K15 compound treatment 0.26 0.0117 0.58 0.256 0.00694 0.36 0.6603 0.9734 2078627 Maybridge3_006219 OC(=O)CC1(CC(=O)NCc2csc(n2)c3cccs3)CCCCC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 K16 compound treatment 0.252 0.00371 0.18 0.248 -0.00106 -0.05 0.0904 0.4741 2078628 Maybridge3_006220 O=S(=O)(NCCc1ccccn1)c2ccc3OCCCOc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 K17 compound treatment 0.255 0.00671 0.33 0.257 0.00794 0.41 0.5225 0.9945 1381039 Maybridge3_006221 OC(=O)CC1(CC(=O)Nc2cc(Cl)cc(Cl)c2)CCCCC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 K18 compound treatment 0.252 0.00371 0.18 0.257 0.00794 0.41 0.4181 0.9342 2078629 Maybridge3_006222 O=C(Nc1ccc2nccnc2c1)c3ccc4nsnc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 K19 compound treatment 0.242 -0.00629 -0.31 0.242 -0.00706 -0.36 -0.4762 -0.9968 2078630 Maybridge3_006223 FC(F)(F)c1cccc(CS(=O)(=O)NCc2cccs2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 K20 compound treatment 0.247 -0.00129 -0.06 0.247 -0.00206 -0.11 -0.1201 -0.9698 2078631 Maybridge3_006224 Cc1nnsc1C(=O)NCc2csc(n2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 K21 compound treatment 0.248 -2.9E-4 -0.01 0.251 0.00194 0.1 0.0603 0.5995 2078632 Maybridge3_006225 Cc1nc(cn1C)S(=O)(=O)N2CCCCC2c3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 K22 compound treatment 0.254 0.00571 0.28 0.251 0.00194 0.1 0.2693 0.9027 2078633 Maybridge3_006226 Fc1ccc(C(=O)NCc2csc(n2)c3cccs3)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 K23 mock treatment 0.251 0.00271 0.13 0.25 9.35E-4 0.05 0.1284 0.9051 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 K24 mock treatment 0.247 -0.00129 -0.06 0.255 0.00594 0.31 0.1711 0.5483 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 L01 compound treatment 0.241 -0.00729 -0.36 0.245 -0.00406 -0.21 -0.4019 -0.967 2078634 Maybridge3_006227 O=C(NCc1cc2ccccc2s1)c3ccc(nc3)N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 L02 compound treatment 0.25 0.00171 0.08 0.253 0.00394 0.2 0.2028 0.9243 1513030 Maybridge3_006228 OC(=O)CSCC(=O)Nc1ccc(cc1)c2csnn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 L03 compound treatment 0.253 0.00471 0.23 0.252 0.00294 0.15 0.2709 0.9784 2078635 Maybridge3_006229 Cc1nc(cn1C)S(=O)(=O)NCc2ccc3OCCc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 L04 compound treatment 0.308 0.0597 2.94 0.307 0.0579 2.98 4.1885 1.0 2078636 Maybridge3_006230 Cc1csc(n1)c2ccc(cc2)c3csnn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 L05 compound treatment 0.255 0.00671 0.33 0.26 0.0109 0.56 0.6318 0.9678 2078637 Maybridge3_006231 Cc1nn(nc1CNC(=O)C2=Cc3ccccc3OC2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 L06 compound treatment 0.256 0.00771 0.38 0.252 0.00294 0.15 0.3754 0.9185 2078638 Maybridge3_006232 CC(C)(C)C(=O)Oc1ccc(cc1)c2csnn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 L07 compound treatment 0.25 0.00171 0.08 0.249 -6.45E-5 0.0 0.0572 0.6787 2078639 Maybridge3_006233 CCOC(=O)c1c(N)onc1c2c(Cl)cccc2Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 L08 compound treatment 0.262 0.0137 0.68 0.258 0.00894 0.46 0.8027 0.9825 2078640 Maybridge3_006234 O=C(Nc1cccc(c1)c2nnco2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 L09 compound treatment 0.255 0.00671 0.33 0.259 0.00994 0.51 0.5954 0.9777 1540794 Maybridge3_006235 CC(C)Nc1nc2cc(Cl)ccc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 L10 compound treatment 0.253 0.00471 0.23 0.286 0.0369 1.9 1.5086 0.7875 2078641 Maybridge3_006236 COC(=O)c1ccccc1Sc2nc3ccc(Cl)cc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 L11 compound treatment 0.249 7.1E-4 0.03 0.247 -0.00206 -0.11 -0.0504 -0.4508 2078642 Maybridge3_006237 CN(C)C(=O)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 L12 compound treatment 0.294 0.0457 2.25 0.301 0.0519 2.67 3.4825 0.9963 2078643 Maybridge3_006238 Clc1cccc(CNC(=O)c2ccc(cc2)c3csnn3)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 L13 compound treatment 0.253 0.00471 0.23 0.247 -0.00206 -0.11 0.0889 0.3483 1587441 Maybridge3_006239 CC(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 L14 compound treatment 0.245 -0.00329 -0.16 0.247 -0.00206 -0.11 -0.1897 -0.9791 1559427 Maybridge3_006240 Fc1ccc(OCCC(=O)Nc2ccc(Cl)cc2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 L15 compound treatment 0.252 0.00371 0.18 0.252 0.00294 0.15 0.2361 0.9956 2078644 Maybridge3_006241 FC(F)(F)c1ccc(cc1)c2noc(n2)c3csnn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 L16 compound treatment 0.249 7.1E-4 0.03 0.249 -6.45E-5 0.0 0.0224 0.637 1306539 Maybridge3_006242 COc1ccc(cc1)C2N(CCc3sccc23)C(=O)c4c(C)noc4C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 L17 compound treatment 0.26 0.0117 0.58 0.263 0.0139 0.72 0.9151 0.9941 2078645 Maybridge3_006243 Fc1ccc(/C=C(\C#N)/S(=O)(=O)c2ccccc2)c(F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 L18 compound treatment 0.251 0.00271 0.13 0.248 -0.00106 -0.05 0.0556 0.3855 2078646 Maybridge3_006244 CCOC(=O)c1ncoc1c2ccco2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 L19 compound treatment 0.266 0.0177 0.87 0.266 0.0169 0.87 1.2333 1.0 1146607 Maybridge3_006245 Clc1ccc(cc1)C(=O)Nc2ccc(cc2)c3csnn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 L20 compound treatment 0.259 0.0107 0.53 0.256 0.00694 0.36 0.6255 0.9819 1395750 Maybridge3_006246 CC(C)(C)NCC(O)COc1ccc(cc1)c2csnn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 L21 compound treatment 0.263 0.0147 0.72 0.268 0.0189 0.97 1.2016 0.9893 1440906 Maybridge3_006247 Fc1ccc(cc1Cl)S(=O)(=O)NCc2ccc(cc2)c3csnn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 L22 compound treatment 0.257 0.00871 0.43 0.256 0.00694 0.36 0.5558 0.9958 2078647 Maybridge3_006248 O/N=C/C1=C(Cl)c2cc(Cl)ccc2SC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 L23 mock treatment 0.254 0.00571 0.28 0.254 0.00494 0.25 0.3785 0.9987 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 L24 mock treatment 0.251 0.00271 0.13 0.25 9.35E-4 0.05 0.1284 0.9051 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 M01 compound treatment 0.238 -0.0103 -0.51 0.245 -0.00406 -0.21 -0.5063 -0.9234 1112350 Maybridge3_006249 c1cc(ccn1)c2ccncc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 M02 compound treatment 0.248 -2.9E-4 -0.01 0.245 -0.00406 -0.21 -0.1581 -0.7537 2078648 Maybridge3_006250 CC1(C)Cc2cccc(C(=O)NCC3COc4ccccc4O3)c2O1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 M03 compound treatment 0.249 7.1E-4 0.03 0.249 -6.45E-5 0.0 0.0224 0.637 1037012 Maybridge3_006251 OCCN(CCO)c1cccc(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 M04 compound treatment 0.247 -0.00129 -0.06 0.245 -0.00406 -0.21 -0.1929 -0.8821 2078649 Maybridge3_006252 Cn1cccc1CNC(=O)c2cc(F)cc3COCOc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 M05 compound treatment 0.245 -0.00329 -0.16 0.242 -0.00706 -0.36 -0.3718 -0.9337 1166531 Maybridge3_006253 OC(=O)C1(CC1)NC(=O)OCC2c3ccccc3-c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 M06 compound treatment 0.246 -0.00229 -0.11 0.237 -0.0121 -0.62 -0.5189 -0.8221 2078650 Maybridge3_006254 Fc1cc(C(=O)NC2CCCCC2)c3OCOCc3c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 M07 compound treatment 0.246 -0.00229 -0.11 0.244 -0.00506 -0.26 -0.2641 -0.9298 2078651 Maybridge3_006255 Cc1onc(c1CNC(=O)c2ccco2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 M08 compound treatment 0.251 0.00271 0.13 0.26 0.0109 0.56 0.4924 0.8511 2078652 Maybridge3_006256 FC(F)(Sc1ccccc1)C(=O)c2cnc3ccccn23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 M09 compound treatment 0.236 -0.0123 -0.61 0.247 -0.00206 -0.11 -0.5032 -0.8187 2078653 Maybridge3_006257 CC(=O)N1CCC(CC1)C(=O)NCc2c(C)onc2c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 M10 compound treatment 0.523 0.275 13.53 0.522 0.273 14.05 19.5028 0.9998 2078654 Maybridge3_006258 CN1CCOc2cc(/C=C/3\C(=O)Nc4ccccc34)ccc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 M11 compound treatment 0.335 0.0867 4.27 0.314 0.0649 3.34 5.3836 0.9927 2078655 Maybridge3_006259 COc1ccccc1Nc2snc3[nH]c(cc23)C(=O)c4ccc(C)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 M12 compound treatment 0.25 0.00171 0.08 0.248 -0.00106 -0.05 0.0208 0.2069 2078656 Maybridge3_006260 O=S(=O)(NCc1ccsc1)c2ccc(nc2)N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 M13 compound treatment 0.248 -2.9E-4 -0.01 0.248 -0.00106 -0.05 -0.0489 -0.8627 2078657 Maybridge3_006261 FC(F)(F)c1nn(C(=O)Nc2ccc(Cl)cc2)c3ccncc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 M14 compound treatment 0.248 -2.9E-4 -0.01 0.247 -0.00206 -0.11 -0.0853 -0.7951 2078658 Maybridge3_006262 Cn1cnc(c1)S(=O)(=O)NCc2csc(n2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 M15 compound treatment 0.249 7.1E-4 0.03 0.235 -0.0141 -0.72 -0.4873 -0.6722 2078659 Maybridge3_006263 OC(=O)CC1(CC(=O)NCC2COc3ccccc3O2)CCCCC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 M16 compound treatment 0.248 -2.9E-4 -0.01 0.249 -6.45E-5 0.0 -0.0125 -0.8488 2078660 Maybridge3_006264 O=S(=O)(NCCc1ccccn1)c2cc(cs2)S(=O)(=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 M17 compound treatment 0.251 0.00271 0.13 0.254 0.00494 0.25 0.274 0.9548 2078661 Maybridge3_006265 OC(=O)CC1(CC(=O)Nc2ccc3ccccc3n2)CCCCC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 M18 compound treatment 0.269 0.0207 1.02 0.268 0.0189 0.97 1.4106 0.9997 2078662 Maybridge3_006266 Clc1ccc(Oc2ncccc2C(=O)Nc3ccc4nccnc4c3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 M19 compound treatment 0.278 0.0297 1.46 0.284 0.0349 1.8 2.3064 0.9948 2078663 Maybridge3_006267 O=C(Nc1ccc(cc1)c2nc3ccccc3s2)c4ccno4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 M20 compound treatment 0.259 0.0107 0.53 0.261 0.0119 0.61 0.8075 0.9971 2078664 Maybridge3_006268 O=C(NCc1csc(n1)c2cccs2)c3ccc4nsnc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 M21 compound treatment 0.249 7.1E-4 0.03 0.251 0.00194 0.1 0.0952 0.9013 2078665 Maybridge3_006269 CSc1c(c(N)nn1C(=O)C2CC2)c3ccccn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 M22 compound treatment 0.25 0.00171 0.08 0.248 -0.00106 -0.05 0.0208 0.2069 2078666 Maybridge3_006270 O=C1NC2(CCN(CC2)S(=O)(=O)c3cccs3)Oc4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 M23 mock treatment 0.247 -0.00129 -0.06 0.242 -0.00706 -0.36 -0.3021 -0.8183 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 M24 mock treatment 0.242 -0.00629 -0.31 0.243 -0.00606 -0.31 -0.4398 -1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 N01 compound treatment 0.242 -0.00629 -0.31 0.24 -0.00906 -0.47 -0.549 -0.9802 2078667 Maybridge3_006271 O=C(NCc1ccc(s1)c2cccs2)c3ccc(nc3)N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 N02 compound treatment 0.242 -0.00629 -0.31 0.232 -0.0171 -0.88 -0.8403 -0.902 2078668 Maybridge3_006272 Nc1cccc(c1)c2cnco2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 N03 compound treatment 0.24 -0.00829 -0.41 0.246 -0.00306 -0.16 -0.4003 -0.9144 2078669 Maybridge3_006273 Cc1noc(C)c1S(=O)(=O)NCc2ccc3OCCc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 N04 compound treatment 0.264 0.0157 0.77 0.263 0.0139 0.72 1.0544 0.9993 2078670 Maybridge3_006274 CC(C)(C)c1csc(n1)c2ccc(cc2)c3csnn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 N05 compound treatment 0.247 -0.00129 -0.06 0.246 -0.00306 -0.16 -0.1565 -0.9201 2078671 Maybridge3_006275 Cc1nn(nc1CNS(=O)(=O)c2cccs2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 N06 compound treatment 0.232 -0.0163 -0.8 0.248 -0.00106 -0.05 -0.6061 -0.7536 2078672 Maybridge3_006276 O=C(Oc1ccc(cc1)c2csnn2)C3CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 N07 compound treatment 0.226 -0.0223 -1.1 0.242 -0.00706 -0.36 -1.0335 -0.8936 1120951 Maybridge3_006277 CCOC(=O)c1c(NC(=O)C)nc(SC)n1Cc2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 N08 compound treatment 0.228 -0.0203 -1.0 0.244 -0.00506 -0.26 -0.891 -0.8627 1254965 Maybridge3_006278 CC(=O)Nc1cccc(c1)c2nnco2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 N09 compound treatment 0.275 0.0267 1.32 0.28 0.0309 1.59 2.0563 0.9955 1562802 Maybridge3_006279 CSc1nsc(SC)c1C(=O)Nc2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 N10 compound treatment 0.252 0.00371 0.18 0.236 -0.0131 -0.67 -0.3464 -0.497 2078673 Maybridge3_006280 CC(C)S(=O)(=O)c1nnn(c1N)c2cc(Cl)cc(Cl)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 N11 compound treatment 0.261 0.0127 0.63 0.261 0.0119 0.61 0.8771 1.0 1533469 Maybridge3_006281 CN(C)C(=O)Oc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 N12 compound treatment 0.245 -0.00329 -0.16 0.244 -0.00506 -0.26 -0.299 -0.9738 2078674 Maybridge3_006282 Fc1cccc(Cl)c1/C=N/c2cccc(c2)c3ncon3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 N13 compound treatment 0.239 -0.00929 -0.46 0.236 -0.0131 -0.67 -0.7991 -0.9824 2078675 Maybridge3_006283 CC(CC(=O)Oc1ccc(cc1)C(F)(F)F)S(=O)(=O)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 N14 compound treatment 0.24 -0.00829 -0.41 0.239 -0.0101 -0.52 -0.6551 -0.993 1426127 Maybridge3_006284 COc1cc(NC(=O)CCOc2ccc(F)cc2)cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 N15 compound treatment 0.239 -0.00929 -0.46 0.239 -0.0101 -0.52 -0.6899 -0.9981 2078676 Maybridge3_006285 FC(F)(F)c1ccc(cc1)c2csnn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 N16 compound treatment 0.244 -0.00429 -0.21 0.23 -0.0191 -0.98 -0.8434 -0.8401 1127085 Maybridge3_006286 COc1ccc(cc1)C2N(CCc3sccc23)C(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 N17 compound treatment 0.254 0.00571 0.28 0.25 9.35E-4 0.05 0.2329 0.8163 2078677 Maybridge3_006287 N/C(=N\O)/CCS(=O)(=O)c1ccc(Cl)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 N18 compound treatment 0.242 -0.00629 -0.31 0.246 -0.00306 -0.16 -0.3306 -0.951 2078678 Maybridge3_006288 Cc1cc(oc(=O)c1)C(=O)Nc2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 N19 compound treatment 0.25 0.00171 0.08 0.252 0.00294 0.15 0.1664 0.9619 1360738 Maybridge3_006289 CSc1nsc(SC)c1C(=O)Nc2ccc(cc2)c3csnn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 N20 compound treatment 0.247 -0.00129 -0.06 0.241 -0.00806 -0.42 -0.3385 -0.806 2078679 Maybridge3_006290 O=C(NC(=O)c1cccc(=O)o1)Oc2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 N21 compound treatment 0.247 -0.00129 -0.06 0.236 -0.0131 -0.67 -0.5205 -0.7705 2078680 Maybridge3_006291 CC(C)(C)S(=O)(=O)/C(=C/c1ccc(F)c(Cl)c1)/C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 N22 compound treatment 0.246 -0.00229 -0.11 0.246 -0.00306 -0.16 -0.1913 -0.9865 2078681 Maybridge3_006292 Cc1ccc(C)n1c2ccc(/C=C(/C#N)\S(=O)(=O)C(C)(C)C)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 N23 mock treatment 0.251 0.00271 0.13 0.248 -0.00106 -0.05 0.0556 0.3855 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 N24 mock treatment 0.253 0.00471 0.23 0.252 0.00294 0.15 0.2709 0.9784 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 O01 compound treatment 0.243 -0.00529 -0.26 0.242 -0.00706 -0.36 -0.4414 -0.9866 2078682 Maybridge3_006293 NC(=O)c1cnn2c(ccnc12)c3cccc(c3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 O02 compound treatment 0.244 -0.00429 -0.21 0.239 -0.0101 -0.52 -0.5158 -0.9218 2078683 Maybridge3_006294 CC1(C)Cc2cccc(C(=O)NCc3cccs3)c2O1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 O03 compound treatment 0.242 -0.00629 -0.31 0.245 -0.00406 -0.21 -0.367 -0.9817 1020957 Maybridge3_006295 C1CCC(CC1)Nc2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 O04 compound treatment 0.25 0.00171 0.08 0.249 -6.45E-5 0.0 0.0572 0.6787 2078684 Maybridge3_006296 Cc1cc(CNC(=O)c2cc(F)cc3COCOc23)no1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 O05 compound treatment 0.278 0.0297 1.46 0.285 0.0359 1.85 2.3428 0.9933 2078685 Maybridge3_006297 Nc1c(sc2nc(cc(c12)C(F)(F)F)c3ccccc3)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 O06 compound treatment 0.249 7.1E-4 0.03 0.251 0.00194 0.1 0.0952 0.9013 2078686 Maybridge3_006298 COc1ccc(NC(=O)c2cc(F)cc3COCOc23)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 O07 compound treatment 0.242 -0.00629 -0.31 0.24 -0.00906 -0.47 -0.549 -0.9802 2078687 Maybridge3_006299 Cc1onc(c1CNC(=O)c2cnn(c2C)c3ccccc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 O08 compound treatment 0.256 0.00771 0.38 0.25 9.35E-4 0.05 0.3026 0.7905 2078688 Maybridge3_006300 Cn1ccnc1SC(F)(F)C(=O)c2cnc3ccccn23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 O09 compound treatment 0.257 0.00871 0.43 0.256 0.00694 0.36 0.5558 0.9958 1113582 Maybridge3_006301 COc1ccc(cc1)c2onc3ccc(Br)cc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 O10 compound treatment 0.262 0.0137 0.68 0.26 0.0109 0.56 0.8755 0.9959 2078689 Maybridge3_006302 CC(C)(C)C(=O)Nc1ncccc1/C=C/2\C(=O)Nc3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 O11 compound treatment 0.234 -0.0143 -0.7 0.241 -0.00806 -0.42 -0.7913 -0.9683 2078690 Maybridge3_006303 COC(=O)c1c(C)csc1NC(=O)CSCc2c(F)cccc2Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 O12 compound treatment 0.264 0.0157 0.77 0.268 0.0189 0.97 1.2364 0.9935 2078691 Maybridge3_006304 O=S(=O)(NCc1ccc(s1)c2cccs2)c3ccc(nc3)N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 O13 compound treatment 0.239 -0.00929 -0.46 0.241 -0.00806 -0.42 -0.6171 -0.9988 2078692 Maybridge3_006305 FC(F)(F)c1nn(c2ccncc12)S(=O)(=O)c3cccc(c3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 O14 compound treatment 0.249 7.1E-4 0.03 0.246 -0.00306 -0.16 -0.0868 -0.5374 2078693 Maybridge3_006306 O=S(=O)(NCc1csc(n1)c2cccs2)c3cccc4cccnc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 O15 compound treatment 0.243 -0.00529 -0.26 0.246 -0.00306 -0.16 -0.2958 -0.9711 2078694 Maybridge3_006307 OC(=O)CC1(CC(=O)NCc2cc(F)cc3COCOc23)CCCCC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 O16 compound treatment 0.258 0.00971 0.48 0.258 0.00894 0.46 0.6634 0.9998 2078695 Maybridge3_006308 Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)NCCc3ccccn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 O17 compound treatment 0.25 0.00171 0.08 0.249 -6.45E-5 0.0 0.0572 0.6787 2078696 Maybridge3_006309 OC(=O)CC1(CC(=O)Nc2ccc3sccc3c2)CCCCC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 O18 compound treatment 0.255 0.00671 0.33 0.258 0.00894 0.46 0.559 0.9868 2078697 Maybridge3_006310 O=C(NCc1csc(n1)c2cccs2)C3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 O19 compound treatment 0.244 -0.00429 -0.21 0.24 -0.00906 -0.47 -0.4794 -0.9358 2078698 Maybridge3_006311 OC(=O)CSCC(=O)Nc1ccc(cc1)c2nc3ccccc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 O20 compound treatment 0.239 -0.00929 -0.46 0.239 -0.0101 -0.52 -0.6899 -0.9981 2078699 Maybridge3_006312 Cc1cc(no1)C(=O)NCc2csc(n2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 O21 compound treatment 0.24 -0.00829 -0.41 0.247 -0.00206 -0.11 -0.3639 -0.8624 2078700 Maybridge3_006313 CSc1c(c(N)nn1C(=O)c2cccs2)c3ccccn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 O22 compound treatment 0.242 -0.00629 -0.31 0.243 -0.00606 -0.31 -0.4398 -1.0 2078701 Maybridge3_006314 Nc1cc(nn1S(=O)(=O)c2ccc(F)c(F)c2)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 O23 mock treatment 0.249 7.1E-4 0.03 0.248 -0.00106 -0.05 -0.014 -0.2159 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 O24 mock treatment 0.252 0.00371 0.18 0.251 0.00194 0.1 0.1997 0.9593 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 P01 compound treatment 0.238 -0.0103 -0.51 0.236 -0.0131 -0.67 -0.834 -0.9903 2078702 Maybridge3_006315 O=C(NCC1CCNCC1)c2ccno2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 P02 compound treatment 0.249 7.1E-4 0.03 0.249 -6.45E-5 0.0 0.0224 0.637 2078703 Maybridge3_006316 Clc1ccc(/C=N/c2ccc(cc2)c3csnn3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 P03 compound treatment 0.242 -0.00629 -0.31 0.247 -0.00206 -0.11 -0.2942 -0.8983 2078704 Maybridge3_006317 Cc1cc(c(C)s1)S(=O)(=O)NCc2ccc3OCCc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 P04 compound treatment 0.25 0.00171 0.08 0.248 -0.00106 -0.05 0.0208 0.2069 2078705 Maybridge3_006318 c1snnc1c2ccc(cc2)c3csnn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 P05 compound treatment 0.241 -0.00729 -0.36 0.243 -0.00606 -0.31 -0.4747 -0.9976 2078706 Maybridge3_006319 Cc1nn(nc1CNS(=O)(=O)c2cccc3ccccc23)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 P06 compound treatment 0.291 0.0427 2.1 0.286 0.0369 1.9 2.832 0.9987 2078707 Maybridge3_006320 NC(=O)c1ccc(s1)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 P07 compound treatment 0.242 -0.00629 -0.31 0.242 -0.00706 -0.36 -0.4762 -0.9968 1523106 Maybridge3_006321 CCOC(=O)c1c(N)nc(SC)n1Cc2ccco2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 P08 compound treatment 0.254 0.00571 0.28 0.252 0.00294 0.15 0.3057 0.9576 1607915 Maybridge3_006322 CC(C)(C)C(=O)Nc1cccc(c1)c2nnco2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 P09 compound treatment 0.252 0.00371 0.18 0.248 -0.00106 -0.05 0.0904 0.4741 2078708 Maybridge3_006323 CSc1nsc(SC)c1C(=O)NC(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 P10 compound treatment 0.245 -0.00329 -0.16 0.245 -0.00406 -0.21 -0.2626 -0.992 2078709 Maybridge3_006324 FC(F)(F)c1ccc(c(Cl)c1)S(=O)(=O)Nc2ccccn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 P11 compound treatment 0.248 -2.9E-4 -0.01 0.24 -0.00906 -0.47 -0.3401 -0.7284 1527207 Maybridge3_006325 CN(C)C(=O)Oc1cccc(NC(=O)c2c(F)cccc2F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 P12 compound treatment 0.243 -0.00529 -0.26 0.242 -0.00706 -0.36 -0.4414 -0.9866 2078710 Maybridge3_006326 N#Cc1ccc(/C=N/c2cccc(c2)c3ncon3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 P13 compound treatment 0.244 -0.00429 -0.21 0.247 -0.00206 -0.11 -0.2246 -0.9494 1258268 Maybridge3_006327 CC(CC(=O)Oc1ccc(C#N)cc1)S(=O)(=O)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 P14 compound treatment 0.234 -0.0143 -0.7 0.238 -0.0111 -0.57 -0.9005 -0.9945 2078711 Maybridge3_006328 CC1=C(SCCO1)C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 P15 compound treatment 0.245 -0.00329 -0.16 0.247 -0.00206 -0.11 -0.1897 -0.9791 2078712 Maybridge3_006329 FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2csnn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 P16 compound treatment 0.244 -0.00429 -0.21 0.242 -0.00706 -0.36 -0.4066 -0.9666 1614756 Maybridge3_006330 COc1ccc(cc1)C2N(CCc3sccc23)C(=O)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 P17 compound treatment 0.254 0.00571 0.28 0.252 0.00294 0.15 0.3057 0.9576 1410339 Maybridge3_006331 O=C(Nc1ccc(cc1)c2cnco2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 P18 compound treatment 0.243 -0.00529 -0.26 0.243 -0.00606 -0.31 -0.405 -0.996 2078713 Maybridge3_006332 Cc1nc(C)c(o1)c2ccn(n2)C(=O)c3ccc(cc3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 P19 compound treatment 0.255 0.00671 0.33 0.251 0.00194 0.1 0.3041 0.8811 1546222 Maybridge3_006333 O=C(Nc1ccc(cc1)c2csnn2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 P20 compound treatment 0.244 -0.00429 -0.21 0.246 -0.00306 -0.16 -0.261 -0.9896 2078714 Maybridge3_006334 Cc1nc(C)c(o1)c2ccnc(N)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 P21 compound treatment 0.249 7.1E-4 0.03 0.25 9.35E-4 0.05 0.0588 0.9876 2078715 Maybridge3_006335 O/N=C/c1ccc(F)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 P22 compound treatment 0.245 -0.00329 -0.16 0.24 -0.00906 -0.47 -0.4446 -0.8999 2078716 Maybridge3_006336 CS(=O)(=O)/C(=C/c1ccsc1\C=C(/C#N)\S(=O)(=O)C)/C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 P23 mock treatment 0.247 -0.00129 -0.06 0.242 -0.00706 -0.36 -0.3021 -0.8183 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1448 P24 mock treatment 0.258 0.00971 0.48 0.255 0.00594 0.31 0.5542 0.9766 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 A01 compound treatment 0.208 -0.0368 -1.81 0.186 -0.058 -2.99 -3.3955 -0.9714 2078717 Maybridge3_006337 COC(=O)c1sc-2c(CSc3ccc(Cl)cc23)c1N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 A02 compound treatment 0.23 -0.0148 -0.73 0.215 -0.029 -1.49 -1.5736 -0.9458 2078718 Maybridge3_006338 NC(=O)c1sc(C#N)c(c2ccco2)c1c3ccco3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 A03 compound treatment 0.24 -0.00484 -0.24 0.237 -0.00703 -0.36 -0.4245 -0.9794 2078719 Maybridge3_006339 FC(F)(F)c1cccc(NC(=O)CCSc2cccs2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 A04 compound treatment 0.244 -8.39E-4 -0.04 0.234 -0.01 -0.52 -0.3944 -0.7612 2078720 Maybridge3_006340 CCN(CC)C(=O)c1ccc(s1)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 A05 compound treatment 0.21 -0.0348 -1.72 0.205 -0.039 -2.01 -2.6342 -0.9969 2078721 Maybridge3_006341 CC(=O)n1cc(c(C)n1)c2nsc(Nc3ccccc3)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 A06 compound treatment 0.222 -0.0228 -1.12 0.216 -0.028 -1.44 -1.8158 -0.9924 1286044 Maybridge3_006342 CC(=O)Nc1ccccc1OCC(O)CS(=O)(=O)Cc2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 A07 compound treatment 0.224 -0.0208 -1.03 0.227 -0.017 -0.88 -1.3458 -0.9969 2078722 Maybridge3_006343 Clc1ccc(OCc2noc(n2)c3ccsc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 A08 compound treatment 0.236 -0.00884 -0.44 0.233 -0.011 -0.57 -0.7094 -0.9914 1598417 Maybridge3_006344 CCOC(=O)CCc1c([nH]c2ccccc12)C(=O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 A09 compound treatment 0.241 -0.00384 -0.19 0.235 -0.00903 -0.46 -0.4625 -0.9214 1184219 Maybridge3_006345 NC(=O)c1ncoc1c2ccc(Cl)cc2Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 A10 compound treatment 0.226 -0.0188 -0.93 0.239 -0.00503 -0.26 -0.8393 -0.8712 2078723 Maybridge3_006346 N/C(=N\O)/c1cccc(c1)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 A11 compound treatment 0.242 -0.00284 -0.14 0.238 -0.00603 -0.31 -0.3185 -0.9351 2078724 Maybridge3_006347 Clc1cc(/C=N/c2cccnc2)c(Cl)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 A12 compound treatment 0.243 -0.00184 -0.09 0.245 9.68E-4 0.05 -0.0288 -0.2787 2078725 Maybridge3_006348 CN(c1ccccc1)c2nc(nc(C)c2Cl)c3ccccn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 A13 compound treatment 0.24 -0.00484 -0.24 0.249 0.00497 0.26 0.0123 0.0352 2078726 Maybridge3_006349 O=C(N1CCOCC1)/C(=C\c2cccs2)/c3ccsc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 A14 compound treatment 0.266 0.0212 1.04 0.258 0.014 0.72 1.2454 0.9836 1656669 Maybridge3_006350 CC(O)(CNCc1ccc(Cl)cc1)CSc2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 A15 compound treatment 0.252 0.00716 0.35 0.24 -0.00403 -0.21 0.1026 0.2507 2078727 Maybridge3_006351 c1csc(c1)c2ccc(s2)c3ccon3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 A16 compound treatment 0.229 -0.0158 -0.78 0.238 -0.00603 -0.31 -0.7712 -0.9185 2078728 Maybridge3_006352 CCOC(=O)n1nccc1c2ccc(s2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 A17 compound treatment 0.221 -0.0238 -1.17 0.228 -0.016 -0.83 -1.4138 -0.9851 2078729 Maybridge3_006353 O=S(=O)(N1CCCC1)c2ccc(s2)c3ccc(s3)S(=O)(=O)N4CCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 A18 compound treatment 0.224 -0.0208 -1.03 0.228 -0.016 -0.83 -1.3094 -0.9942 2078730 Maybridge3_006354 CC(C)Oc1cccc(NC(=O)C)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 A19 compound treatment 0.216 -0.0288 -1.42 0.216 -0.028 -1.44 -2.0248 -1.0 1604359 Maybridge3_006355 COc1ccc(NC(=O)c2c(C)oc3c(F)c(F)c(F)c(F)c23)c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 A20 compound treatment 0.208 -0.0368 -1.81 0.212 -0.032 -1.65 -2.449 -0.9989 2078731 Maybridge3_006356 COC(=O)c1sc(c(c1S(=O)(=O)N(C)C)c2ccccc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 A21 compound treatment 0.223 -0.0218 -1.08 0.218 -0.026 -1.34 -1.7082 -0.9941 2078732 Maybridge3_006357 CCOC(=O)c1noc(N)c1C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 A22 compound treatment 0.238 -0.00684 -0.34 0.211 -0.033 -1.7 -1.4406 -0.831 2078733 Maybridge3_006358 Cc1nnsc1c2nc(cs2)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 A23 mock treatment 0.245 1.61E-4 0.01 0.234 -0.01 -0.52 -0.3596 -0.6961 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 A24 mock treatment 0.203 -0.0418 -2.06 0.184 -0.06 -3.09 -3.6424 -0.9806 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 B01 compound treatment 0.245 1.61E-4 0.01 0.232 -0.012 -0.62 -0.4324 -0.698 2078734 Maybridge3_006359 CC(C)(C)C(=O)Nc1cccc(c1C(=O)O)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 B02 compound treatment 0.247 0.00216 0.11 0.251 0.00697 0.36 0.3289 0.8791 1363801 Maybridge3_006360 COc1ccc2cc(ccc2c1)c3ccon3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 B03 compound treatment 0.258 0.0132 0.65 0.257 0.013 0.67 0.9304 0.9999 2078735 Maybridge3_006361 CSc1c(NC(=O)/C=C/C(=O)O)cccc1C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 B04 compound treatment 0.254 0.00916 0.45 0.258 0.014 0.72 0.8275 0.9748 2078736 Maybridge3_006362 S=C(SCc1ncon1)N2CCCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 B05 compound treatment 0.26 0.0152 0.75 0.26 0.016 0.82 1.1093 0.9989 2078737 Maybridge3_006363 Nc1c(Cl)cc(cc1Cl)c2noc(n2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 B06 compound treatment 0.254 0.00916 0.45 0.253 0.00897 0.46 0.6455 0.9999 1044815 Maybridge3_006364 O=C(c1ccc[nH]1)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 B07 compound treatment 0.247 0.00216 0.11 0.258 0.014 0.72 0.5837 0.803 2078738 Maybridge3_006365 COC(OC)(C(C#N)c1ccccc1)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 B08 compound treatment 0.258 0.0132 0.65 0.264 0.02 1.03 1.1852 0.9753 2078739 Maybridge3_006366 Cn1nc(c(c1/N=C/c2ccc[nH]2)c3ccccc3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 B09 compound treatment 0.262 0.0172 0.85 0.263 0.019 0.98 1.2881 0.9974 2078740 Maybridge3_006367 CCOC(=O)Cc1csc(n1)c2ncc(cc2OCC)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 B10 compound treatment 0.281 0.0362 1.78 0.281 0.037 1.9 2.6051 0.9995 1144915 Maybridge3_006368 Fc1ccc(COc2ccc(cc2)c3nnco3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 B11 compound treatment 0.254 0.00916 0.45 0.254 0.00997 0.51 0.6819 0.9979 2078741 Maybridge3_006369 CC(C)(C)CC(=O)N1CCN(CC1)c2cc(ccn2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 B12 compound treatment 0.258 0.0132 0.65 0.255 0.011 0.56 0.8576 0.9976 2078742 Maybridge3_006370 COc1ccc(C/N=C/c2ccc(OC)cc2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 B13 compound treatment 0.257 0.0122 0.6 0.265 0.021 1.08 1.1868 0.9614 2078743 Maybridge3_006371 COc1cc(CCc2nnc(o2)c3cccs3)cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 B14 compound treatment 0.254 0.00916 0.45 0.256 0.012 0.62 0.7547 0.9883 1177562 Maybridge3_006372 O=C(CC1(CC2CC3CC(C2)C1)C3)N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 B15 compound treatment 0.262 0.0172 0.85 0.258 0.014 0.72 1.1061 0.9968 2078744 Maybridge3_006373 O/N=C/c1cc(Br)cs1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 B16 compound treatment 0.264 0.0192 0.94 0.26 0.016 0.82 1.2486 0.9976 2078745 Maybridge3_006374 COC(=O)c1ccc(cc1)c2ccccc2F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 B17 compound treatment 0.265 0.0202 0.99 0.264 0.02 1.03 1.429 0.9999 1358213 Maybridge3_006375 CC(C)(C)c1ccc(cc1)C(=O)N2CCC(CC2)C(=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 B18 compound treatment 0.259 0.0142 0.7 0.259 0.015 0.77 1.0381 0.9988 2078746 Maybridge3_006376 CCc1sc(nc1C(=O)OC)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 B19 compound treatment 0.256 0.0112 0.55 0.257 0.013 0.67 0.8608 0.9953 1450817 Maybridge3_006377 COC(=O)c1c(C)nc(C)c(C(=O)OC)c1c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 B20 compound treatment 0.257 0.0122 0.6 0.257 0.013 0.67 0.8956 0.9985 1460503 Maybridge3_006378 COc1cc(NC(=O)OC(C)(C)C)cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 B21 compound treatment 0.254 0.00916 0.45 0.254 0.00997 0.51 0.6819 0.9979 2078747 Maybridge3_006379 Cc1noc(C)c1C(=O)OCc2ccc(o2)c3ccc(F)cc3F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 B22 compound treatment 0.25 0.00516 0.25 0.254 0.00997 0.51 0.5426 0.9475 2078748 Maybridge3_006380 N#Cc1ccc(Sc2ccccc2)nc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 B23 mock treatment 0.247 0.00216 0.11 0.255 0.011 0.56 0.4745 0.8259 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 B24 mock treatment 0.224 -0.0208 -1.03 0.229 -0.015 -0.77 -1.273 -0.9903 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 C01 compound treatment 0.23 -0.0148 -0.73 0.219 -0.025 -1.29 -1.428 -0.9639 2078749 Maybridge3_006381 Clc1ccc(SCc2noc(n2)c3ccsc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 C02 compound treatment 0.237 -0.00784 -0.39 0.243 -0.00103 -0.05 -0.3106 -0.7969 2078750 Maybridge3_006382 c1cc(no1)c2ccc(s2)c3noc(n3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 C03 compound treatment 0.296 0.0512 2.52 0.297 0.053 2.73 3.7099 0.9992 2078751 Maybridge3_006383 NC(=O)c1cc2CSc3ccc(Cl)cc3-c2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 C04 compound treatment 0.246 0.00116 0.06 0.25 0.00597 0.31 0.2577 0.8246 1087730 Maybridge3_006384 C(c1cccs1)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 C05 compound treatment 0.257 0.0122 0.6 0.262 0.018 0.92 1.0776 0.9779 2078752 Maybridge3_006385 COC(=O)c1sccc1c2ccc(/C=C(\C#N)/S(=O)(=O)C)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 C06 compound treatment 0.246 0.00116 0.06 0.245 9.68E-4 0.05 0.0757 0.9976 2078753 Maybridge3_006386 COC(=O)c1sccc1Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 C07 compound treatment 0.239 -0.00584 -0.29 0.241 -0.00303 -0.16 -0.3137 -0.9588 2078754 Maybridge3_006387 FC(F)(F)c1ccc(cc1)c2ocnc2C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 C08 compound treatment 0.249 0.00416 0.2 0.254 0.00997 0.51 0.5078 0.9189 2078755 Maybridge3_006388 FC(F)(F)c1n[nH]cc1c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 C09 compound treatment 0.248 0.00316 0.16 0.25 0.00597 0.31 0.3273 0.9504 2078756 Maybridge3_006389 NC(=O)c1ncoc1c2cccc(Cl)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 C10 compound treatment 0.248 0.00316 0.16 0.243 -0.00103 -0.05 0.0725 0.4408 2078757 Maybridge3_006390 CSc1cc(nn1C(=O)C)c2nccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 C11 compound treatment 0.242 -0.00284 -0.14 0.254 0.00997 0.51 0.264 0.4964 2078758 Maybridge3_006391 Clc1ccc(/C=C/C#N)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 C12 compound treatment 0.253 0.00816 0.4 0.249 0.00497 0.26 0.4651 0.9762 1417919 Maybridge3_006392 COC(=O)c1cc(=O)n2c3ccccc3sc2c1C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 C13 compound treatment 0.261 0.0162 0.8 0.267 0.023 1.18 1.3989 0.9815 2078759 Maybridge3_006393 CS(=O)(=O)/C(=C/c1ccc(s1)c2cccs2)/C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 C14 compound treatment 0.245 1.61E-4 0.01 0.245 9.68E-4 0.05 0.0408 0.8096 2078760 Maybridge3_006394 Cc1noc(c1c2nc(no2)c3cccc(c3)C(F)(F)F)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 C15 compound treatment 0.248 0.00316 0.16 0.248 0.00397 0.2 0.2545 0.991 2078761 Maybridge3_006395 CNC(=O)n1nccc1c2ccc(s2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 C16 compound treatment 0.251 0.00616 0.3 0.251 0.00697 0.36 0.4682 0.9965 2078762 Maybridge3_006396 COc1ccc(/C=C(/CC(=O)O)\C(=O)O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 C17 compound treatment 0.251 0.00616 0.3 0.251 0.00697 0.36 0.4682 0.9965 1644058 Maybridge3_006397 CCN(CC)S(=O)(=O)c1ccc(s1)c2ccc(s2)S(=O)(=O)N(CC)CC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 C18 compound treatment 0.265 0.0202 0.99 0.266 0.022 1.13 1.5018 0.9979 2078763 Maybridge3_006398 C/C(=N\O)/c1ccc(Sc2ccccc2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 C19 compound treatment 0.245 1.61E-4 0.01 0.243 -0.00103 -0.05 -0.032 -0.5948 1241579 Maybridge3_006399 Cc1oc2c(F)c(F)c(F)c(F)c2c1C(=O)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 C20 compound treatment 0.246 0.00116 0.06 0.245 9.68E-4 0.05 0.0757 0.9976 2078764 Maybridge3_006400 Cc1cc(/C=C(\C#N)/S(=O)(=O)C)c(C)n1c2ccc(cc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 C21 compound treatment 0.244 -8.39E-4 -0.04 0.239 -0.00503 -0.26 -0.2124 -0.8096 2078765 Maybridge3_006401 CC(=O)N1CCc2c([nH]c3ccccc23)C1C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 C22 compound treatment 0.244 -8.39E-4 -0.04 0.248 0.00397 0.2 0.1152 0.5529 2078766 Maybridge3_006402 CN(NS(=O)(=O)c1ccccc1C(F)(F)F)c2cnc3ccccc3n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 C23 mock treatment 0.241 -0.00384 -0.19 0.24 -0.00403 -0.21 -0.2805 -0.9989 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 C24 mock treatment 0.236 -0.00884 -0.44 0.229 -0.015 -0.77 -0.855 -0.963 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 D01 compound treatment 0.249 0.00416 0.2 0.242 -0.00203 -0.1 0.0709 0.3083 2078767 Maybridge3_006403 CSc1ccc(/C=N/c2ccc(Cl)cc2Cl)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 D02 compound treatment 0.238 -0.00684 -0.34 0.238 -0.00603 -0.31 -0.4578 -0.9992 2078768 Maybridge3_006404 FC(F)(F)c1cc(n(n1)c2ccc(cc2)N3C(=O)C=CC3=O)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 D03 compound treatment 0.258 0.0132 0.65 0.253 0.00897 0.46 0.7848 0.9862 2078769 Maybridge3_006405 Clc1ccc(cc1)S(=O)(=O)Cc2nc(no2)c3ccsc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 D04 compound treatment 0.256 0.0112 0.55 0.253 0.00897 0.46 0.7152 0.9962 1006808 Maybridge3_006406 COc1cc2CC(=O)Nc2cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 D05 compound treatment 0.253 0.00816 0.4 0.253 0.00897 0.46 0.6107 0.9976 2078770 Maybridge3_006407 Cc1cc(NC(=O)COC(Cc2ccccc2)C(F)(F)F)no1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 D06 compound treatment 0.248 0.00316 0.16 0.249 0.00497 0.26 0.2909 0.9717 1683662 Maybridge3_006408 Cc1nc(sc1C(=O)Nc2ccccc2)C(=O)Nc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 D07 compound treatment 0.256 0.0112 0.55 0.26 0.016 0.82 0.97 0.9809 2078771 Maybridge3_006409 OC(=O)c1ccccc1C(=O)N2CCc3c([nH]c4ccccc34)C2C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 D08 compound treatment 0.256 0.0112 0.55 0.26 0.016 0.82 0.97 0.9809 2078772 Maybridge3_006410 Cn1nc(c(c1NC(=O)CSCC(=O)O)c2ccccc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 D09 compound treatment 0.252 0.00716 0.35 0.251 0.00697 0.36 0.503 1.0 1275278 Maybridge3_006411 Cc1ccc(cc1)S(=O)(=O)Cc2csc(n2)N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 D10 compound treatment 0.241 -0.00384 -0.19 0.244 -3.23E-5 0.0 -0.1349 -0.7133 1056522 Maybridge3_006412 OC(c1ccccc1)c2ccncc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 D11 compound treatment 0.253 0.00816 0.4 0.26 0.016 0.82 0.8655 0.9458 2078773 Maybridge3_006413 CCS(=O)(=O)N1CCN(CC1)c2cc(ccn2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 D12 compound treatment 0.256 0.0112 0.55 0.249 0.00497 0.26 0.5696 0.9394 1558506 Maybridge3_006414 COc1ccc(CNCc2ccc(OC)c(OC)c2)cc1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 D13 compound treatment 0.245 1.61E-4 0.01 0.253 0.00897 0.46 0.3321 0.7192 2078774 Maybridge3_006415 CCOC(=O)c1c(C)nn(c1C)c2ccc(NC(=O)c3cccs3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 D14 compound treatment 0.256 0.0112 0.55 0.252 0.00797 0.41 0.6788 0.9896 2078775 Maybridge3_006416 c1cc(cs1)c2nn[nH]n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 D15 compound treatment 0.254 0.00916 0.45 0.252 0.00797 0.41 0.6091 0.9989 2078776 Maybridge3_006417 Cc1nc(no1)c2ccc(cc2)c3noc(C)n3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 D16 compound treatment 0.268 0.0232 1.14 0.259 0.015 0.77 1.3515 0.9818 2078777 Maybridge3_006418 COC(=O)Cc1nc(sc1C)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 D17 compound treatment 0.262 0.0172 0.85 0.257 0.013 0.67 1.0697 0.9932 2078778 Maybridge3_006419 FC(F)(F)C(=O)N1CCC(CC1)C(=O)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 D18 compound treatment 0.263 0.0182 0.89 0.257 0.013 0.67 1.1046 0.9896 2078779 Maybridge3_006420 FC(F)(F)c1cc(Cl)c(c(Cl)c1)S(=O)(=O)N2CCOCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 D19 compound treatment 0.249 0.00416 0.2 0.256 0.012 0.62 0.5806 0.8942 1140498 Maybridge3_006421 Cc1nc(C)c(C(=O)O)c(c2cccs2)c1C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 D20 compound treatment 0.251 0.00616 0.3 0.248 0.00397 0.2 0.359 0.9814 1348447 Maybridge3_006422 CS(=O)(=O)CS(=O)(=O)Nc1cc(Cl)cc(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 D21 compound treatment 0.256 0.0112 0.55 0.253 0.00897 0.46 0.7152 0.9962 2078780 Maybridge3_006423 N#Cc1ccc(Oc2ccccc2)nc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 D22 compound treatment 0.25 0.00516 0.25 0.252 0.00797 0.41 0.4698 0.9735 2078781 Maybridge3_006424 Clc1ccc(cc1)S(=O)(=O)c2ccc(C#N)cn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 D23 mock treatment 0.246 0.00116 0.06 0.249 0.00497 0.26 0.2213 0.8444 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 D24 mock treatment 0.245 1.61E-4 0.01 0.232 -0.012 -0.62 -0.4324 -0.698 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 E01 compound treatment 0.249 0.00416 0.2 0.237 -0.00703 -0.36 -0.1111 -0.267 2078782 Maybridge3_006425 COC(=O)c1[nH]c(c(C)c1C(=O)OC)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 E02 compound treatment 0.248 0.00316 0.16 0.253 0.00897 0.46 0.4365 0.896 2078783 Maybridge3_006426 FC(F)(F)c1cccc(c1)c2nc(no2)c3ccc(s3)c4ccon4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 E03 compound treatment 0.245 1.61E-4 0.01 0.245 9.68E-4 0.05 0.0408 0.8096 1223351 Maybridge3_006427 O=C(CCSc1cccs1)Nc2cccnc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 E04 compound treatment 0.248 0.00316 0.16 0.253 0.00897 0.46 0.4365 0.896 2078784 Maybridge3_006428 CC(=O)N/C(=C\c1ccc(Cl)cc1)/C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 E05 compound treatment 0.261 0.0162 0.8 0.26 0.016 0.82 1.1441 0.9999 1162726 Maybridge3_006429 NC(=O)c1ccc(cc1)c2ncc3CSc4sccc4-c3n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 E06 compound treatment 0.255 0.0102 0.5 0.249 0.00497 0.26 0.5347 0.9514 2078785 Maybridge3_006430 O=C(CC#N)c1ccsc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 E07 compound treatment 0.254 0.00916 0.45 0.254 0.00997 0.51 0.6819 0.9979 2078786 Maybridge3_006431 CCOC(=O)c1ncoc1c2ccc(OC)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 E08 compound treatment 0.253 0.00816 0.4 0.258 0.014 0.72 0.7927 0.9622 2078787 Maybridge3_006432 FC(F)(F)c1sc(cc1c2ccccc2)C(=O)N3CCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 E09 compound treatment 0.262 0.0172 0.85 0.266 0.022 1.13 1.3974 0.9897 1184788 Maybridge3_006433 COc1ccccc1c2nc(COc3ccc(Cl)cc3Cl)no2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 E10 compound treatment 0.256 0.0112 0.55 0.259 0.015 0.77 0.9336 0.9863 1541267 Maybridge3_006434 Nc1nccnc1C(=O)Oc2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 E11 compound treatment 0.258 0.0132 0.65 0.254 0.00997 0.51 0.8212 0.9933 2078788 Maybridge3_006435 NC(=O)c1cc2sccc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 E12 compound treatment 0.26 0.0152 0.75 0.26 0.016 0.82 1.1093 0.9989 2078789 Maybridge3_006436 Cc1noc(c1C(=O)O)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 E13 compound treatment 0.25 0.00516 0.25 0.26 0.016 0.82 0.761 0.8844 1403697 Maybridge3_006437 OC(=O)CCSC1=CCS(=O)(=O)c2ccc(Cl)cc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 E14 compound treatment 0.253 0.00816 0.4 0.253 0.00897 0.46 0.6107 0.9976 2078790 Maybridge3_006438 Nc1csc(c1c2ccccc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 E15 compound treatment 0.253 0.00816 0.4 0.252 0.00797 0.41 0.5743 0.9999 2078791 Maybridge3_006439 Nc1n[nH]c(NCc2ccccc2OC(F)(F)F)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 E16 compound treatment 0.246 0.00116 0.06 0.247 0.00297 0.15 0.1485 0.9101 2078792 Maybridge3_006440 CC(C)C(=O)Nc1csc(c1c2ccccc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 E17 compound treatment 0.272 0.0272 1.34 0.269 0.025 1.29 1.8548 0.9998 1574811 Maybridge3_006441 NC(=O)c1ccc(cc1)c2ncc3COc4ccc(F)cc4-c3n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 E18 compound treatment 0.265 0.0202 0.99 0.265 0.021 1.08 1.4654 0.9991 1420963 Maybridge3_006442 CSc1ccsc1C2=NC(C)(C)CO2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 E19 compound treatment 0.248 0.00316 0.16 0.253 0.00897 0.46 0.4365 0.896 2078793 Maybridge3_006443 FC(F)(F)c1cccc(c1)c2noc(n2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 E20 compound treatment 0.301 0.0562 2.77 0.29 0.046 2.37 3.6293 0.997 2078794 Maybridge3_006444 COC(=O)c1cc(O)n(n1)c2ccc(cc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 E21 compound treatment 0.282 0.0372 1.83 0.28 0.036 1.85 2.6035 1.0 2078795 Maybridge3_006445 COc1ccc(/N=C/C2=C(Cl)c3cc(F)ccc3OC2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 E22 compound treatment 0.252 0.00716 0.35 0.254 0.00997 0.51 0.6123 0.9833 2078796 Maybridge3_006446 CC(C)(C)C(=O)Nc1c(Cl)cccc1OC(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 E23 mock treatment 0.252 0.00716 0.35 0.248 0.00397 0.2 0.3938 0.9663 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 E24 mock treatment 0.244 -8.39E-4 -0.04 0.239 -0.00503 -0.26 -0.2124 -0.8096 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 F01 compound treatment 0.252 0.00716 0.35 0.245 9.68E-4 0.05 0.2846 0.7991 2078797 Maybridge3_006447 CSc1ccc(s1)C(=O)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 F02 compound treatment 0.239 -0.00584 -0.29 0.245 9.68E-4 0.05 -0.1681 -0.576 2078798 Maybridge3_006448 FC(F)(F)c1cc(n(n1)c2ccc(cc2)N3C(=O)CSCC3=O)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 F03 compound treatment 0.261 0.0162 0.8 0.259 0.015 0.77 1.1077 0.9999 1498048 Maybridge3_006449 Cn1cnnc1SCc2nc(no2)c3ccsc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 F04 compound treatment 0.258 0.0132 0.65 0.256 0.012 0.62 0.894 0.9997 2078799 Maybridge3_006450 COC(=O)c1conc1C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 F05 compound treatment 0.274 0.0292 1.44 0.277 0.033 1.7 2.2157 0.9966 1309950 Maybridge3_006451 Clc1ccc(cc1)C(=O)Oc2ccc(cc2)c3nn[nH]c3C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 F06 compound treatment 0.323 0.0782 3.85 0.325 0.081 4.17 5.6695 0.9992 2078800 Maybridge3_006452 CCCS(=O)(=O)/C(=C/c1ccc(s1)c2ccc(OC)cc2)/C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 F07 compound treatment 0.265 0.0202 0.99 0.267 0.023 1.18 1.5382 0.9962 1271345 Maybridge3_006453 COCc1cc(cc2COCOc12)C(=O)Nc3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 F08 compound treatment 0.264 0.0192 0.94 0.27 0.026 1.34 1.6126 0.9855 2078801 Maybridge3_006454 Cc1nnsc1C(=O)OCc2cc(F)cc(F)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 F09 compound treatment 0.261 0.0162 0.8 0.254 0.00997 0.51 0.9257 0.9774 2078802 Maybridge3_006455 Fc1ccc(c(F)c1)S(=O)(=O)Nc2cccc(c2)c3nnco3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 F10 compound treatment 0.256 0.0112 0.55 0.26 0.016 0.82 0.97 0.9809 2078803 Maybridge3_006456 Cn1nc(c(c1NC(=O)CCC(=O)O)c2ccccc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 F11 compound treatment 0.252 0.00716 0.35 0.249 0.00497 0.26 0.4302 0.9875 2078804 Maybridge3_006457 FC(F)(F)c1ccc(nc1)N2CCNCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 F12 compound treatment 0.308 0.0632 3.11 0.316 0.072 3.7 4.8195 0.9962 2078805 Maybridge3_006458 Cc1cc(C)c(/C=C(\C#N)/S(=O)(=O)c2ccccc2)[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 F13 compound treatment 0.26 0.0152 0.75 0.26 0.016 0.82 1.1093 0.9989 2078806 Maybridge3_006459 CCOC(=O)c1c(C)nn(c1C)c2ccc(NC(=O)C(C)(C)C)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 F14 compound treatment 0.284 0.0392 1.93 0.284 0.04 2.06 2.8188 0.9995 2078807 Maybridge3_006460 O/N=C/c1ccc(o1)c2ccccc2OC(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 F15 compound treatment 0.265 0.0202 0.99 0.263 0.019 0.98 1.3926 1.0 2078808 Maybridge3_006461 Cc1nn(c(C)c1c2nnc(o2)c3ccc(Cl)cc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 F16 compound treatment 0.269 0.0242 1.19 0.266 0.022 1.13 1.6411 0.9997 2078809 Maybridge3_006462 Fc1ccc2SC/C(=C\c3cccs3)/C(=O)c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 F17 compound treatment 0.267 0.0222 1.09 0.266 0.022 1.13 1.5715 0.9998 1597083 Maybridge3_006463 Cc1nc(C)c(s1)S(=O)(=O)N2CCC(CC2)C(=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 F18 compound treatment 0.267 0.0222 1.09 0.261 0.017 0.87 1.3895 0.9939 2078810 Maybridge3_006464 Fc1cccc(F)c1S(=O)(=O)NCc2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 F19 compound treatment 0.254 0.00916 0.45 0.256 0.012 0.62 0.7547 0.9883 1734478 Maybridge3_006465 Cc1ccc(C)n1CCN2CCN(CC2)C(=O)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 F20 compound treatment 0.294 0.0492 2.42 0.299 0.055 2.83 3.7131 0.997 2078811 Maybridge3_006466 O=C/1Nc2ccccc2\C1=C\c3ccc(Oc4ccccc4)nc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 F21 compound treatment 0.261 0.0162 0.8 0.258 0.014 0.72 1.0713 0.9987 2078812 Maybridge3_006467 CCSc1ccc(cn1)/C(=N/O)/N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 F22 compound treatment 0.256 0.0112 0.55 0.254 0.00997 0.51 0.7516 0.9994 1297121 Maybridge3_006468 CCOC(=O)N1CCN(CC1)c2ccccc2OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 F23 mock treatment 0.253 0.00816 0.4 0.259 0.015 0.77 0.8291 0.954 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 F24 mock treatment 0.255 0.0102 0.5 0.247 0.00297 0.15 0.4619 0.8828 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 G01 compound treatment 0.245 1.61E-4 0.01 0.243 -0.00103 -0.05 -0.032 -0.5948 2078813 Maybridge3_006469 FC(F)(F)c1cccc(OCc2noc(n2)c3ccsc3)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 G02 compound treatment 0.255 0.0102 0.5 0.251 0.00697 0.36 0.6075 0.9867 1489219 Maybridge3_006470 OC(=O)c1sc(C(=O)O)c(c2ccco2)c1c3ccco3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 G03 compound treatment 0.251 0.00616 0.3 0.25 0.00597 0.31 0.4318 1.0 2078814 Maybridge3_006471 CN(C)c1ccc(/C=C(\C#N)/S(=O)(=O)c2ccc(Cl)cc2)c(F)c1C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 G04 compound treatment 0.264 0.0192 0.94 0.267 0.023 1.18 1.5034 0.9938 2078815 Maybridge3_006472 Clc1ccc(SCc2ccsc2c3ncns3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 G05 compound treatment 0.275 0.0302 1.49 0.265 0.021 1.08 1.8137 0.9877 2078816 Maybridge3_006473 COC(=O)c1sccc1c2ccc(o2)c3cc[nH]n3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 G06 compound treatment 0.264 0.0192 0.94 0.257 0.013 0.67 1.1394 0.9856 1599828 Maybridge3_006474 O=C(N(Cc1cccs1)Cc2ccccc2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 G07 compound treatment 0.253 0.00816 0.4 0.255 0.011 0.56 0.6835 0.9861 2078817 Maybridge3_006475 Cc1ccc(cc1)c2ocnc2C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 G08 compound treatment 0.265 0.0202 0.99 0.271 0.027 1.39 1.6838 0.9865 2078818 Maybridge3_006476 FC(F)(F)c1sc(cc1c2ccccc2)C(=O)Nc3ccccn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 G09 compound treatment 0.289 0.0442 2.18 0.269 0.025 1.29 2.4469 0.9685 2078819 Maybridge3_006477 FC(F)(F)c1cccc(c1)c2ocnc2C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 G10 compound treatment 0.265 0.0202 0.99 0.264 0.02 1.03 1.429 0.9999 1340717 Maybridge3_006478 COc1ccc(SCC(O)CNCc2ccc(Cl)cc2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 G11 compound treatment 0.259 0.0142 0.7 0.246 0.00197 0.1 0.5648 0.8014 2078820 Maybridge3_006479 O=C(Sc1cccs1)C2CC3CCC2C=C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 G12 compound treatment 0.259 0.0142 0.7 0.243 -0.00103 -0.05 0.4556 0.6513 2078821 Maybridge3_006480 CC(O)(CS(=O)(=O)c1ccc(Cl)cc1)CS(=O)(=O)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 G13 compound treatment 0.269 0.0242 1.19 0.275 0.031 1.59 1.9688 0.9896 2078822 Maybridge3_006481 FC(F)(F)Oc1ccc(cc1)C(=O)NCCc2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 G14 compound treatment 0.278 0.0332 1.63 0.276 0.032 1.65 2.3186 1.0 1277177 Maybridge3_006482 OC(CNc1ccc(Cl)cc1)CSc2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 G15 compound treatment 0.265 0.0202 0.99 0.262 0.018 0.92 1.3562 0.9994 1509851 Maybridge3_006483 COc1ccc(cc1)C(=O)c2ccc(s2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 G16 compound treatment 0.278 0.0332 1.63 0.278 0.034 1.75 2.3914 0.9994 2078823 Maybridge3_006484 OC(=O)C/C(=C/c1ccc(s1)c2cccs2)/C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 G17 compound treatment 0.262 0.0172 0.85 0.261 0.017 0.87 1.2153 0.9999 1178195 Maybridge3_006485 Cc1nc(ncc1c2nsc(Nc3ccccc3)n2)C4CC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 G18 compound treatment 0.268 0.0232 1.14 0.268 0.024 1.23 1.6791 0.9992 2078824 Maybridge3_006486 Clc1c(sc2sccc12)C(=O)OCc3ccco3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 G19 compound treatment 0.24 -0.00484 -0.24 0.254 0.00997 0.51 0.1943 0.3435 2078825 Maybridge3_006487 COc1ccccc1c2nc(no2)c3cccc(c3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 G20 compound treatment 0.257 0.0122 0.6 0.251 0.00697 0.36 0.6772 0.9699 2078826 Maybridge3_006488 CCOC(=O)c1cc2c(C)nccn2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 G21 compound treatment 0.252 0.00716 0.35 0.254 0.00997 0.51 0.6123 0.9833 2078827 Maybridge3_006489 OC(=O)c1ccccc1C(=O)NCc2ccc(s2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 G22 compound treatment 0.25 0.00516 0.25 0.252 0.00797 0.41 0.4698 0.9735 2078828 Maybridge3_006490 CSc1cccc(OC(F)(F)F)c1NC(=O)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 G23 mock treatment 0.251 0.00616 0.3 0.249 0.00497 0.26 0.3954 0.9964 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 G24 mock treatment 0.243 -0.00184 -0.09 0.245 9.68E-4 0.05 -0.0288 -0.2787 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 H01 compound treatment 0.264 0.0192 0.94 0.257 0.013 0.67 1.1394 0.9856 2078829 Maybridge3_006491 O/N=C/c1c(nc2SCCn12)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 H02 compound treatment 0.253 0.00816 0.4 0.249 0.00497 0.26 0.4651 0.9762 1611173 Maybridge3_006492 Cc1cc(C(=O)NCc2ccco2)c(C)o1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 H03 compound treatment 0.263 0.0182 0.89 0.26 0.016 0.82 1.2138 0.9991 2078830 Maybridge3_006493 Clc1ccc(CSCc2nc(no2)c3ccsc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 H04 compound treatment 0.262 0.0172 0.85 0.26 0.016 0.82 1.1789 0.9999 2078831 Maybridge3_006494 Oc1ccc(cc1)c2nnco2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 H05 compound treatment 0.255 0.0102 0.5 0.253 0.00897 0.46 0.6803 0.9992 1375843 Maybridge3_006495 CC(C)(C)CC(=O)Oc1ccc(cc1)c2nn[nH]c2C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 H06 compound treatment 0.254 0.00916 0.45 0.255 0.011 0.56 0.7183 0.9938 2078832 Maybridge3_006496 Fc1cc(F)cc(CC(=O)Nc2ccc(Cl)cc2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 H07 compound treatment 0.26 0.0152 0.75 0.257 0.013 0.67 1.0001 0.9984 2078833 Maybridge3_006497 N/C(=N\O)/C1(CC1)c2ccc(Cl)cc2Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 H08 compound treatment 0.402 0.157 7.74 0.411 0.167 8.6 11.5515 0.9986 2078834 Maybridge3_006498 C(=N/c1ccccc1n2cccc2)\c3c[nH]c(n3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 H09 compound treatment 0.294 0.0492 2.42 0.296 0.052 2.68 3.6039 0.9988 2078835 Maybridge3_006499 CN(C)c1cc(cnc1C#N)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 H10 compound treatment 0.258 0.0132 0.65 0.257 0.013 0.67 0.9304 0.9999 2078836 Maybridge3_006500 Clc1ccc(/N=C/c2ccccc2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 H11 compound treatment 0.284 0.0392 1.93 0.293 0.049 2.52 3.1464 0.9913 1706804 Maybridge3_006501 NC(=O)C1CCN(CC1)c2cnc3ccccc3n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 H12 compound treatment 0.253 0.00816 0.4 0.249 0.00497 0.26 0.4651 0.9762 2078837 Maybridge3_006502 Cc1nn(c(C)c1C(=O)N)c2c(Cl)cc(cc2Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 H13 compound treatment 0.259 0.0142 0.7 0.261 0.017 0.87 1.1109 0.9938 2078838 Maybridge3_006503 Cc1cc(C)n(n1)c2ccc(N)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 H14 compound treatment 0.255 0.0102 0.5 0.257 0.013 0.67 0.8259 0.9899 1225492 Maybridge3_006504 OC(=O)c1ccc(cc1)c2ccccc2F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 H15 compound treatment 0.256 0.0112 0.55 0.259 0.015 0.77 0.9336 0.9863 2078839 Maybridge3_006505 Cc1nn(c(C)c1c2nnc(o2)C(F)(F)F)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 H16 compound treatment 0.286 0.0412 2.03 0.277 0.033 1.7 2.6336 0.9961 2078840 Maybridge3_006506 COc1cc2NC(=O)/C(=C\c3cccs3)/c2cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 H17 compound treatment 0.267 0.0222 1.09 0.266 0.022 1.13 1.5715 0.9998 2078841 Maybridge3_006507 Cc1cc(C)n(n1)c2ccc(cc2)n3cccc3/C=C(\C#N)/S(=O)(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 H18 compound treatment 0.257 0.0122 0.6 0.247 0.00297 0.15 0.5316 0.8599 2078842 Maybridge3_006508 COc1cc(cc(c1C(=O)N)C(F)(F)F)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 H19 compound treatment 0.237 -0.00784 -0.39 0.246 0.00197 0.1 -0.2014 -0.5045 2078843 Maybridge3_006509 Cc1ccc(C)n1CCN2CCN(CC2)C(=O)c3cccc(c3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 H20 compound treatment 0.254 0.00916 0.45 0.249 0.00497 0.26 0.4999 0.9638 1172566 Maybridge3_006510 CS(=O)(=O)CS(=O)(=O)NCc1cccs1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 H21 compound treatment 0.252 0.00716 0.35 0.251 0.00697 0.36 0.503 1.0 1603848 Maybridge3_006511 CCSc1ccc(cn1)c2noc(n2)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 H22 compound treatment 0.254 0.00916 0.45 0.254 0.00997 0.51 0.6819 0.9979 2078844 Maybridge3_006512 CCCOc1ccc(NC(=O)C)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 H23 mock treatment 0.257 0.0122 0.6 0.252 0.00797 0.41 0.7136 0.9829 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 H24 mock treatment 0.242 -0.00284 -0.14 0.241 -0.00303 -0.16 -0.2092 -0.9985 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 I01 compound treatment 0.241 -0.00384 -0.19 0.236 -0.00803 -0.41 -0.4261 -0.9371 2078845 Maybridge3_006513 N#Cc1ccc(OCc2noc(n2)c3ccsc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 I02 compound treatment 0.256 0.0112 0.55 0.253 0.00897 0.46 0.7152 0.9962 2078846 Maybridge3_006514 c1csc(c1)c2nc(no2)c3ccc(s3)c4ccon4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 I03 compound treatment 0.298 0.0532 2.62 0.29 0.046 2.37 3.5248 0.9987 2078847 Maybridge3_006515 O/N=C/C1=C(Cl)c2cc(Cl)ccc2OC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 I04 compound treatment 0.252 0.00716 0.35 0.253 0.00897 0.46 0.5759 0.9912 1534529 Maybridge3_006516 Brc1cc(Br)c(s1)S(=O)(=O)N2CCCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 I05 compound treatment 0.268 0.0232 1.14 0.269 0.025 1.29 1.7155 0.9982 2078848 Maybridge3_006517 COC(=O)c1sccc1c2ccc(o2)c3ccn(n3)C(=O)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 I06 compound treatment 0.255 0.0102 0.5 0.251 0.00697 0.36 0.6075 0.9867 2078849 Maybridge3_006518 CSc1sccc1/C=N/O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 I07 compound treatment 0.258 0.0132 0.65 0.256 0.012 0.62 0.894 0.9997 2078850 Maybridge3_006519 Cc1ccc(cc1)c2ocnc2C(=O)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 I08 compound treatment 0.259 0.0142 0.7 0.259 0.015 0.77 1.0381 0.9988 2078851 Maybridge3_006520 CC1(C)CC(=O)C=C(C1)Nc2ccc(F)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 I09 compound treatment 0.255 0.0102 0.5 0.26 0.016 0.82 0.9352 0.9717 2078852 Maybridge3_006521 Clc1ccccc1c2ocnc2C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 I10 compound treatment 0.259 0.0142 0.7 0.259 0.015 0.77 1.0381 0.9988 2078853 Maybridge3_006522 CNc1nc(nc(C)c1Cl)c2ccccn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 I11 compound treatment 0.266 0.0212 1.04 0.264 0.02 1.03 1.4639 1.0 2078854 Maybridge3_006523 Cc1nsc(n1)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 I12 compound treatment 0.289 0.0442 2.18 0.286 0.042 2.16 3.0657 1.0 1131491 Maybridge3_006524 COc1ccc(cc1)c2csc(Nc3cccnc3)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 I13 compound treatment 0.269 0.0242 1.19 0.266 0.022 1.13 1.6411 0.9997 2078855 Maybridge3_006525 O/N=C/c1ccc(s1)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 I14 compound treatment 0.264 0.0192 0.94 0.26 0.016 0.82 1.2486 0.9976 1396794 Maybridge3_006526 COc1ccc(CNCC(O)CSc2ccc(OC)cc2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 I15 compound treatment 0.287 0.0422 2.08 0.291 0.047 2.42 3.1781 0.9971 2078856 Maybridge3_006527 Fc1ccc(C(=O)c2ccc(s2)c3cccs3)c(F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 I16 compound treatment 0.246 0.00116 0.06 0.244 -3.23E-5 0.0 0.0393 0.6863 2078857 Maybridge3_006528 CS(=O)(=O)Nc1csc(c1c2ccccc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 I17 compound treatment 0.3 0.0552 2.72 0.304 0.06 3.09 4.1041 0.998 2078858 Maybridge3_006529 CC(=O)Nc1ccc(cc1)S(=O)(=O)n2nccc2c3ccc(s3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 I18 compound treatment 0.253 0.00816 0.4 0.257 0.013 0.67 0.7563 0.9705 2078859 Maybridge3_006530 FC(F)(F)c1cccc(c1)C2CC(=O)CC(=O)C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 I19 compound treatment 0.243 -0.00184 -0.09 0.242 -0.00203 -0.1 -0.138 -0.9974 2078860 Maybridge3_006531 O=C(NCc1ccccc1)c2cc3sccc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 I20 compound treatment 0.254 0.00916 0.45 0.258 0.014 0.72 0.8275 0.9748 2078861 Maybridge3_006532 OC1CS(=O)(=O)CC1S(=O)(=O)Cc2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 I21 compound treatment 0.254 0.00916 0.45 0.255 0.011 0.56 0.7183 0.9938 2078862 Maybridge3_006533 OC(=O)/C=C/C(=O)NCc1ccc(s1)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 I22 compound treatment 0.264 0.0192 0.94 0.264 0.02 1.03 1.3942 0.9991 2078863 Maybridge3_006534 Brc1cc(sc1Br)S(=O)(=O)NCc2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 I23 mock treatment 0.255 0.0102 0.5 0.255 0.011 0.56 0.7531 0.9982 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 I24 mock treatment 0.248 0.00316 0.16 0.249 0.00497 0.26 0.2909 0.9717 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 J01 compound treatment 0.252 0.00716 0.35 0.238 -0.00603 -0.31 0.0298 0.0634 2078864 Maybridge3_006535 CSc1ccc(s1)C(=O)Nc2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 J02 compound treatment 0.245 1.61E-4 0.01 0.24 -0.00403 -0.21 -0.1412 -0.6795 1249057 Maybridge3_006536 COc1cc(NC(=O)c2cc(C)oc2C)cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 J03 compound treatment 0.291 0.0462 2.27 0.297 0.053 2.73 3.5358 0.9959 2078865 Maybridge3_006537 Clc1ccc(CS(=O)(=O)Cc2nc(no2)c3ccsc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 J04 compound treatment 0.274 0.0292 1.44 0.27 0.026 1.34 1.9609 0.9994 1224148 Maybridge3_006538 Clc1cccc(Oc2ccc(cc2)c3nnco3)c1C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 J05 compound treatment 0.248 0.00316 0.16 0.254 0.00997 0.51 0.4729 0.882 2078866 Maybridge3_006539 CCOC(=O)c1csc(n1)c2ncc(cc2Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 J06 compound treatment 0.27 0.0252 1.24 0.26 0.016 0.82 1.4576 0.9801 1689416 Maybridge3_006540 COc1ccc(NC(=O)Cc2cc(F)cc(F)c2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 J07 compound treatment 0.25 0.00516 0.25 0.252 0.00797 0.41 0.4698 0.9735 2078867 Maybridge3_006541 NS(=O)(=O)c1ccc(s1)c2cc(ccn2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 J08 compound treatment 0.258 0.0132 0.65 0.25 0.00597 0.31 0.6756 0.9418 2078868 Maybridge3_006542 OC(=O)/C(=C/c1ccsc1)/c2cc(F)cc(F)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 J09 compound treatment 0.252 0.00716 0.35 0.252 0.00797 0.41 0.5395 0.9972 2078869 Maybridge3_006543 CN(C)c1cc(cnc1/C(=N/O)/N)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 J10 compound treatment 0.251 0.00616 0.3 0.244 -3.23E-5 0.0 0.2134 0.7032 2078870 Maybridge3_006544 Cc1ccc(/N=C/c2ccccc2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 J11 compound treatment 0.253 0.00816 0.4 0.248 0.00397 0.2 0.4287 0.9507 2078871 Maybridge3_006545 FC(F)(F)c1ccc(nc1)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 J12 compound treatment 0.244 -8.39E-4 -0.04 0.243 -0.00103 -0.05 -0.0668 -0.9922 2078872 Maybridge3_006546 Nc1c(C#N)cnn1c2c(Cl)cc(cc2Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 J13 compound treatment 0.264 0.0192 0.94 0.246 0.00197 0.1 0.739 0.7785 2078873 Maybridge3_006547 COc1ccc(OC(=O)c2c(C)nn(c2C)c3ccccc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 J14 compound treatment 0.251 0.00616 0.3 0.243 -0.00103 -0.05 0.177 0.5745 1455677 Maybridge3_006548 Cc1ccc(cc1)c2cc(C(=O)N)c3cc(F)ccc3n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 J15 compound treatment 0.251 0.00616 0.3 0.253 0.00897 0.46 0.541 0.9793 2078874 Maybridge3_006549 CC(C)(C)C(=O)N1CCCC1C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 J16 compound treatment 0.248 0.00316 0.16 0.247 0.00297 0.15 0.2181 1.0 2078875 Maybridge3_006550 Cc1cc(C(=O)Nc2ccc(Cl)cc2)c(o1)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 J17 compound treatment 0.256 0.0112 0.55 0.26 0.016 0.82 0.97 0.9809 2078876 Maybridge3_006551 C/C=C(\C)/C(=O)N1CCC(CC1)C(=O)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 J18 compound treatment 0.254 0.00916 0.45 0.253 0.00897 0.46 0.6455 0.9999 2078877 Maybridge3_006552 Cc1nccnc1c2ccnn2C(=O)Nc3cc(Cl)cc(Cl)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 J19 compound treatment 0.266 0.0212 1.04 0.258 0.014 0.72 1.2454 0.9836 1426779 Maybridge3_006553 NCC(c1c[nH]c2ccccc12)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 J20 compound treatment 0.244 -8.39E-4 -0.04 0.252 0.00797 0.41 0.2608 0.6327 2078878 Maybridge3_006554 CS(=O)(=O)CS(=O)(=O)Nc1cccc(OC(F)(F)F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 J21 compound treatment 0.252 0.00716 0.35 0.256 0.012 0.62 0.6851 0.965 2078879 Maybridge3_006555 O=C/1OC(=C\C1=C\c2ccccc2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 J22 compound treatment 0.248 0.00316 0.16 0.249 0.00497 0.26 0.2909 0.9717 2078880 Maybridge3_006556 COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(OC)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 J23 mock treatment 0.25 0.00516 0.25 0.247 0.00297 0.15 0.2878 0.9703 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 J24 mock treatment 0.243 -0.00184 -0.09 0.247 0.00297 0.15 0.044 0.2477 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 K01 compound treatment 0.247 0.00216 0.11 0.217 -0.027 -1.39 -0.9088 -0.6511 1221094 Maybridge3_006557 O=S(=O)(Cc1noc(n1)c2ccsc2)c3ccccn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 K02 compound treatment 0.26 0.0152 0.75 0.256 0.012 0.62 0.9637 0.9954 2078881 Maybridge3_006558 CC(C)c1nc(no1)c2ccc(s2)c3ccon3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 K03 compound treatment 0.275 0.0302 1.49 0.257 0.013 0.67 1.5225 0.9348 2078882 Maybridge3_006559 COc1ccc2C(=C(CCc2c1)/C=N/O)Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 K04 compound treatment 0.26 0.0152 0.75 0.26 0.016 0.82 1.1093 0.9989 2078883 Maybridge3_006560 OC(=O)c1cc(c(s1)C(F)(F)F)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 K05 compound treatment 0.261 0.0162 0.8 0.247 0.00297 0.15 0.6709 0.8277 2078884 Maybridge3_006561 FC(F)(F)c1ccc(SCc2ccc(cc2)c3ncns3)nc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 K06 compound treatment 0.512 0.267 13.16 0.495 0.251 12.92 18.4403 1.0 2078885 Maybridge3_006562 CSC(=CC(=O)c1nccs1)SC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 K07 compound treatment 0.252 0.00716 0.35 0.249 0.00497 0.26 0.4302 0.9875 1377165 Maybridge3_006563 COc1ccc(cc1)c2ocnc2C(=O)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 K08 compound treatment 0.278 0.0332 1.63 0.286 0.042 2.16 2.6826 0.9905 1247767 Maybridge3_006564 OC(COc1ccc(cc1)c2csnn2)CSc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 K09 compound treatment 0.259 0.0142 0.7 0.259 0.015 0.77 1.0381 0.9988 2078886 Maybridge3_006565 Clc1cccc(c1)c2ocnc2C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 K10 compound treatment 0.257 0.0122 0.6 0.257 0.013 0.67 0.8956 0.9985 1252523 Maybridge3_006566 Cc1nc(nc(N2CCCC2)c1Cl)c3ccccn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 K11 compound treatment 0.249 0.00416 0.2 0.251 0.00697 0.36 0.3986 0.9648 2078887 Maybridge3_006567 NC(=O)/C(=C\c1cccs1)/c2ccsc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 K12 compound treatment 0.244 -8.39E-4 -0.04 0.244 -3.23E-5 0.0 -0.0304 -0.7349 2078888 Maybridge3_006568 CN(C)C(=O)c1cc(c(s1)C(F)(F)F)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 K13 compound treatment 0.256 0.0112 0.55 0.248 0.00397 0.2 0.5331 0.9091 2078889 Maybridge3_006569 CC(C)c1nnc(o1)c2cc3sccc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 K14 compound treatment 0.255 0.0102 0.5 0.255 0.011 0.56 0.7531 0.9982 1349359 Maybridge3_006570 COc1ccc(NCC(O)CSc2ccc(OC)cc2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 K15 compound treatment 0.25 0.00516 0.25 0.253 0.00897 0.46 0.5062 0.9605 1205063 Maybridge3_006571 Clc1ccc(OCc2noc(n2)c3ccoc3)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 K16 compound treatment 0.268 0.0232 1.14 0.25 0.00597 0.31 1.0239 0.8667 2078890 Maybridge3_006572 CS(=O)(=O)/C(=C/c1cccn1S(=O)(=O)c2ccccc2)/C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 K17 compound treatment 0.255 0.0102 0.5 0.255 0.011 0.56 0.7531 0.9982 1501280 Maybridge3_006573 Cc1nc(ncc1c2nsc(Nc3ccccc3)n2)c4ccncc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 K18 compound treatment 0.26 0.0152 0.75 0.256 0.012 0.62 0.9637 0.9954 2078891 Maybridge3_006574 Nc1cc(n[nH]1)c2cc(c(s2)C(F)(F)F)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 K19 compound treatment 0.252 0.00716 0.35 0.246 0.00197 0.1 0.321 0.8748 2078892 Maybridge3_006575 CC(NC(=O)c1cc2sccc2s1)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 K20 compound treatment 0.253 0.00816 0.4 0.25 0.00597 0.31 0.5015 0.9912 2078893 Maybridge3_006576 Clc1snnc1COc2ccc3OCOc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 K21 compound treatment 0.247 0.00216 0.11 0.25 0.00597 0.31 0.2925 0.8996 1705633 Maybridge3_006577 OC(=O)C1C(C2CC1C=C2)C(=O)NCc3ccc(s3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 K22 compound treatment 0.255 0.0102 0.5 0.257 0.013 0.67 0.8259 0.9899 2078894 Maybridge3_006578 FC(F)(F)Oc1cc(Cl)ccc1NC(=O)c2ccco2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 K23 mock treatment 0.252 0.00716 0.35 0.249 0.00497 0.26 0.4302 0.9875 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 K24 mock treatment 0.253 0.00816 0.4 0.251 0.00697 0.36 0.5379 0.9984 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 L01 compound treatment 0.256 0.0112 0.55 0.247 0.00297 0.15 0.4967 0.8706 1268952 Maybridge3_006579 CSc1ccc(CNC(=O)c2ccc(Cl)cc2)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 L02 compound treatment 0.254 0.00916 0.45 0.256 0.012 0.62 0.7547 0.9883 2078895 Maybridge3_006580 Fc1ccc(/C=C/2\COC/C(=C\c3ccc(F)cc3)/C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 L03 compound treatment 0.255 0.0102 0.5 0.256 0.012 0.62 0.7895 0.9947 2078896 Maybridge3_006581 Cn1nc(NC(=O)C(F)(F)F)c(c1C(F)(F)F)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 L04 compound treatment 0.272 0.0272 1.34 0.278 0.034 1.75 2.1825 0.9913 1700210 Maybridge3_006582 CC(C)(C)c1nocc1C(=O)Nc2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 L05 compound treatment 0.254 0.00916 0.45 0.253 0.00897 0.46 0.6455 0.9999 2078897 Maybridge3_006583 OC(=O)/C=C/C(=O)N1CCN(CC1)c2cc(ccn2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 L06 compound treatment 0.251 0.00616 0.3 0.254 0.00997 0.51 0.5774 0.9686 1451552 Maybridge3_006584 Fc1cc(F)cc(CC(=O)Nc2ccccn2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 L07 compound treatment 0.252 0.00716 0.35 0.258 0.014 0.72 0.7579 0.9462 1599075 Maybridge3_006585 Clc1ccc(SCc2csc(n2)N3CCOCC3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 L08 compound treatment 0.249 0.00416 0.2 0.248 0.00397 0.2 0.2894 1.0 2078898 Maybridge3_006586 Cn1nc(c(c1N2C(=O)CSCC2=O)c3ccccc3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 L09 compound treatment 0.264 0.0192 0.94 0.266 0.022 1.13 1.467 0.996 2078899 Maybridge3_006587 Cc1nc(cs1)c2cc(Cl)c(Cl)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 L10 compound treatment 0.25 0.00516 0.25 0.25 0.00597 0.31 0.397 0.9956 2078900 Maybridge3_006588 CCOC(=O)Nc1ccc(OC)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 L11 compound treatment 0.26 0.0152 0.75 0.257 0.013 0.67 1.0001 0.9984 2078901 Maybridge3_006589 FC(F)(F)c1ccnc(OCCOC(=O)Nc2ccccc2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 L12 compound treatment 0.252 0.00716 0.35 0.246 0.00197 0.1 0.321 0.8748 2078902 Maybridge3_006590 CSc1nn(c(N)c1C#N)c2c(Cl)cc(cc2Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 L13 compound treatment 0.265 0.0202 0.99 0.253 0.00897 0.46 1.0286 0.9393 2078903 Maybridge3_006591 Cc1nn(c(C)c1c2nc(no2)c3ccccc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 L14 compound treatment 0.249 0.00416 0.2 0.25 0.00597 0.31 0.3622 0.9806 2078904 Maybridge3_006592 CCC(O)c1ccc(cc1)c2ccccc2F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 L15 compound treatment 0.25 0.00516 0.25 0.259 0.015 0.77 0.7246 0.893 1348389 Maybridge3_006593 CC(=O)N1CCC(CC1)C(=O)c2ccc(F)cc2F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 L16 compound treatment 0.259 0.0142 0.7 0.251 0.00697 0.36 0.7468 0.9522 1081844 Maybridge3_006594 OC(=O)CCOc1ccc(F)cc1F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 L17 compound treatment 0.266 0.0212 1.04 0.265 0.021 1.08 1.5003 0.9998 1208192 Maybridge3_006595 Cc1nnsc1C(=O)N2CCC(CC2)C(=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 L18 compound treatment 0.259 0.0142 0.7 0.256 0.012 0.62 0.9288 0.9981 1640708 Maybridge3_006596 Cc1sc(nc1CC(=O)O)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 L19 compound treatment 0.244 -8.39E-4 -0.04 0.241 -0.00303 -0.16 -0.1396 -0.8645 1357821 Maybridge3_006597 Cc1noc(C)c1C(=O)NCC(c2c[nH]c3ccccc23)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 L20 compound treatment 0.251 0.00616 0.3 0.25 0.00597 0.31 0.4318 1.0 1678952 Maybridge3_006598 CS(=O)(=O)CS(=O)(=O)NCc1ccc(Cl)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 L21 compound treatment 0.246 0.00116 0.06 0.247 0.00297 0.15 0.1485 0.9101 2078905 Maybridge3_006599 NCC(c1ccc[nH]1)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 L22 compound treatment 0.25 0.00516 0.25 0.254 0.00997 0.51 0.5426 0.9475 2078906 Maybridge3_006600 COc1ccc(NS(=O)(=O)c2sc(Cl)cc2Br)c(OC)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 L23 mock treatment 0.255 0.0102 0.5 0.256 0.012 0.62 0.7895 0.9947 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 L24 mock treatment 0.249 0.00416 0.2 0.248 0.00397 0.2 0.2894 1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 M01 compound treatment 0.249 0.00416 0.2 0.227 -0.017 -0.88 -0.4751 -0.5276 2078907 Maybridge3_006601 COC(=O)c1sc-2c(CSc3ccc(Cl)cc23)c1N(C(=O)C)C(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 M02 compound treatment 0.277 0.0322 1.58 0.267 0.023 1.18 1.9562 0.9896 2078908 Maybridge3_006602 O=C(NC(=O)c1ccc(s1)c2cccs2)SCc3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 M03 compound treatment 0.251 0.00616 0.3 0.254 0.00997 0.51 0.5774 0.9686 2078909 Maybridge3_006603 CN(NC1OC(=O)c2ccccc12)c3ncc(Cl)cc3C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 M04 compound treatment 0.257 0.0122 0.6 0.254 0.00997 0.51 0.7864 0.997 2078910 Maybridge3_006604 CC(C)(C)NS(=O)(=O)c1sc(Br)cc1Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 M05 compound treatment 0.253 0.00816 0.4 0.244 -3.23E-5 0.0 0.2831 0.7042 2078911 Maybridge3_006605 OC(=O)c1cc2sccc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 M06 compound treatment 0.267 0.0222 1.09 0.273 0.029 1.49 1.8263 0.9882 2078912 Maybridge3_006606 FC(F)(F)c1ccc(cc1)c2snc(N3CCOCC3)c2C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 M07 compound treatment 0.249 0.00416 0.2 0.24 -0.00403 -0.21 -0.0019 -0.0064 2078913 Maybridge3_006607 OC(=O)c1ncoc1c2cccc(c2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 M08 compound treatment 0.259 0.0142 0.7 0.267 0.023 1.18 1.3293 0.9683 2078914 Maybridge3_006608 Cn1ccc(n1)c2nc3ccccc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 M09 compound treatment 0.252 0.00716 0.35 0.251 0.00697 0.36 0.503 1.0 2078915 Maybridge3_006609 Clc1cc(/C=C(\C#N)/S(=O)(=O)c2ccccc2)c(Cl)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 M10 compound treatment 0.264 0.0192 0.94 0.272 0.028 1.44 1.6854 0.979 1575476 Maybridge3_006610 CN(Cc1ccccc1)c2nc(nc(C)c2Cl)c3ccccn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 M11 compound treatment 0.249 0.00416 0.2 0.248 0.00397 0.2 0.2894 1.0 2078916 Maybridge3_006611 FC(F)(F)Oc1ccccc1/C=C(\C#N)/S(=O)(=O)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 M12 compound treatment 0.264 0.0192 0.94 0.263 0.019 0.98 1.3578 0.9999 1365988 Maybridge3_006612 COc1ccccc1c2csc(Nc3cccnc3)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 M13 compound treatment 0.263 0.0182 0.89 0.254 0.00997 0.51 0.9954 0.9652 2078917 Maybridge3_006613 N#Cc1ccc(s1)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 M14 compound treatment 0.268 0.0232 1.14 0.277 0.033 1.7 2.0067 0.9813 2078918 Maybridge3_006614 CS(=O)(=O)/C(=C/c1c(nc2SCCn12)c3ccccc3)/C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 M15 compound treatment 0.253 0.00816 0.4 0.259 0.015 0.77 0.8291 0.954 2078919 Maybridge3_006615 CC(C)(C)C(=O)n1nccc1c2ccc(s2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 M16 compound treatment 0.245 1.61E-4 0.01 0.245 9.68E-4 0.05 0.0408 0.8096 2078920 Maybridge3_006616 CS(=O)(=O)Nc1csc2cc(cc(Cl)c12)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 M17 compound treatment 0.253 0.00816 0.4 0.251 0.00697 0.36 0.5379 0.9984 1691830 Maybridge3_006617 Fc1ccc2OCc3cnc(nc3-c2c1)C4CC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 M18 compound treatment 0.248 0.00316 0.16 0.25 0.00597 0.31 0.3273 0.9504 2078921 Maybridge3_006618 Cc1nc(no1)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 M19 compound treatment 0.25 0.00516 0.25 0.252 0.00797 0.41 0.4698 0.9735 2078922 Maybridge3_006619 CN(C(=O)c1cc2sccc2s1)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 M20 compound treatment 0.249 0.00416 0.2 0.243 -0.00103 -0.05 0.1073 0.507 2078923 Maybridge3_006620 OC1CS(=O)(=O)CC1S(=O)(=O)Cc2cccc(c2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 M21 compound treatment 0.251 0.00616 0.3 0.25 0.00597 0.31 0.4318 1.0 2078924 Maybridge3_006621 Cc1cc(cc(C)c1C(=O)O)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 M22 compound treatment 0.251 0.00616 0.3 0.252 0.00797 0.41 0.5046 0.989 1433456 Maybridge3_006622 CC(=O)Nc1ccc2OCOCc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 M23 mock treatment 0.245 1.61E-4 0.01 0.247 0.00297 0.15 0.1137 0.7429 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 M24 mock treatment 0.238 -0.00684 -0.34 0.23 -0.014 -0.72 -0.749 -0.9397 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 N01 compound treatment 0.246 0.00116 0.06 0.219 -0.025 -1.29 -0.8708 -0.6751 1297169 Maybridge3_006623 CSc1ccc(CNC(=O)c2cccs2)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 N02 compound treatment 0.239 -0.00584 -0.29 0.244 -3.23E-5 0.0 -0.2045 -0.7112 2078925 Maybridge3_006624 Clc1ccc(cc1)S(=O)(=O)n2cc3COCCc3n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 N03 compound treatment 0.259 0.0142 0.7 0.259 0.015 0.77 1.0381 0.9988 2078926 Maybridge3_006625 Fc1ccc(cc1)c2csc(n2)c3ccsc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 N04 compound treatment 0.237 -0.00784 -0.39 0.242 -0.00203 -0.1 -0.347 -0.8674 1443238 Maybridge3_006626 CC(C)(C)c1nocc1C(=O)N2CCOCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 N05 compound treatment 0.251 0.00616 0.3 0.246 0.00197 0.1 0.2862 0.8946 2078927 Maybridge3_006627 Cc1cc(C)n(n1)c2ccc(cc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 N06 compound treatment 0.254 0.00916 0.45 0.249 0.00497 0.26 0.4999 0.9638 1216798 Maybridge3_006628 Cc1cc(NC(=O)Cc2cc(F)cc(F)c2)no1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 N07 compound treatment 0.247 0.00216 0.11 0.248 0.00397 0.2 0.2197 0.9539 2078928 Maybridge3_006629 CCOc1cc(cnc1/C(=N/O)/N)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 N08 compound treatment 0.241 -0.00384 -0.19 0.241 -0.00303 -0.16 -0.2441 -0.9955 2078929 Maybridge3_006630 Cn1nc(c(c1NC(=O)C2C(C3CC2C=C3)C(=O)O)c4ccccc4)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 N09 compound treatment 0.239 -0.00584 -0.29 0.239 -0.00503 -0.26 -0.3865 -0.9986 2078930 Maybridge3_006631 FC(F)(F)c1ccc(cc1)C(=O)N2CCN(CC2)c3cc(ccn3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 N10 compound treatment 0.238 -0.00684 -0.34 0.249 0.00497 0.26 -0.0573 -0.1356 2078931 Maybridge3_006632 Cc1nnc(o1)c2cc(oc2C(F)(F)F)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 N11 compound treatment 0.24 -0.00484 -0.24 0.251 0.00697 0.36 0.0851 0.1977 2078932 Maybridge3_006633 COc1ccc(cc1)c2cn(nc2C)C(=O)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 N12 compound treatment 0.243 -0.00184 -0.09 0.239 -0.00503 -0.26 -0.2472 -0.9008 2078933 Maybridge3_006634 NCc1c(Cl)cc(cc1Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 N13 compound treatment 0.244 -8.39E-4 -0.04 0.249 0.00497 0.26 0.1516 0.5853 2078934 Maybridge3_006635 OC(=O)CCc1nc(no1)c2ccc(cc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 N14 compound treatment 0.241 -0.00384 -0.19 0.241 -0.00303 -0.16 -0.2441 -0.9955 1180894 Maybridge3_006636 COc1ccccc1c2nc(CSc3ccccc3N)no2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 N15 compound treatment 0.26 0.0152 0.75 0.255 0.011 0.56 0.9273 0.9905 2078935 Maybridge3_006637 Cc1cc(/C=C(\C#N)/S(=O)(=O)c2ccccc2)c(C)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 N16 compound treatment 0.305 0.0602 2.96 0.292 0.048 2.47 3.8414 0.9959 2078936 Maybridge3_006638 O=S(=O)(/C(=C/c1ccccc1N2CCOCC2)/C#N)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 N17 compound treatment 0.242 -0.00284 -0.14 0.252 0.00797 0.41 0.1912 0.4412 1258535 Maybridge3_006639 Clc1ccc(SCC(=O)N2CCC(CC2)C(=O)c3ccccc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 N18 compound treatment 1.393 1.15 56.55 1.501 1.26 64.71 85.7437 0.9977 2078937 Maybridge3_006640 Cc1cc(C)c(C=C2C(=O)CCCC2=O)[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 N19 compound treatment 0.239 -0.00584 -0.29 0.24 -0.00403 -0.21 -0.3501 -0.9872 2078938 Maybridge3_006641 FC(F)(F)C(=O)NCC(c1c[nH]c2ccccc12)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 N20 compound treatment 0.24 -0.00484 -0.24 0.249 0.00497 0.26 0.0123 0.0352 1511065 Maybridge3_006642 NC(=O)c1sc(C#N)c2CCCCc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 N21 compound treatment 0.249 0.00416 0.2 0.247 0.00297 0.15 0.253 0.9895 2078939 Maybridge3_006643 CCS(=O)(=O)c1ccc(C#N)cn1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 N22 compound treatment 0.248 0.00316 0.16 0.244 -3.23E-5 0.0 0.1089 0.6995 2078940 Maybridge3_006644 Clc1ccc(cc1)n2cccc2/C=C(\C#N)/S(=O)(=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 N23 mock treatment 0.248 0.00316 0.16 0.248 0.00397 0.2 0.2545 0.991 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 N24 mock treatment 0.234 -0.0108 -0.53 0.236 -0.00803 -0.41 -0.6699 -0.992 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 O01 compound treatment 0.246 0.00116 0.06 0.247 0.00297 0.15 0.1485 0.9101 2078941 Maybridge3_006645 Clc1ccc(NC(=O)CCSc2cccs2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 O02 compound treatment 0.261 0.0162 0.8 0.264 0.02 1.03 1.2897 0.992 2078942 Maybridge3_006646 CS/C(=N\C#N)/NCc1ccc(s1)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 O03 compound treatment 0.243 -0.00184 -0.09 0.237 -0.00703 -0.36 -0.32 -0.8576 2078943 Maybridge3_006647 CN(NC1OC(=O)c2ccccc12)c3ncc(cc3Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 O04 compound treatment 0.254 0.00916 0.45 0.247 0.00297 0.15 0.4271 0.8965 2078944 Maybridge3_006648 Brc1cc(Br)c(s1)S(=O)(=O)N2CCSCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 O05 compound treatment 0.27 0.0252 1.24 0.255 0.011 0.56 1.2755 0.9366 2078945 Maybridge3_006649 FC(F)(F)c1cccc(c1)c2noc(n2)c3ccsc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 O06 compound treatment 0.31 0.0652 3.21 0.327 0.083 4.27 5.2896 0.9901 2078946 Maybridge3_006650 Fc1ccc(cc1F)c2cc3ccccc3[nH]2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 O07 compound treatment 0.248 0.00316 0.16 0.245 9.68E-4 0.05 0.1453 0.889 2078947 Maybridge3_006651 OC(=O)c1ncoc1c2ccccc2Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 O08 compound treatment 0.251 0.00616 0.3 0.252 0.00797 0.41 0.5046 0.989 2078948 Maybridge3_006652 Cn1cc(c(n1)C(F)(F)F)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 O09 compound treatment 0.249 0.00416 0.2 0.246 0.00197 0.1 0.2166 0.9472 2078949 Maybridge3_006653 COC(=O)c1sccc1c2ccc(/C=N/c3ccc(Cl)cc3)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 O10 compound treatment 0.257 0.0122 0.6 0.255 0.011 0.56 0.8228 0.9996 1414634 Maybridge3_006654 Cc1nc(nc(NCCc2ccccc2)c1Cl)c3ccccn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 O11 compound treatment 0.243 -0.00184 -0.09 0.243 -0.00103 -0.05 -0.1016 -0.9677 2078950 Maybridge3_006655 CC(C)S(=O)(=O)/C(=C/c1ccccc1OC(F)(F)F)/C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 O12 compound treatment 0.244 -8.39E-4 -0.04 0.248 0.00397 0.2 0.1152 0.5529 1178305 Maybridge3_006656 Cc1ccc(cc1)S(=O)(=O)CC(C)(O)CS(=O)(=O)c2ccc(C)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 O13 compound treatment 0.266 0.0212 1.04 0.251 0.00697 0.36 0.9906 0.8987 2078951 Maybridge3_006657 NC1=C(C#N)C(C2=C(O1)c3cc(F)ccc3OC2)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 O14 compound treatment 0.279 0.0342 1.68 0.267 0.023 1.18 2.0258 0.9851 2078952 Maybridge3_006658 CCOC(=O)c1c[nH]c2c(c(sc2c1=O)C(F)(F)F)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 O15 compound treatment 0.253 0.00816 0.4 0.263 0.019 0.98 0.9747 0.923 2078953 Maybridge3_006659 Fc1ccc(CNS(=O)(=O)c2ccc(s2)c3ccon3)c(F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 O16 compound treatment 0.267 0.0222 1.09 0.257 0.013 0.67 1.2439 0.9722 2078954 Maybridge3_006660 FC(F)(F)c1sc(cc1c2ccccc2)C(=O)CC#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 O17 compound treatment 0.256 0.0112 0.55 0.249 0.00497 0.26 0.5696 0.9394 2078955 Maybridge3_006661 Clc1cccc(c1)c2noc(n2)c3ccsc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 O18 compound treatment 0.25 0.00516 0.25 0.252 0.00797 0.41 0.4698 0.9735 1157141 Maybridge3_006662 OC(=O)Cc1csc(n1)c2cnccn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 O19 compound treatment 0.245 1.61E-4 0.01 0.242 -0.00203 -0.1 -0.0684 -0.6515 2078956 Maybridge3_006663 Clc1ccc(cc1)C(=O)NCc2ccc(s2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 O20 compound treatment 0.247 0.00216 0.11 0.244 -3.23E-5 0.0 0.0741 0.696 2078957 Maybridge3_006664 CCOC(=O)c1csc(n1)c2snnc2C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 O21 compound treatment 0.243 -0.00184 -0.09 0.243 -0.00103 -0.05 -0.1016 -0.9677 2078958 Maybridge3_006665 Cc1oc2c(F)c(F)c(F)c(F)c2c1/C(=N/O)/N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 O22 compound treatment 0.24 -0.00484 -0.24 0.245 9.68E-4 0.05 -0.1333 -0.5475 2078959 Maybridge3_006666 FC(F)(F)/C(=C(/C#N)\c1ccccc1)/Oc2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 O23 mock treatment 0.246 0.00116 0.06 0.245 9.68E-4 0.05 0.0757 0.9976 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 O24 mock treatment 0.223 -0.0218 -1.08 0.229 -0.015 -0.77 -1.3078 -0.987 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 P01 compound treatment 0.225 -0.0198 -0.98 0.201 -0.043 -2.22 -2.2574 -0.9323 1288822 Maybridge3_006667 CSc1ccc(CNC(=O)c2c(C)noc2C)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 P02 compound treatment 0.234 -0.0108 -0.53 0.217 -0.027 -1.39 -1.3615 -0.9135 2078960 Maybridge3_006668 FC(F)(F)c1cc(cc(c1)S(=O)(=O)n2cc3COCCc3n2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 P03 compound treatment 0.256 0.0112 0.55 0.23 -0.014 -0.72 -0.1221 -0.1345 1562117 Maybridge3_006669 O=C(Oc1ccc2C(=O)COc2c1)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 P04 compound treatment 0.263 0.0182 0.89 0.28 0.036 1.85 1.9418 0.9443 1384036 Maybridge3_006670 CC(=O)Nc1ccc(OC(=O)c2conc2C(C)(C)C)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 P05 compound treatment 0.253 0.00816 0.4 0.248 0.00397 0.2 0.4287 0.9507 2078961 Maybridge3_006671 CS(=O)(=O)/C(=C\c1ccc(Cl)s1)/C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 P06 compound treatment 0.249 0.00416 0.2 0.246 0.00197 0.1 0.2166 0.9472 2078962 Maybridge3_006672 Cn1nc(c(c1N)c2ccccc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 P07 compound treatment 0.247 0.00216 0.11 0.247 0.00297 0.15 0.1833 0.9844 2078963 Maybridge3_006673 CCOc1cc(cnc1C(=N)N)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 P08 compound treatment 0.26 0.0152 0.75 0.254 0.00997 0.51 0.8909 0.9832 2078964 Maybridge3_006674 Fc1ccc(/C=N\c2ccc(cc2)n3cccc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 P09 compound treatment 0.238 -0.00684 -0.34 0.241 -0.00303 -0.16 -0.3486 -0.9389 2078965 Maybridge3_006675 Cc1nnsc1C(=O)N2CCN(CC2)c3cc(ccn3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 P10 compound treatment 0.242 -0.00284 -0.14 0.242 -0.00203 -0.1 -0.1728 -0.9898 2078966 Maybridge3_006676 COC(=O)c1cc(=O)c2cc(ccc2[nH]1)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 P11 compound treatment 0.248 0.00316 0.16 0.243 -0.00103 -0.05 0.0725 0.4408 2078967 Maybridge3_006677 CC(C)(C)/C(=N/O)/c1cccs1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 P12 compound treatment 0.267 0.0222 1.09 0.266 0.022 1.13 1.5715 0.9998 1479523 Maybridge3_006678 Fc1cccc(F)c1NC(=O)CC2(CC3CC4CC(C3)C2)C4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 P13 compound treatment 0.268 0.0232 1.14 0.277 0.033 1.7 2.0067 0.9813 1973 Maybridge3_006679 Cc1nnsc1C(=O)Nc2ccc(cc2)n3nc(cc3C(F)(F)F)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 P14 compound treatment 0.248 0.00316 0.16 0.251 0.00697 0.36 0.3637 0.9302 2078968 Maybridge3_006680 Fc1ccccc1c2ccc(C#N)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 P15 compound treatment 0.239 -0.00584 -0.29 0.235 -0.00903 -0.46 -0.5321 -0.9733 2078969 Maybridge3_006681 FC(F)(F)c1cccc(c1)C(=O)N2CCC(CC2)C(=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 P16 compound treatment 0.352 0.107 5.28 0.343 0.099 5.09 7.3348 0.9998 2078970 Maybridge3_006682 O=C/1Nc2ccccc2\C1=C\c3ccccc3N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 P17 compound treatment 0.244 -8.39E-4 -0.04 0.248 0.00397 0.2 0.1152 0.5529 1453509 Maybridge3_006683 Clc1ccc(cc1)S(=O)(=O)CC(=O)N2CCC(CC2)C(=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 P18 compound treatment 0.25 0.00516 0.25 0.245 9.68E-4 0.05 0.215 0.8299 1177161 Maybridge3_006684 CC(=O)N(CC(=O)O)c1ccccc1C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 P19 compound treatment 0.248 0.00316 0.16 0.247 0.00297 0.15 0.2181 1.0 1577874 Maybridge3_006685 Cc1ccc(C)n1CCN2CCN(CC2)S(=O)(=O)c3cc(Br)c(Br)s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 P20 compound treatment 0.252 0.00716 0.35 0.249 0.00497 0.26 0.4302 0.9875 2078971 Maybridge3_006686 COC(=S)Nc1ccccc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 P21 compound treatment 0.247 0.00216 0.11 0.241 -0.00303 -0.16 -0.0351 -0.1858 1228323 Maybridge3_006687 Cc1ccc(cc1)C(=O)C2CCNCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 P22 compound treatment 0.243 -0.00184 -0.09 0.235 -0.00903 -0.46 -0.3928 -0.8292 1265094 Maybridge3_006688 CCCOc1ccc(NC(=O)c2ccccc2C(=O)O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 P23 mock treatment 0.245 1.61E-4 0.01 0.242 -0.00203 -0.1 -0.0684 -0.6515 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1449 P24 mock treatment 0.225 -0.0198 -0.98 0.238 -0.00603 -0.31 -0.9105 -0.8881 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 A01 compound treatment 0.195 -0.0471 -2.32 0.202 -0.0407 -2.1 -3.121 -0.9987 2078972 Maybridge3_006689 COC(=O)/C=C/C(=O)N1CCN(CC1)c2ccccc2OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 A02 compound treatment 0.216 -0.0261 -1.28 0.223 -0.0197 -1.01 -1.6252 -0.9932 2078973 Maybridge3_006690 FC(F)(F)c1cccc(CSCCN2C(=O)CCC2=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 A03 compound treatment 0.235 -0.00706 -0.35 0.229 -0.0137 -0.71 -0.7451 -0.9469 2078974 Maybridge3_006691 COc1ccc(cc1)c2n[nH]cc2/C=C(\C#N)/S(=O)(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 A04 compound treatment 0.22 -0.0221 -1.09 0.234 -0.00871 -0.45 -1.0855 -0.9233 2078975 Maybridge3_006692 CSC(=N)NCc1ccco1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 A05 compound treatment 0.219 -0.0231 -1.14 0.229 -0.0137 -0.71 -1.3023 -0.9738 1406919 Maybridge3_006693 Cc1noc(C)c1S(=O)(=O)N2CCCCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 A06 compound treatment 0.243 9.35E-4 0.05 0.241 -0.00171 -0.09 -0.0297 -0.2985 2078976 Maybridge3_006694 Cc1oc(cc1c2cc[nH]n2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 A07 compound treatment 0.236 -0.00606 -0.3 0.241 -0.00171 -0.09 -0.2734 -0.8781 2078977 Maybridge3_006695 Nc1ccc(Sc2ccccc2)nc1Sc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 A08 compound treatment 0.232 -0.0101 -0.5 0.24 -0.00271 -0.14 -0.4492 -0.8722 1266178 Maybridge3_006696 Cc1oc(cc1c2cc(N)n(C)n2)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 A09 compound treatment 0.234 -0.00806 -0.4 0.242 -7.1E-4 -0.04 -0.3067 -0.7689 1370269 Maybridge3_006697 COc1ccc(cc1)c2nnc(o2)c3c(C)noc3C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 A10 compound treatment 0.293 0.0509 2.51 0.28 0.0373 1.92 3.1314 0.9913 1714830 Maybridge3_006698 Cc1c(cc(n1c2ccccc2)C(C)(C)C)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 A11 compound treatment 0.237 -0.00506 -0.25 0.24 -0.00271 -0.14 -0.275 -0.9623 2078978 Maybridge3_006699 C/C=C/C(=O)Nc1ccc(nc1)N2CCN(CC2)c3ccc(cn3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 A12 compound treatment 0.265 0.0229 1.13 0.264 0.0213 1.1 1.5738 0.9999 2078979 Maybridge3_006700 Cc1c(cc(c2ccccc2)n1c3ccccc3)C(=O)NCCCN4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 A13 compound treatment 0.255 0.0129 0.64 0.249 0.00629 0.32 0.6795 0.9508 2078980 Maybridge3_006701 COc1ccc(/N=C/c2ccccc2N3CCN(C)CC3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 A14 compound treatment 0.251 0.00894 0.44 0.252 0.00929 0.48 0.6494 0.9991 2078981 Maybridge3_006702 Fc1ccc(cc1F)c2csc(CC#N)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 A15 compound treatment 0.234 -0.00806 -0.4 0.242 -7.1E-4 -0.04 -0.3067 -0.7689 1351507 Maybridge3_006703 COc1ccc(cc1)C(=O)N2CCC(CC2)C(=O)c3c(C)cc(C)cc3C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 A16 compound treatment 0.231 -0.0111 -0.54 0.238 -0.00471 -0.24 -0.5568 -0.9335 1137638 Maybridge3_006704 Cc1c(sc2ccccc12)c3csc(CS(=O)(=O)C(C)(C)C)n3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 A17 compound treatment 0.239 -0.00306 -0.15 0.236 -0.00671 -0.35 -0.351 -0.9311 2078982 Maybridge3_006705 O=C(c1cccs1)n2nccc2c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 A18 compound treatment 0.236 -0.00606 -0.3 0.235 -0.00771 -0.4 -0.4919 -0.9902 1632705 Maybridge3_006706 Fc1cccc(c1)c2csc(n2)c3ccno3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 A19 compound treatment 0.218 -0.0241 -1.19 0.226 -0.0167 -0.86 -1.4464 -0.9876 2078983 Maybridge3_006707 COc1ccccc1N2CCN(C/C(=N/O)/N)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 A20 compound treatment 0.213 -0.0291 -1.43 0.225 -0.0177 -0.91 -1.6569 -0.9763 1180116 Maybridge3_006708 CC(C)(C)c1cc(c2nc(no2)c3ccccn3)n(Cc4ccccc4)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 A21 compound treatment 0.223 -0.0191 -0.94 0.228 -0.0147 -0.76 -1.1994 -0.9943 1166168 Maybridge3_006709 CCOC(=O)c1csc(Nc2ccncc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 A22 compound treatment 0.219 -0.0231 -1.14 0.221 -0.0217 -1.12 -1.5936 -1.0 2078984 Maybridge3_006710 COc1ccc(Br)c(c1)c2nc(no2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 A23 mock treatment 0.227 -0.0151 -0.74 0.236 -0.00671 -0.35 -0.7689 -0.9395 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 A24 mock treatment 0.184 -0.0581 -2.86 0.185 -0.0577 -2.97 -4.123 -0.9998 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 B01 compound treatment 0.237 -0.00506 -0.25 0.242 -7.1E-4 -0.04 -0.2022 -0.8021 1630663 Maybridge3_006711 CCCc1ccc(cc1)c2nc(CS(=O)(=O)C(C)(C)C)no2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 B02 compound treatment 0.262 0.0199 0.98 0.242 -7.1E-4 -0.04 0.6685 0.6803 2078985 Maybridge3_006712 Cc1cc(O)nc(Cc2c(Cl)cccc2Cl)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 B03 compound treatment 0.254 0.0119 0.59 0.25 0.00729 0.38 0.6811 0.9765 2078986 Maybridge3_006713 c1csc(c1)c2noc(n2)c3ccno3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 B04 compound treatment 0.254 0.0119 0.59 0.255 0.0123 0.63 0.8631 0.9993 2078987 Maybridge3_006714 CCOC(=O)c1nc(no1)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 B05 compound treatment 0.268 0.0259 1.28 0.267 0.0243 1.25 1.7875 0.9999 2078988 Maybridge3_006715 Nc1cc(nn1c2ccc(I)cc2)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 B06 compound treatment 0.254 0.0119 0.59 0.257 0.0143 0.74 0.9359 0.9938 2078989 Maybridge3_006716 CSc1nnc(O)n1c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 B07 compound treatment 0.259 0.0169 0.83 0.257 0.0143 0.74 1.11 0.998 1354989 Maybridge3_006717 CSc1c(C#N)c(nn1C)c2cc(oc2C)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 B08 compound treatment 0.264 0.0219 1.08 0.261 0.0183 0.94 1.4298 0.9977 2078990 Maybridge3_006718 O=C(Oc1ccc(cc1)C2SCCS2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 B09 compound treatment 0.283 0.0409 2.02 0.281 0.0383 1.97 2.8195 0.9999 1422760 Maybridge3_006719 COc1ccc2[nH]c(cc2c1)C(=O)Nc3ccc4OCOc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 B10 compound treatment 0.256 0.0139 0.69 0.258 0.0153 0.79 1.0419 0.9977 2078991 Maybridge3_006720 CN/C(=C(/C(=O)OC)\C(=O)c1ccccc1F)/C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 B11 compound treatment 0.292 0.0499 2.46 0.287 0.0443 2.28 3.3514 0.9993 1170897 Maybridge3_006721 COc1ccc2[nH]c(cc2c1)C(=O)NCc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 B12 compound treatment 0.253 0.0109 0.54 0.253 0.0103 0.53 0.7554 1.0 2078992 Maybridge3_006722 CCOC(=O)c1cc(n[nH]1)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 B13 compound treatment 0.276 0.0339 1.67 0.268 0.0253 1.3 2.1025 0.9924 1345551 Maybridge3_006723 Cc1ccc(cc1)C(=O)Nc2nn(C)c3cccc(F)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 B14 compound treatment 0.259 0.0169 0.83 0.254 0.0113 0.58 1.0008 0.9844 2078993 Maybridge3_006724 COCc1cc(O)nc(n1)c2ccc(cc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 B15 compound treatment 0.258 0.0159 0.78 0.257 0.0143 0.74 1.0752 0.9995 2078994 Maybridge3_006725 CCC(=O)Nc1nn(C)c2cccc(F)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 B16 compound treatment 0.268 0.0259 1.28 0.268 0.0253 1.3 1.8239 1.0 2078995 Maybridge3_006726 CCOC(=O)c1nc(no1)c2cccc(c2)n3cccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 B17 compound treatment 0.273 0.0309 1.52 0.271 0.0283 1.46 2.1072 0.9997 1456423 Maybridge3_006727 CS(=O)(=O)Nc1ccc2[nH]cc(C#N)c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 B18 compound treatment 0.258 0.0159 0.78 0.257 0.0143 0.74 1.0752 0.9995 2078996 Maybridge3_006728 CCOC(=O)CSc1nnc(OCC)n1c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 B19 compound treatment 0.26 0.0179 0.88 0.26 0.0173 0.89 1.254 1.0 2078997 Maybridge3_006729 CCCc1c(cnn1c2cc(Cl)cc(Cl)c2)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 B20 compound treatment 0.254 0.0119 0.59 0.256 0.0133 0.68 0.8995 0.9971 2078998 Maybridge3_006730 Clc1ccc(cc1)c2nc(no2)c3cccc(c3)n4cccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 B21 compound treatment 0.257 0.0149 0.74 0.259 0.0163 0.84 1.1132 0.9979 1107528 Maybridge3_006731 CSc1nc(n[nH]1)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 B22 compound treatment 0.25 0.00794 0.39 0.248 0.00529 0.27 0.4689 0.9844 2078999 Maybridge3_006732 FC(F)(F)c1nnc2scc(c3ccc(Cl)cc3)n12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 B23 mock treatment 0.252 0.00994 0.49 0.253 0.0103 0.53 0.7206 0.9992 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 B24 mock treatment 0.219 -0.0231 -1.14 0.229 -0.0137 -0.71 -1.3023 -0.9738 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 C01 compound treatment 0.207 -0.0351 -1.73 0.213 -0.0297 -1.53 -2.3027 -0.9982 2079000 Maybridge3_006733 Cc1oc(N)c(c1C)S(=O)(=O)/C(=C/c2ccc(C)cc2)/C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 C02 compound treatment 0.239 -0.00306 -0.15 0.232 -0.0107 -0.55 -0.4966 -0.8687 1175093 Maybridge3_006734 CCOC(=O)c1sc(CN2CCN(CC2)c3cccc(Cl)c3)nc1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 C03 compound treatment 0.255 0.0129 0.64 0.257 0.0143 0.74 0.9707 0.9974 1095917 Maybridge3_006735 CCOC(=O)c1cc(OC(=O)C)c2ccc(OC)c(OC)c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 C04 compound treatment 0.246 0.00394 0.19 0.248 0.00529 0.27 0.3296 0.9861 2079001 Maybridge3_006736 CCOC(=O)c1c(C)n[nH]c1Nc2cccc(Cl)c2Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 C05 compound treatment 0.245 0.00294 0.14 0.242 -7.1E-4 -0.04 0.0764 0.5123 1355615 Maybridge3_006737 Cc1noc(C)c1S(=O)(=O)NCc2ccccn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 C06 compound treatment 0.265 0.0229 1.13 0.269 0.0263 1.35 1.7558 0.996 2079002 Maybridge3_006738 COC(=O)c1c(C)[nH]c(C)c1c2cc[nH]n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 C07 compound treatment 0.244 0.00194 0.1 0.246 0.00329 0.17 0.1872 0.963 2079003 Maybridge3_006739 OC(=O)/C=C/C(=O)N1CCN(CC1)c2ncccc2C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 C08 compound treatment 0.303 0.0609 3.0 0.315 0.0723 3.72 4.7537 0.9943 1217553 Maybridge3_006740 Cc1oc(cc1c2cc(NC(=O)c3ccccc3)[nH]n2)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 C09 compound treatment 0.248 0.00594 0.29 0.247 0.00429 0.22 0.3629 0.9904 2079004 Maybridge3_006741 CC(=O)Nc1ccc(nc1)N2CCN(CC2)c3ccc(cn3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 C10 compound treatment 0.257 0.0149 0.74 0.259 0.0163 0.84 1.1132 0.9979 1425120 Maybridge3_006742 Cc1cc(C(=O)Nc2ccccc2)c(C)n1Cc3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 C11 compound treatment 0.242 -6.45E-5 0.0 0.244 0.00129 0.07 0.0447 0.6725 2079005 Maybridge3_006743 CN(C)c1ccc(cn1)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 C12 compound treatment 0.25 0.00794 0.39 0.249 0.00629 0.32 0.5054 0.9956 2079006 Maybridge3_006744 Cc1nc(cs1)c2c(C)onc2c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 C13 compound treatment 0.251 0.00894 0.44 0.248 0.00529 0.27 0.5038 0.9734 2079007 Maybridge3_006745 CN1CCN(CC1)c2ccccc2/C=N/c3ccc(cc3)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 C14 compound treatment 0.242 -6.45E-5 0.0 0.243 2.9E-4 0.01 0.0083 0.5446 1435999 Maybridge3_006746 N#CCc1nc(cs1)c2ccc3OCCCOc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 C15 compound treatment 0.238 -0.00406 -0.2 0.237 -0.00571 -0.29 -0.3494 -0.9825 2079008 Maybridge3_006747 Brc1ccc(cc1)c2csc(n2)c3cnccn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 C16 compound treatment 0.253 0.0109 0.54 0.255 0.0123 0.63 0.8282 0.9968 1502989 Maybridge3_006748 CC(C)(C)S(=O)(=O)Cc1nc(cs1)c2ccc(C#N)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 C17 compound treatment 0.252 0.00994 0.49 0.252 0.00929 0.48 0.6842 0.9999 1219997 Maybridge3_006749 Clc1ccc(cc1)C(=O)N2CCC(CC2)c3nc(no3)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 C18 compound treatment 0.253 0.0109 0.54 0.256 0.0133 0.68 0.8647 0.993 1522426 Maybridge3_006750 CC(C)(C)C(=O)OCc1nc(cs1)c2ccc3OCCCOc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 C19 compound treatment 0.242 -6.45E-5 0.0 0.246 0.00329 0.17 0.1175 0.6937 1540457 Maybridge3_006751 CC(C)(C)c1cc(n(n1)c2ccc(cc2)N3CC(CC3=O)C(=O)O)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 C20 compound treatment 0.245 0.00294 0.14 0.248 0.00529 0.27 0.2948 0.9561 2079009 Maybridge3_006752 FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2noc(n2)c3ccno3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 C21 compound treatment 0.243 9.35E-4 0.05 0.245 0.00229 0.12 0.116 0.916 2079010 Maybridge3_006753 COc1cccc(/C=N/C2CCN(Cc3ccccc3)CC2)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 C22 compound treatment 0.245 0.00294 0.14 0.246 0.00329 0.17 0.222 0.9969 2079011 Maybridge3_006754 Fc1ccc(CS(=O)(=O)Cc2noc(n2)c3ccc(OC(F)(F)F)cc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 C23 mock treatment 0.235 -0.00706 -0.35 0.242 -7.1E-4 -0.04 -0.2719 -0.7771 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 C24 mock treatment 0.223 -0.0191 -0.94 0.224 -0.0187 -0.96 -1.345 -0.9999 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 D01 compound treatment 0.238 -0.00406 -0.2 0.238 -0.00471 -0.24 -0.313 -0.9955 2079012 Maybridge3_006755 CCCc1ccc(cc1)c2nc(no2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 D02 compound treatment 0.25 0.00794 0.39 0.247 0.00429 0.22 0.4325 0.9635 2079013 Maybridge3_006756 CSc1nc(n[nH]1)c2ccco2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 D03 compound treatment 0.261 0.0189 0.93 0.26 0.0173 0.89 1.2889 0.9997 2079014 Maybridge3_006757 Nc1cc(nn1c2ccc(I)cc2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 D04 compound treatment 0.287 0.0449 2.21 0.287 0.0443 2.28 3.1772 0.9999 2079015 Maybridge3_006758 Oc1nnc(SCc2ccccc2)n1c3cccc(Cl)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 D05 compound treatment 0.255 0.0129 0.64 0.251 0.00829 0.43 0.7523 0.981 1707178 Maybridge3_006759 Cc1oc(cc1C(=O)N2CCOCC2)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 D06 compound treatment 0.252 0.00994 0.49 0.258 0.0153 0.79 0.9026 0.9738 2079016 Maybridge3_006760 Oc1nnc(SCC#N)n1c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 D07 compound treatment 0.275 0.0329 1.62 0.279 0.0363 1.87 2.4681 0.9975 1523942 Maybridge3_006761 Cc1oc(cc1C(=O)N2CCN(Cc3ccccc3)CC2)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 D08 compound treatment 0.272 0.0299 1.47 0.265 0.0223 1.15 1.854 0.9923 2079017 Maybridge3_006762 O=C(Oc1ccc(cc1)C2SCCS2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 D09 compound treatment 0.266 0.0239 1.18 0.256 0.0133 0.68 1.3174 0.9665 2079018 Maybridge3_006763 COc1ccc2[nH]c(cc2c1)C(=O)N(C)c3ccccc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 D10 compound treatment 0.253 0.0109 0.54 0.251 0.00829 0.43 0.6826 0.9934 2079019 Maybridge3_006764 Cc1cc(C)n2nc(SCC#N)nc2n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 D11 compound treatment 0.249 0.00694 0.34 0.245 0.00229 0.12 0.3249 0.8991 2079020 Maybridge3_006765 FC(F)(F)Oc1ccc(/C=C/C(=O)N2CCOCC2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 D12 compound treatment 0.244 0.00194 0.1 0.253 0.0103 0.53 0.442 0.8212 2079021 Maybridge3_006766 Cc1cc(COC(=O)Nc2ccc(Cl)cc2)no1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 D13 compound treatment 0.256 0.0139 0.69 0.251 0.00829 0.43 0.7871 0.9739 2079022 Maybridge3_006767 Cc1nnsc1C(=O)Nc2nn(C)c3cccc(F)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 D14 compound treatment 0.249 0.00694 0.34 0.248 0.00529 0.27 0.4341 0.9937 2079023 Maybridge3_006768 CCSCc1cc(OC(=O)N(C)C)nc(n1)c2ccc(cc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 D15 compound treatment 0.249 0.00694 0.34 0.251 0.00829 0.43 0.5433 0.9939 1210243 Maybridge3_006769 COc1cccc(c1)C(=O)Nc2n[nH]c3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 D16 compound treatment 0.271 0.0289 1.43 0.268 0.0253 1.3 1.9284 0.999 2079024 Maybridge3_006770 Cc1cc(c(C)cc1Cl)S(=O)(=O)Cc2ccc(N)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 D17 compound treatment 0.256 0.0139 0.69 0.263 0.0203 1.04 1.2239 0.9793 1633742 Maybridge3_006771 COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 D18 compound treatment 0.256 0.0139 0.69 0.261 0.0183 0.94 1.1511 0.9879 2079025 Maybridge3_006772 Clc1ccccc1OCc2nn[nH]n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 D19 compound treatment 0.253 0.0109 0.54 0.253 0.0103 0.53 0.7554 1.0 1028530 Maybridge3_006773 CSc1ncnc(SC)c1Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 D20 compound treatment 0.302 0.0599 2.95 0.288 0.0453 2.33 3.736 0.9932 1535085 Maybridge3_006774 Cc1sc(N)c(C(=O)c2ccc(Cl)cc2)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 D21 compound treatment 0.275 0.0329 1.62 0.277 0.0343 1.77 2.3953 0.9991 2079026 Maybridge3_006775 Clc1ccc(cc1)C(=O)CSc2nnc([nH]2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 D22 compound treatment 0.253 0.0109 0.54 0.252 0.00929 0.48 0.719 0.9982 2079027 Maybridge3_006776 Cc1ccc(cc1)c2csc3nnc(n23)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 D23 mock treatment 0.246 0.00394 0.19 0.252 0.00929 0.48 0.4753 0.9209 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 D24 mock treatment 0.231 -0.0111 -0.54 0.239 -0.00371 -0.19 -0.5204 -0.9012 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 E01 compound treatment 0.244 0.00194 0.1 0.241 -0.00171 -0.09 0.0052 0.0399 1325422 Maybridge3_006777 Fc1ccc(C(=O)C2CCN(CC2)C(=O)c3cccs3)c(F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 E02 compound treatment 0.25 0.00794 0.39 0.252 0.00929 0.48 0.6146 0.995 1741895 Maybridge3_006778 CC(C)(C)c1cc(n(n1)c2ccc(cc2)N3C(=O)COCC3=O)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 E03 compound treatment 0.252 0.00994 0.49 0.253 0.0103 0.53 0.7206 0.9992 1684489 Maybridge3_006779 N#Cc1ccccc1n2ccc3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 E04 compound treatment 0.283 0.0409 2.02 0.281 0.0383 1.97 2.8195 0.9999 2079028 Maybridge3_006780 CCOC(=O)c1c(C)n[nH]c1Nc2ccc(Br)cc2C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 E05 compound treatment 0.243 9.35E-4 0.05 0.246 0.00329 0.17 0.1524 0.8679 2079029 Maybridge3_006781 FC(F)(F)Oc1cc(Cl)ccc1NC(=O)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 E06 compound treatment 0.256 0.0139 0.69 0.249 0.00629 0.32 0.7143 0.9412 2079030 Maybridge3_006782 COC(=O)c1c(C)[nH]c(C)c1c2ccon2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 E07 compound treatment 0.256 0.0139 0.69 0.254 0.0113 0.58 0.8963 0.9966 1691284 Maybridge3_006783 CC1CN(CC(C)O1)S(=O)(=O)c2c(C)noc2C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 E08 compound treatment 0.284 0.0419 2.07 0.283 0.0403 2.07 2.9272 1.0 1545811 Maybridge3_006784 Cc1oc(cc1c2cc(NC(=O)c3ccccc3)n(C)n2)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 E09 compound treatment 0.277 0.0349 1.72 0.267 0.0243 1.25 2.1009 0.9877 1430578 Maybridge3_006785 COc1ccccc1N2CCN(CC2)S(=O)(=O)c3cc(C)c(F)c(C)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 E10 compound treatment 0.251 0.00894 0.44 0.246 0.00329 0.17 0.431 0.9139 1366750 Maybridge3_006786 CCOC(=O)c1cc(n(CCCN2CCOCC2)c1C)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 E11 compound treatment 0.248 0.00594 0.29 0.25 0.00729 0.38 0.4721 0.9924 2079031 Maybridge3_006787 CC(C)(C)SCC(=O)N1CCN(CC1)c2ncc(cc2Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 E12 compound treatment 0.263 0.0209 1.03 0.263 0.0203 1.04 1.4677 1.0 1039251 Maybridge3_006788 C(Oc1ccc2[nH]ccc2c1)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 E13 compound treatment 0.255 0.0129 0.64 0.253 0.0103 0.53 0.8251 0.9958 1266254 Maybridge3_006789 CC(=O)N1CCC(CC1)c2nc(no2)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 E14 compound treatment 0.263 0.0209 1.03 0.261 0.0183 0.94 1.3949 0.999 2079032 Maybridge3_006790 Cc1ccc(cc1)c2csc(CC#N)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 E15 compound treatment 0.256 0.0139 0.69 0.251 0.00829 0.43 0.7871 0.9739 1343217 Maybridge3_006791 Fc1cc(F)cc(CC(=O)NCc2ccco2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 E16 compound treatment 0.255 0.0129 0.64 0.252 0.00929 0.48 0.7887 0.99 1525654 Maybridge3_006792 Cc1onc(c1c2csc(CC#N)n2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 E17 compound treatment 0.264 0.0219 1.08 0.267 0.0243 1.25 1.6482 0.9973 1729544 Maybridge3_006793 COc1ccccc1N2CCN(Cc3nc(cs3)c4ccc(Br)cc4)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 E18 compound treatment 0.302 0.0599 2.95 0.298 0.0553 2.85 4.1001 0.9998 1608317 Maybridge3_006794 CC(C)(C)C(=O)OCc1nc(cs1)c2ccc(C#N)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 E19 compound treatment 0.24 -0.00206 -0.1 0.239 -0.00371 -0.19 -0.2069 -0.9565 2079033 Maybridge3_006795 CC(C)(C)c1cc(n(n1)c2cnc3ccccc3n2)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 E20 compound treatment 0.255 0.0129 0.64 0.26 0.0173 0.89 1.0799 0.9866 1389298 Maybridge3_006796 Cc1noc(C)c1c2nc(no2)c3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 E21 compound treatment 0.263 0.0209 1.03 0.26 0.0173 0.89 1.3585 0.9973 1433464 Maybridge3_006797 Fc1ccc(CS(=O)(=O)CCNC(=O)c2ccc(Cl)cc2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 E22 compound treatment 0.251 0.00894 0.44 0.253 0.0103 0.53 0.6858 0.9958 2079034 Maybridge3_006798 Fc1ccc(CS(=O)(=O)Cc2noc(n2)c3ccc(F)cc3Cl)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 E23 mock treatment 0.246 0.00394 0.19 0.248 0.00529 0.27 0.3296 0.9861 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 E24 mock treatment 0.242 -6.45E-5 0.0 0.244 0.00129 0.07 0.0447 0.6725 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 F01 compound treatment 0.246 0.00394 0.19 0.242 -7.1E-4 -0.04 0.1112 0.5639 1535986 Maybridge3_006799 CSCCn1c(C)c(cc1c2ccccc2)C(=O)N3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 F02 compound treatment 0.252 0.00994 0.49 0.251 0.00829 0.43 0.6478 0.9977 1509413 Maybridge3_006800 Nc1noc(Cc2c(Cl)cccc2Cl)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 F03 compound treatment 0.257 0.0149 0.74 0.257 0.0143 0.74 1.0404 1.0 1281491 Maybridge3_006801 CC(C)(C)S(=O)(=O)Cc1noc(n1)c2ccc(F)cc2Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 F04 compound treatment 0.252 0.00994 0.49 0.252 0.00929 0.48 0.6842 0.9999 2079035 Maybridge3_006802 CN(C)C(=O)Oc1nnc(SCc2ccccc2)n1c3cccc(Cl)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 F05 compound treatment 0.316 0.0739 3.64 0.301 0.0583 3.0 4.6969 0.9954 2079036 Maybridge3_006803 FC(F)(F)c1cc(no1)c2ccc(s2)S(=O)(=O)NCc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 F06 compound treatment 0.249 0.00694 0.34 0.254 0.0113 0.58 0.6525 0.9679 2079037 Maybridge3_006804 CSc1nnc(OC(=O)N(C)C)n1c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 F07 compound treatment 0.262 0.0199 0.98 0.258 0.0153 0.79 1.2509 0.994 1343530 Maybridge3_006805 CCOC(=O)c1c(C)n(c(C)c1S(=O)(=O)N)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 F08 compound treatment 0.268 0.0259 1.28 0.262 0.0193 0.99 1.6055 0.9923 2079038 Maybridge3_006806 Nc1n[nH]c(SCc2ccccc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 F09 compound treatment 0.28 0.0379 1.87 0.287 0.0443 2.28 2.9335 0.9951 1170751 Maybridge3_006807 COc1ccc2[nH]c(cc2c1)C(=O)Nc3ccc(F)cc3Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 F10 compound treatment 0.262 0.0199 0.98 0.263 0.0203 1.04 1.4329 0.9995 2079039 Maybridge3_006808 Nc1nnc(SCC(=O)c2ccc(Cl)cc2)[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 F11 compound treatment 0.25 0.00794 0.39 0.258 0.0153 0.79 0.833 0.9478 2079040 Maybridge3_006809 CCOC(=O)c1cc(C)n(c1C)c2ccc(cc2)c3csnn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 F12 compound treatment 0.254 0.0119 0.59 0.257 0.0143 0.74 0.9359 0.9938 2079041 Maybridge3_006810 N/C(=N\O)/Cc1cc(Cl)cc(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 F13 compound treatment 0.262 0.0199 0.98 0.259 0.0163 0.84 1.2873 0.9969 2079042 Maybridge3_006811 Cn1nc(NC(=O)/C=C/c2ccc(OC(F)(F)F)cc2)c3c(F)cccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 F14 compound treatment 0.249 0.00694 0.34 0.26 0.0173 0.89 0.871 0.9135 2079043 Maybridge3_006812 CSc1nnc(SC)n1NC(=N)c2cccc(c2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 F15 compound treatment 0.256 0.0139 0.69 0.259 0.0163 0.84 1.0783 0.9951 1448160 Maybridge3_006813 Cc1ccc(cc1)S(=O)(=O)Nc2ccc3[nH]ccc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 F16 compound treatment 0.262 0.0199 0.98 0.264 0.0213 1.1 1.4693 0.9985 2079044 Maybridge3_006814 CSc1ncc([nH]1)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 F17 compound treatment 0.266 0.0239 1.18 0.268 0.0253 1.3 1.7542 0.9988 2079045 Maybridge3_006815 COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCc2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 F18 compound treatment 0.265 0.0229 1.13 0.27 0.0273 1.4 1.7922 0.9942 2079046 Maybridge3_006816 Nc1ccc(CS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 F19 compound treatment 0.263 0.0209 1.03 0.259 0.0163 0.84 1.3221 0.9947 2079047 Maybridge3_006817 Brc1c(Oc2ccccc2)ncnc1Oc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 F20 compound treatment 0.255 0.0129 0.64 0.254 0.0113 0.58 0.8615 0.999 2079048 Maybridge3_006818 CSc1ncc(C)cc1C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 F21 compound treatment 0.255 0.0129 0.64 0.258 0.0153 0.79 1.0071 0.9945 2079049 Maybridge3_006819 FC(F)(F)c1nnc(SCC(=O)c2ccccc2)[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 F22 compound treatment 0.307 0.0649 3.2 0.292 0.0493 2.54 4.0558 0.9934 2079050 Maybridge3_006820 CC(C)(C)c1ccc(cc1)c2nnc(CS(=O)(=O)c3ccc(Cl)cc3)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 F23 mock treatment 0.253 0.0109 0.54 0.256 0.0133 0.68 0.8647 0.993 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 F24 mock treatment 0.249 0.00694 0.34 0.249 0.00629 0.32 0.4705 0.9996 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 G01 compound treatment 0.244 0.00194 0.1 0.247 0.00429 0.22 0.2236 0.9294 1213220 Maybridge3_006821 Cc1noc(C)c1C(=O)N2CCC(CC2)C(=O)c3ccc(F)cc3F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 G02 compound treatment 0.245 0.00294 0.14 0.244 0.00129 0.07 0.1492 0.9377 2079051 Maybridge3_006822 COC(=O)c1cc(/C=C(\C#N)/S(=O)(=O)C)cn1c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 G03 compound treatment 0.246 0.00394 0.19 0.249 0.00629 0.32 0.366 0.9699 2079052 Maybridge3_006823 N#Cc1ccccc1N2CCOCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 G04 compound treatment 0.254 0.0119 0.59 0.25 0.00729 0.38 0.6811 0.9765 1016395 Maybridge3_006824 CCOC(=O)c1cc(C)[nH]c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 G05 compound treatment 0.251 0.00894 0.44 0.252 0.00929 0.48 0.6494 0.9991 1578572 Maybridge3_006825 Cc1noc(C)c1C(=O)NCc2ccc3OCOc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 G06 compound treatment 0.249 0.00694 0.34 0.254 0.0113 0.58 0.6525 0.9679 1489870 Maybridge3_006826 Cc1nc(no1)c2ccc3OCCc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 G07 compound treatment 0.256 0.0139 0.69 0.255 0.0123 0.63 0.9327 0.9992 2079053 Maybridge3_006827 Nc1ccc(nc1)N2CCN(CC2)c3ccc(cn3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 G08 compound treatment 0.271 0.0289 1.43 0.266 0.0233 1.2 1.8556 0.9963 1173722 Maybridge3_006828 CCOC(=O)c1sc(nc1C)c2ccc3OCCc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 G09 compound treatment 0.303 0.0609 3.0 0.301 0.0583 3.0 4.2441 1.0 2079054 Maybridge3_006829 FC(F)(F)c1ccc(nc1)N2CCN(CC2)c3ccc(C#N)cn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 G10 compound treatment 0.253 0.0109 0.54 0.258 0.0153 0.79 0.9375 0.9829 1448264 Maybridge3_006830 CCOC(=O)c1cc(c2ccccc2)n(CCCN3CCOCC3)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 G11 compound treatment 0.248 0.00594 0.29 0.248 0.00529 0.27 0.3993 0.9994 1663316 Maybridge3_006831 COc1ccc(cc1)N2CC(CC2=O)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 G12 compound treatment 0.263 0.0209 1.03 0.264 0.0213 1.1 1.5041 0.9995 2079055 Maybridge3_006832 CCOC(=O)Cc1csc(n1)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 G13 compound treatment 0.255 0.0129 0.64 0.255 0.0123 0.63 0.8979 1.0 1183208 Maybridge3_006833 Cc1noc(C)c1c2nc(CSc3ccccc3N)no2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 G14 compound treatment 0.269 0.0269 1.33 0.255 0.0123 0.63 1.3855 0.9426 2079056 Maybridge3_006834 N#CCc1nc(cs1)c2ccc(C#N)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 G15 compound treatment 0.254 0.0119 0.59 0.252 0.00929 0.48 0.7539 0.9948 1549456 Maybridge3_006835 Cc1ccc(c(NS(=O)(=O)c2ccc(s2)c3ccon3)c1)n4cccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 G16 compound treatment 0.266 0.0239 1.18 0.265 0.0223 1.15 1.645 0.9999 1242887 Maybridge3_006836 C1COc2ccc(cc2OC1)c3csc(n3)c4ccno4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 G17 compound treatment 0.302 0.0599 2.95 0.291 0.0483 2.49 3.8453 0.9963 2079057 Maybridge3_006837 FC(F)(F)c1ccc(cc1)c2nnc(o2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 G18 compound treatment 0.262 0.0199 0.98 0.256 0.0133 0.68 1.1781 0.9844 1519247 Maybridge3_006838 Cc1c(cc(c2ccccc2)n1CCCN3CCOCC3)C(=O)Nc4ccccc4C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 G19 compound treatment 0.252 0.00994 0.49 0.244 0.00129 0.07 0.393 0.7958 2079058 Maybridge3_006839 FC(F)(F)c1ccc(nc1)N2CCN(CC#N)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 G20 compound treatment 0.251 0.00894 0.44 0.258 0.0153 0.79 0.8678 0.9623 2079059 Maybridge3_006840 Cc1cccc(c1)c2noc(n2)c3ccc(OC(F)(F)F)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 G21 compound treatment 0.281 0.0389 1.92 0.274 0.0313 1.61 2.495 0.9962 2079060 Maybridge3_006841 Fc1ccc(CS(=O)(=O)CCNC(=O)c2cccc(OC(F)(F)F)c2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 G22 compound treatment 0.25 0.00794 0.39 0.252 0.00929 0.48 0.6146 0.995 1446631 Maybridge3_006842 Fc1ccc(CS(=O)(=O)Cc2noc(n2)C3CCC3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 G23 mock treatment 0.25 0.00794 0.39 0.251 0.00829 0.43 0.5782 0.999 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 G24 mock treatment 0.241 -0.00106 -0.05 0.235 -0.00771 -0.4 -0.3177 -0.7936 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 H01 compound treatment 0.246 0.00394 0.19 0.248 0.00529 0.27 0.3296 0.9861 2079061 Maybridge3_006843 FC(F)(F)Oc1ccc(cc1)c2noc(n2)c3ccno3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 H02 compound treatment 0.247 0.00494 0.24 0.248 0.00529 0.27 0.3645 0.9984 2079062 Maybridge3_006844 CC(Oc1ccc(Cl)cc1Cl)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 H03 compound treatment 0.261 0.0189 0.93 0.265 0.0223 1.15 1.4709 0.9947 2079063 Maybridge3_006845 CC(C)(C)S(=O)(=O)Cc1noc(n1)c2ccc(OC(F)(F)F)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 H04 compound treatment 0.257 0.0149 0.74 0.257 0.0143 0.74 1.0404 1.0 1171338 Maybridge3_006846 CC(C)(C)C(=O)CC1(O)C(=O)Nc2ccc(Br)cc21 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 H05 compound treatment 0.263 0.0209 1.03 0.258 0.0153 0.79 1.2857 0.9911 2079064 Maybridge3_006847 OC1CCN(CC1)S(=O)(=O)c2ccc(s2)c3cc(on3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 H06 compound treatment 0.245 0.00294 0.14 0.253 0.0103 0.53 0.4768 0.8683 2079065 Maybridge3_006848 CN(C)C(=O)Oc1nnc(SCC=C)n1c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 H07 compound treatment 0.254 0.0119 0.59 0.262 0.0193 0.99 1.1179 0.9687 1277898 Maybridge3_006849 COC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 H08 compound treatment 0.26 0.0179 0.88 0.259 0.0163 0.84 1.2176 0.9997 2079066 Maybridge3_006850 CC(C)Sc1nnc(O)n1c2cccc(c2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 H09 compound treatment 0.285 0.0429 2.11 0.283 0.0403 2.07 2.962 1.0 1667207 Maybridge3_006851 COc1ccc2[nH]c(cc2c1)C(=O)Nc3cccc(C)n3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 H10 compound treatment 0.266 0.0239 1.18 0.266 0.0233 1.2 1.6814 1.0 2079067 Maybridge3_006852 CSc1cc(nc(O)c1C#N)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 H11 compound treatment 0.284 0.0419 2.07 0.278 0.0353 1.82 2.7451 0.998 2079068 Maybridge3_006853 Cc1cc(C)c([nH]1)c2ccn(n2)C(=O)c3snnc3C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 H12 compound treatment 0.249 0.00694 0.34 0.257 0.0143 0.74 0.7617 0.9391 2079069 Maybridge3_006854 CCOC(=O)c1cc(C)nn1C(=O)c2ccccc2Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 H13 compound treatment 0.304 0.0619 3.05 0.293 0.0503 2.59 3.9877 0.9967 1632666 Maybridge3_006855 CSc1nsc(SC)c1C(=O)Nc2nn(C)c3cccc(F)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 H14 compound treatment 0.251 0.00894 0.44 0.256 0.0133 0.68 0.795 0.9772 2079070 Maybridge3_006856 CCN(CC)C(=O)Sc1nc2cc(Cl)ccc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 H15 compound treatment 0.257 0.0149 0.74 0.262 0.0193 0.99 1.2224 0.9891 2079071 Maybridge3_006857 OC1(CC(=NO1)c2ccc3ccccc3c2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 H16 compound treatment 0.259 0.0169 0.83 0.261 0.0183 0.94 1.2556 0.9982 2079072 Maybridge3_006858 Clc1ccc(cc1)c2cnc(SCC=C)[nH]2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 H17 compound treatment 0.263 0.0209 1.03 0.264 0.0213 1.1 1.5041 0.9995 1651899 Maybridge3_006859 COC(=O)c1cc(oc1C)S(=O)(=O)N2CCCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 H18 compound treatment 0.254 0.0119 0.59 0.253 0.0103 0.53 0.7903 0.9987 2079073 Maybridge3_006860 CCOC(=O)c1nc(COc2ccccc2Cl)no1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 H19 compound treatment 0.255 0.0129 0.64 0.247 0.00429 0.22 0.6067 0.8997 2079074 Maybridge3_006861 CCOC(=O)c1cc(C)nc(Sc2ccc(C)cc2)c1C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 H20 compound treatment 0.257 0.0149 0.74 0.25 0.00729 0.38 0.7855 0.9512 1184010 Maybridge3_006862 Clc1ccc(cc1)c2csc(CS(=O)(=O)c3ccc(Cl)cc3)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 H21 compound treatment 0.256 0.0139 0.69 0.257 0.0143 0.74 1.0055 0.9994 2079075 Maybridge3_006863 FC(F)(F)c1n[nH]c(SCc2ccc(Cl)cc2Cl)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 H22 compound treatment 0.253 0.0109 0.54 0.254 0.0113 0.58 0.7918 0.9993 1370956 Maybridge3_006864 CCOC(=O)c1sc(COc2cccc(Cl)c2)nc1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 H23 mock treatment 0.252 0.00994 0.49 0.258 0.0153 0.79 0.9026 0.9738 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 H24 mock treatment 0.232 -0.0101 -0.5 0.231 -0.0117 -0.6 -0.7768 -0.9953 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 I01 compound treatment 0.24 -0.00206 -0.1 0.243 2.9E-4 0.01 -0.0613 -0.5968 2079076 Maybridge3_006865 Nc1oc(nc1C#N)c2ccccc2OC(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 I02 compound treatment 0.25 0.00794 0.39 0.254 0.0113 0.58 0.6874 0.9814 1413699 Maybridge3_006866 OC(=O)C1CN(CCc2cccs2)C(=O)C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 I03 compound treatment 0.256 0.0139 0.69 0.257 0.0143 0.74 1.0055 0.9994 2079077 Maybridge3_006867 NC(=O)C1=CCc2ccccc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 I04 compound treatment 0.254 0.0119 0.59 0.253 0.0103 0.53 0.7903 0.9987 2079078 Maybridge3_006868 COC(=O)c1c(C)[nH]c(C)c1/C=N/O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 I05 compound treatment 0.256 0.0139 0.69 0.257 0.0143 0.74 1.0055 0.9994 1690944 Maybridge3_006869 Cc1noc(C)c1C(=O)Oc2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 I06 compound treatment 0.248 0.00594 0.29 0.256 0.0133 0.68 0.6905 0.9281 1155559 Maybridge3_006870 O=C(NCc1ccc2OCCc2c1)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 I07 compound treatment 0.252 0.00994 0.49 0.25 0.00729 0.38 0.6114 0.9914 2079079 Maybridge3_006871 FC(F)(F)c1cccnc1N2CCN(CC2)C(=O)CSc3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 I08 compound treatment 0.271 0.0289 1.43 0.268 0.0253 1.3 1.9284 0.999 1196200 Maybridge3_006872 CCOC(=O)c1csc(n1)c2ccc3OCCc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 I09 compound treatment 0.257 0.0149 0.74 0.254 0.0113 0.58 0.9312 0.9932 1703195 Maybridge3_006873 COc1ccccc1N2CCN(CC2)C(=O)c3cc(C)on3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 I10 compound treatment 0.26 0.0179 0.88 0.261 0.0183 0.94 1.2905 0.9995 2079080 Maybridge3_006874 CCOC(=O)c1cc(n(CCSC)c1C)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 I11 compound treatment 0.253 0.0109 0.54 0.26 0.0173 0.89 1.0103 0.971 1344469 Maybridge3_006875 OC(=O)C1CN(C(=O)C1)c2ccccc2O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 I12 compound treatment 0.252 0.00994 0.49 0.259 0.0163 0.84 0.939 0.9671 1283925 Maybridge3_006876 Cc1c(cc(c2ccccc2)n1CCNC(=O)OC(C)(C)C)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 I13 compound treatment 0.256 0.0139 0.69 0.265 0.0223 1.15 1.2968 0.9698 1149058 Maybridge3_006877 Clc1ccc(cc1)c2noc(n2)C3CCNCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 I14 compound treatment 0.265 0.0229 1.13 0.264 0.0213 1.1 1.5738 0.9999 2079081 Maybridge3_006878 FC(F)(F)c1ccc(cc1)c2csc(CC#N)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 I15 compound treatment 0.251 0.00894 0.44 0.252 0.00929 0.48 0.6494 0.9991 1484410 Maybridge3_006879 COc1ccccc1N2CCN(CC#N)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 I16 compound treatment 0.253 0.0109 0.54 0.263 0.0203 1.04 1.1195 0.9525 1274435 Maybridge3_006880 Cc1ccc(c2csc(n2)c3ccno3)c(C)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 I17 compound treatment 0.264 0.0219 1.08 0.261 0.0183 0.94 1.4298 0.9977 1363588 Maybridge3_006881 CC(=O)N1CCC(CC1)c2nc(no2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 I18 compound treatment 0.269 0.0269 1.33 0.276 0.0333 1.71 2.1499 0.992 2079082 Maybridge3_006882 Fc1ccc(cc1)S(=O)(=O)Cc2noc(n2)c3ccc(OC(F)(F)F)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 I19 compound treatment 0.239 -0.00306 -0.15 0.252 0.00929 0.48 0.2315 0.4615 2079083 Maybridge3_006883 Cc1cccc(c1)N2CCN(CC#N)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 I20 compound treatment 0.257 0.0149 0.74 0.257 0.0143 0.74 1.0404 1.0 1143234 Maybridge3_006884 Cc1c(cc(c2ccccc2)n1CCCN3CCOCC3)C(=O)NCc4ccco4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 I21 compound treatment 0.255 0.0129 0.64 0.253 0.0103 0.53 0.8251 0.9958 1588492 Maybridge3_006885 COc1ccc(cc1)C(=O)NCCS(=O)(=O)Cc2ccc(F)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 I22 compound treatment 0.256 0.0139 0.69 0.257 0.0143 0.74 1.0055 0.9994 2079084 Maybridge3_006886 CCn1nc(C)c(Br)c1c2nc(no2)c3ccc(cn3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 I23 mock treatment 0.248 0.00594 0.29 0.255 0.0123 0.63 0.6541 0.9385 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 I24 mock treatment 0.253 0.0109 0.54 0.243 2.9E-4 0.01 0.3914 0.7264 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 J01 compound treatment 0.261 0.0189 0.93 0.233 -0.00971 -0.5 0.306 0.2892 2079085 Maybridge3_006887 Cc1cccc(c1)c2noc(n2)c3ccno3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 J02 compound treatment 0.24 -0.00206 -0.1 0.249 0.00629 0.32 0.1571 0.4628 2079086 Maybridge3_006888 NC(=N)c1cc(Cl)cc(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 J03 compound treatment 0.251 0.00894 0.44 0.249 0.00629 0.32 0.5402 0.9886 2079087 Maybridge3_006889 Nc1cc(nn1c2ccc(F)cc2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 J04 compound treatment 0.248 0.00594 0.29 0.245 0.00229 0.12 0.2901 0.9203 1137704 Maybridge3_006890 COCc1cc(OC(=O)N(C)C)nc(Cc2c(Cl)cccc2Cl)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 J05 compound treatment 0.254 0.0119 0.59 0.251 0.00829 0.43 0.7175 0.9876 2079088 Maybridge3_006891 CN1CCN(CC1)S(=O)(=O)c2ccc(s2)c3cc(on3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 J06 compound treatment 0.244 0.00194 0.1 0.254 0.0113 0.58 0.4784 0.8122 2079089 Maybridge3_006892 CN(C)C(=O)Oc1nnc(SCC=C)n1c2cccc(c2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 J07 compound treatment 0.254 0.0119 0.59 0.25 0.00729 0.38 0.6811 0.9765 1562863 Maybridge3_006893 CCOC(=O)c1c(C)oc(C)c1S(=O)(=O)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 J08 compound treatment 0.257 0.0149 0.74 0.257 0.0143 0.74 1.0404 1.0 2079090 Maybridge3_006894 CC(C)Sc1nnc(OC(=O)N(C)C)n1c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 J09 compound treatment 0.254 0.0119 0.59 0.251 0.00829 0.43 0.7175 0.9876 1607956 Maybridge3_006895 COCC(C)NC(=O)c1cc2cc(OC)ccc2[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 J10 compound treatment 0.266 0.0239 1.18 0.278 0.0353 1.82 2.1183 0.9781 2079091 Maybridge3_006896 CSc1cc(nc(O)c1C#N)c2ccco2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 J11 compound treatment 0.253 0.0109 0.54 0.257 0.0143 0.74 0.9011 0.9883 2079092 Maybridge3_006897 Cc1cn(nc1c2cccs2)C(=O)c3snnc3C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 J12 compound treatment 0.242 -6.45E-5 0.0 0.249 0.00629 0.32 0.2267 0.7001 2079093 Maybridge3_006898 CCOC(=O)c1cc(C)nn1S(=O)(=O)c2ccc(Cl)c(Cl)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 J13 compound treatment 0.262 0.0199 0.98 0.268 0.0253 1.3 1.6149 0.9903 2079094 Maybridge3_006899 Cc1c(cnn1c2ccccc2)c3ccnn3C(=O)c4ccco4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 J14 compound treatment 0.256 0.0139 0.69 0.257 0.0143 0.74 1.0055 0.9994 2079095 Maybridge3_006900 CSc1nnc([nH]1)c2ccc(cc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 J15 compound treatment 0.249 0.00694 0.34 0.246 0.00329 0.17 0.3613 0.9476 1579339 Maybridge3_006901 COC(=O)c1c(C)oc(C)c1S(=O)(=O)N2CCCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 J16 compound treatment 0.252 0.00994 0.49 0.254 0.0113 0.58 0.757 0.9963 2079096 Maybridge3_006902 O=c1c(coc2ccccc12)C3SCCS3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 J17 compound treatment 0.26 0.0179 0.88 0.256 0.0133 0.68 1.1084 0.992 2079097 Maybridge3_006903 COC(=O)c1cc(oc1C)S(=O)(=O)NCc2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 J18 compound treatment 0.256 0.0139 0.69 0.258 0.0153 0.79 1.0419 0.9977 2079098 Maybridge3_006904 COCc1cc(O)nc(COc2ccc(Cl)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 J19 compound treatment 0.243 9.35E-4 0.05 0.247 0.00429 0.22 0.1888 0.8366 2079099 Maybridge3_006905 CCOC(=O)c1c(Cl)c(nc(Sc2ccccn2)c1C#N)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 J20 compound treatment 0.251 0.00894 0.44 0.247 0.00429 0.22 0.4674 0.9492 1153057 Maybridge3_006906 CCOC(=O)Cc1csc(CS(=O)(=O)c2ccc(Cl)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 J21 compound treatment 0.251 0.00894 0.44 0.253 0.0103 0.53 0.6858 0.9958 2079100 Maybridge3_006907 Cc1ccc(CSc2nnc([nH]2)C(F)(F)F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 J22 compound treatment 0.249 0.00694 0.34 0.247 0.00429 0.22 0.3977 0.9777 2079101 Maybridge3_006908 FC(F)(F)c1ccc(CSc2ccccn2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 J23 mock treatment 0.247 0.00494 0.24 0.252 0.00929 0.48 0.5101 0.9507 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 J24 mock treatment 0.251 0.00894 0.44 0.244 0.00129 0.07 0.3582 0.8047 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 K01 compound treatment 0.247 0.00494 0.24 0.253 0.0103 0.53 0.5465 0.9376 2079102 Maybridge3_006909 Nc1oc(nc1C#N)c2ccc(cc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 K02 compound treatment 0.251 0.00894 0.44 0.252 0.00929 0.48 0.6494 0.9991 2079103 Maybridge3_006910 Cc1nnsc1C(=O)n2nc(cc2C(C)(C)C)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 K03 compound treatment 0.253 0.0109 0.54 0.251 0.00829 0.43 0.6826 0.9934 2079104 Maybridge3_006911 CC(C)N(C(C)C)S(=O)(=O)c1c(C)noc1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 K04 compound treatment 0.256 0.0139 0.69 0.258 0.0153 0.79 1.0419 0.9977 2079105 Maybridge3_006912 Cc1oc(cc1C(=O)O)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 K05 compound treatment 0.25 0.00794 0.39 0.258 0.0153 0.79 0.833 0.9478 2079106 Maybridge3_006913 CC(C)N(C(C)C)C(=O)c1c(C)noc1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 K06 compound treatment 0.249 0.00694 0.34 0.258 0.0153 0.79 0.7981 0.9302 1706731 Maybridge3_006914 O=C(NCc1ccc2OCCc2c1)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 K07 compound treatment 0.247 0.00494 0.24 0.252 0.00929 0.48 0.5101 0.9507 2079107 Maybridge3_006915 OC(=O)/C=C/C(=O)N1CCN(CC1)c2ncc(cc2Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 K08 compound treatment 0.341 0.0989 4.87 0.292 0.0493 2.54 5.2399 0.9538 1160994 Maybridge3_006916 O=C(Nc1ccccc1)c2cnc(s2)c3ccc4OCCc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 K09 compound treatment 0.317 0.0749 3.69 0.324 0.0813 4.18 5.5689 0.998 2079108 Maybridge3_006917 CS(=O)(=O)/C(=C/c1cccn1c2ccc(cc2)C(F)(F)F)/C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 K10 compound treatment 0.28 0.0379 1.87 0.275 0.0323 1.66 2.4966 0.9983 1209810 Maybridge3_006918 CSCCn1c(C)c(cc1C(C)(C)C)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 K11 compound treatment 0.249 0.00694 0.34 0.254 0.0113 0.58 0.6525 0.9679 2079109 Maybridge3_006919 OC(=O)C1CN(C(=O)C1)c2ccc(OC(F)(F)F)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 K12 compound treatment 0.268 0.0259 1.28 0.258 0.0153 0.79 1.4599 0.9729 2079110 Maybridge3_006920 Cc1nc(cs1)c2ccc(C#N)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 K13 compound treatment 0.248 0.00594 0.29 0.253 0.0103 0.53 0.5813 0.9607 2079111 Maybridge3_006921 Nc1ccccc1SCc2noc(n2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 K14 compound treatment 0.252 0.00994 0.49 0.244 0.00129 0.07 0.393 0.7958 1519350 Maybridge3_006922 CC(C)(C)S(=O)(=O)Cc1nc(cs1)c2ccc(F)c(F)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 K15 compound treatment 0.253 0.0109 0.54 0.248 0.00529 0.27 0.5734 0.9501 2079112 Maybridge3_006923 Fc1cc(F)cc(CC(=O)n2nccc2c3cccs3)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 K16 compound treatment 0.273 0.0309 1.52 0.269 0.0263 1.35 2.0344 0.9983 2079113 Maybridge3_006924 Cc1c(sc2ccccc12)c3csc(n3)c4ccno4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 K17 compound treatment 0.328 0.0859 4.23 0.314 0.0713 3.67 5.588 0.9975 2079114 Maybridge3_006925 O=S(=O)(/C(=C\c1ccccc1N2CCN(Cc3ccccc3)CC2)/C#N)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 K18 compound treatment 0.265 0.0229 1.13 0.266 0.0233 1.2 1.6466 0.9996 2079115 Maybridge3_006926 Cc1noc(C)c1c2nc(no2)c3ccc(cn3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 K19 compound treatment 0.245 0.00294 0.14 0.249 0.00629 0.32 0.3312 0.934 1626038 Maybridge3_006927 CN(C)c1ccc(cc1)C2CC(=O)C=C(C2)NCc3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 K20 compound treatment 0.25 0.00794 0.39 0.251 0.00829 0.43 0.5782 0.999 1293364 Maybridge3_006928 CCCc1ccc(cc1)c2nc(CS(=O)(=O)c3ccsc3)no2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 K21 compound treatment 0.255 0.0129 0.64 0.252 0.00929 0.48 0.7887 0.99 2079116 Maybridge3_006929 CS(=O)(=O)/C(=C/c1ccc(OCc2cc(F)cc(F)c2)cc1)/C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 K22 compound treatment 0.251 0.00894 0.44 0.249 0.00629 0.32 0.5402 0.9886 1511680 Maybridge3_006930 COc1ccc(cc1)c2cc(N)n(n2)c3ccc(Cl)c(Cl)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 K23 mock treatment 0.245 0.00294 0.14 0.249 0.00629 0.32 0.3312 0.934 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 K24 mock treatment 0.245 0.00294 0.14 0.249 0.00629 0.32 0.3312 0.934 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 L01 compound treatment 0.246 0.00394 0.19 0.256 0.0133 0.68 0.6209 0.8731 1481479 Maybridge3_006931 COc1ccc(cc1OC)c2nc(no2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 L02 compound treatment 0.242 -6.45E-5 0.0 0.242 -7.1E-4 -0.04 -0.0281 -0.7657 2079117 Maybridge3_006932 CSc1nnc([nH]1)c2cc(cc(c2)C(F)(F)F)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 L03 compound treatment 0.255 0.0129 0.64 0.25 0.00729 0.38 0.7159 0.9682 2079118 Maybridge3_006933 Nc1cc(nn1c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c3ccco3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 L04 compound treatment 0.277 0.0349 1.72 0.279 0.0363 1.87 2.5378 0.9992 2079119 Maybridge3_006934 CC(C)(C)C(=O)/C=C/1\C(=O)Nc2ccc(Br)cc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 L05 compound treatment 0.246 0.00394 0.19 0.255 0.0123 0.63 0.5845 0.8832 2079120 Maybridge3_006935 FC(F)(F)c1cc(no1)c2ccc(s2)S(=O)(=O)N3CCN(Cc4ccccc4)CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 L06 compound treatment 0.263 0.0209 1.03 0.262 0.0193 0.99 1.4313 0.9998 2079121 Maybridge3_006936 CCOC(=O)/C=C(/Nc1ccccc1SC)\c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 L07 compound treatment 0.301 0.0589 2.9 0.288 0.0453 2.33 3.7012 0.9941 1195723 Maybridge3_006937 Cc1oc(cc1C(=O)Nc2ccccc2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 L08 compound treatment 0.258 0.0159 0.78 0.252 0.00929 0.48 0.8932 0.9718 2079122 Maybridge3_006938 CN(C)C(=O)Oc1ccc(cc1)C2SCCS2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 L09 compound treatment 0.252 0.00994 0.49 0.257 0.0143 0.74 0.8662 0.9804 1343741 Maybridge3_006939 COc1ccc2[nH]c(cc2c1)C(=O)Nc3ncc(C)cc3Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 L10 compound treatment 0.253 0.0109 0.54 0.247 0.00429 0.22 0.537 0.9225 2079123 Maybridge3_006940 FC(F)(F)c1cc(c2cccs2)n3ncnc3n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 L11 compound treatment 0.253 0.0109 0.54 0.249 0.00629 0.32 0.6098 0.9704 1356495 Maybridge3_006941 Clc1ccc(OCc2nc(CSc3ccccn3)no2)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 L12 compound treatment 0.255 0.0129 0.64 0.251 0.00829 0.43 0.7523 0.981 2079124 Maybridge3_006942 Cc1cc(CSCc2ccc(Cl)cc2)no1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 L13 compound treatment 0.252 0.00994 0.49 0.262 0.0193 0.99 1.0482 0.9468 2079125 Maybridge3_006943 Cn1nc(NC(=O)C(C)(C)C)c2c(F)cccc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 L14 compound treatment 0.247 0.00494 0.24 0.254 0.0113 0.58 0.5829 0.9252 2079126 Maybridge3_006944 CC(C)Sc1nnc(O)n1C(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 L15 compound treatment 0.257 0.0149 0.74 0.257 0.0143 0.74 1.0404 1.0 1590850 Maybridge3_006945 CS(=O)(=O)Nc1ccccc1c2nnc(Cc3cc(F)cc(F)c3)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 L16 compound treatment 0.243 9.35E-4 0.05 0.257 0.0143 0.74 0.5528 0.7499 1070425 Maybridge3_006946 CSc1nnc(C)c(O)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 L17 compound treatment 0.266 0.0239 1.18 0.263 0.0203 1.04 1.5722 0.9982 2079127 Maybridge3_006947 CCOC(=O)c1cnn(c1C(C)C)c2cc(Cl)cc(Cl)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 L18 compound treatment 0.255 0.0129 0.64 0.247 0.00429 0.22 0.6067 0.8997 2079128 Maybridge3_006948 Clc1ccccc1OCc2nnc(o2)c3ccccc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 L19 compound treatment 0.249 0.00694 0.34 0.256 0.0133 0.68 0.7253 0.9485 2079129 Maybridge3_006949 CN/C(=N\O)/c1c(Cl)cccc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 L20 compound treatment 0.244 0.00194 0.1 0.247 0.00429 0.22 0.2236 0.9294 2079130 Maybridge3_006950 FC(F)(F)c1ccc(cc1)c2nnc(o2)C3CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 L21 compound treatment 0.254 0.0119 0.59 0.253 0.0103 0.53 0.7903 0.9987 2079131 Maybridge3_006951 COc1c(Br)cc(cc1Br)c2noc(CSC)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 L22 compound treatment 0.255 0.0129 0.64 0.247 0.00429 0.22 0.6067 0.8997 2079132 Maybridge3_006952 Cc1ccc(cc1)S(=O)(=O)Cc2ccc(cc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 L23 mock treatment 0.249 0.00694 0.34 0.257 0.0143 0.74 0.7617 0.9391 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 L24 mock treatment 0.24 -0.00206 -0.1 0.236 -0.00671 -0.35 -0.3161 -0.878 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 M01 compound treatment 0.24 -0.00206 -0.1 0.22 -0.0227 -1.17 -0.8986 -0.7657 1224935 Maybridge3_006953 Fc1ccc(C(=O)C2CCN(CC2)S(=O)(=O)c3ccc(F)cc3F)c(F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 M02 compound treatment 0.254 0.0119 0.59 0.26 0.0173 0.89 1.0451 0.9797 2079133 Maybridge3_006954 Cc1cc(C)c([nH]1)c2cc[nH]n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 M03 compound treatment 0.248 0.00594 0.29 0.25 0.00729 0.38 0.4721 0.9924 1365276 Maybridge3_006955 COc1ccc(NC(=O)c2ccc(s2)C(C)(C)C)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 M04 compound treatment 0.27 0.0279 1.38 0.262 0.0193 0.99 1.6751 0.9872 2079134 Maybridge3_006956 CCOC(=O)c1cc(oc1C)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 M05 compound treatment 0.241 -0.00106 -0.05 0.254 0.0113 0.58 0.3739 0.6407 2079135 Maybridge3_006957 Cc1noc(C)c1C(=O)N2CCSCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 M06 compound treatment 0.247 0.00494 0.24 0.256 0.0133 0.68 0.6557 0.903 1565599 Maybridge3_006958 O=S(=O)(NCc1ccc2OCCc2c1)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 M07 compound treatment 0.259 0.0169 0.83 0.258 0.0153 0.79 1.1464 0.9996 2079136 Maybridge3_006959 Cc1noc(C)c1c2nnc(o2)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 M08 compound treatment 0.294 0.0519 2.56 0.298 0.0553 2.85 3.8215 0.9986 1453612 Maybridge3_006960 O=C(Nc1ccccc1)c2csc(n2)c3ccc4OCCc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 M09 compound treatment 0.243 9.35E-4 0.05 0.248 0.00529 0.27 0.2252 0.8151 2079137 Maybridge3_006961 CC(C)(C)SCCC(=O)N1CCN(CC1)c2ncc(cc2Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 M10 compound treatment 0.25 0.00794 0.39 0.248 0.00529 0.27 0.4689 0.9844 1706379 Maybridge3_006962 Cc1c(cc(c2ccccc2)n1c3ccccc3)C(=O)N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 M11 compound treatment 0.252 0.00994 0.49 0.246 0.00329 0.17 0.4658 0.8995 1254405 Maybridge3_006963 OC(=O)C1CN(C(=O)C1)c2ccc(cc2)c3csnn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 M12 compound treatment 0.252 0.00994 0.49 0.259 0.0163 0.84 0.939 0.9671 2079138 Maybridge3_006964 Fc1cccc(c1)c2csc(n2)c3ccc(cc3)c4csnn4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 M13 compound treatment 0.28 0.0379 1.87 0.299 0.0563 2.9 3.3703 0.9775 1359109 Maybridge3_006965 O=C(c1ccccc1)c2cccc3CCNc32 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 M14 compound treatment 0.252 0.00994 0.49 0.256 0.0133 0.68 0.8298 0.9865 1584516 Maybridge3_006966 CC(C)(C)S(=O)(=O)Cc1nc(cs1)c2ccc3OCCCOc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 M15 compound treatment 0.396 0.154 7.58 0.371 0.128 6.6 10.0312 0.9976 2079139 Maybridge3_006967 COC(=O)c1cc(/C=C/2\C(=O)Nc3ccccc23)cn1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 M16 compound treatment 0.247 0.00494 0.24 0.242 -7.1E-4 -0.04 0.1461 0.5942 1167043 Maybridge3_006968 N#Cc1ccc(cc1)c2csc(n2)c3ccno3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 M17 compound treatment 0.248 0.00594 0.29 0.253 0.0103 0.53 0.5813 0.9607 2079140 Maybridge3_006969 Cn1nc(cc1C(C)(C)C)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 M18 compound treatment 0.241 -0.00106 -0.05 0.251 0.00829 0.43 0.2647 0.6156 1598801 Maybridge3_006970 C1CC(C1)c2nc(no2)c3ccccn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 M19 compound treatment 0.248 0.00594 0.29 0.249 0.00629 0.32 0.4357 0.9987 1448175 Maybridge3_006971 CN(C)c1ccc(cc1)C2CC(=O)C=C(C2)NCCc3ccccn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 M20 compound treatment 0.238 -0.00406 -0.2 0.254 0.0113 0.58 0.2694 0.4383 1674610 Maybridge3_006972 COc1ccc(Br)c(c1)c2nc(CS(=O)(=O)c3ccsc3)no2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 M21 compound treatment 0.245 0.00294 0.14 0.248 0.00529 0.27 0.2948 0.9561 1706871 Maybridge3_006973 COc1ccc(cc1)c2csc(CN3CCN(CC3)c4ccccc4OC)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 M22 compound treatment 0.251 0.00894 0.44 0.249 0.00629 0.32 0.5402 0.9886 2079141 Maybridge3_006974 COc1ccc(cc1OC)c2nc(no2)c3cccc(C)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 M23 mock treatment 0.241 -0.00106 -0.05 0.242 -7.1E-4 -0.04 -0.0629 -0.9844 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 M24 mock treatment 0.226 -0.0161 -0.79 0.23 -0.0127 -0.65 -1.0221 -0.9955 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 N01 compound treatment 0.226 -0.0161 -0.79 0.205 -0.0377 -1.94 -1.9322 -0.9217 2079142 Maybridge3_006975 COc1ccc(Br)c(c1)c2nc(no2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 N02 compound treatment 0.239 -0.00306 -0.15 0.248 0.00529 0.27 0.0859 0.2757 2079143 Maybridge3_006976 Clc1cc(Cl)cc(CN2CCSCC2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 N03 compound treatment 0.245 0.00294 0.14 0.243 2.9E-4 0.01 0.1128 0.7761 1654415 Maybridge3_006977 Fc1ccc(cc1)n2nc(cc2NC(=O)C3CCC3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 N04 compound treatment 0.256 0.0139 0.69 0.256 0.0133 0.68 0.9691 1.0 2079144 Maybridge3_006978 Fc1ccccc1c2nnc(SCC(=O)c3ccccc3)[nH]2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 N05 compound treatment 0.241 -0.00106 -0.05 0.247 0.00429 0.22 0.1191 0.5247 1146074 Maybridge3_006979 CSc1[nH]nc(c1C#N)c2cc(oc2C)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 N06 compound treatment 0.242 -6.45E-5 0.0 0.258 0.0153 0.79 0.5544 0.7042 1531789 Maybridge3_006980 CC(C)(C)C(=O)Nc1ccc(Cl)cc1c2noc(n2)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 N07 compound treatment 0.241 -0.00106 -0.05 0.256 0.0133 0.68 0.4467 0.651 2079145 Maybridge3_006981 COC(=O)C1SCCN1C(=O)c2cc(oc2C)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 N08 compound treatment 0.248 0.00594 0.29 0.257 0.0143 0.74 0.7269 0.9182 2079146 Maybridge3_006982 CN/C(=C(\C(=O)OC)/C(=O)c1ccc(Cl)cc1)/C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 N09 compound treatment 0.237 -0.00506 -0.25 0.247 0.00429 0.22 -0.0202 -0.0606 1478084 Maybridge3_006983 Cc1oc(cc1C(=O)Nc2cc(C)nc(C)n2)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 N10 compound treatment 0.244 0.00194 0.1 0.249 0.00629 0.32 0.2964 0.878 2079147 Maybridge3_006984 CN/C(=C(\C(=O)OC)/C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)/C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 N11 compound treatment 0.255 0.0129 0.64 0.25 0.00729 0.38 0.7159 0.9682 2079148 Maybridge3_006985 Cc1cc(C(=O)n2cc(C)c(n2)c3cccs3)c(C)o1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 N12 compound treatment 0.254 0.0119 0.59 0.259 0.0163 0.84 1.0087 0.9849 2079149 Maybridge3_006986 Cc1cc(CSc2cc(C)c(Cl)cc2Cl)no1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 N13 compound treatment 0.255 0.0129 0.64 0.251 0.00829 0.43 0.7523 0.981 2079150 Maybridge3_006987 Cc1c(cnn1c2ccccc2)c3ccnn3C(=O)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 N14 compound treatment 0.244 0.00194 0.1 0.249 0.00629 0.32 0.2964 0.878 2079151 Maybridge3_006988 CN/C(=C(/C(=O)OC)\C(=O)c1ccc(cc1)C(F)(F)F)/C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 N15 compound treatment 0.239 -0.00306 -0.15 0.232 -0.0107 -0.55 -0.4966 -0.8687 2079152 Maybridge3_006989 COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 N16 compound treatment 0.24 -0.00206 -0.1 0.252 0.00929 0.48 0.2663 0.5446 2079153 Maybridge3_006990 CCOC(=O)CSc1nnc(O)n1c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 N17 compound treatment 0.249 0.00694 0.34 0.25 0.00729 0.38 0.5069 0.9989 2079154 Maybridge3_006991 COC(=O)c1ccc(n1C)S(=O)(=O)N(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 N18 compound treatment 0.244 0.00194 0.1 0.236 -0.00671 -0.35 -0.1768 -0.4935 2079155 Maybridge3_006992 FC(F)(F)c1ccc(cc1)C(=O)NC(=S)SCc2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 N19 compound treatment 0.234 -0.00806 -0.4 0.233 -0.00971 -0.5 -0.6343 -0.9935 2079156 Maybridge3_006993 CSc1nnc([nH]1)c2ccc(cc2)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 N20 compound treatment 0.243 9.35E-4 0.05 0.242 -7.1E-4 -0.04 0.0067 0.1147 2079157 Maybridge3_006994 Clc1ccc(cc1)c2nnc(o2)C3CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 N21 compound treatment 0.255 0.0129 0.64 0.256 0.0133 0.68 0.9343 0.9994 2079158 Maybridge3_006995 O/N=C(\C#N)/c1ccccc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 N22 compound treatment 0.239 -0.00306 -0.15 0.247 0.00429 0.22 0.0495 0.1849 2079159 Maybridge3_006996 CCCS(=O)(=O)Cc1nnc(o1)c2cc(Cl)cc(Cl)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 N23 mock treatment 0.245 0.00294 0.14 0.249 0.00629 0.32 0.3312 0.934 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 N24 mock treatment 0.247 0.00494 0.24 0.239 -0.00371 -0.19 0.0368 0.1192 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 O01 compound treatment 0.222 -0.0201 -0.99 0.229 -0.0137 -0.71 -1.1979 -0.9864 2079160 Maybridge3_006997 Clc1ccc(c2cc[nH]n2)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 O02 compound treatment 0.252 0.00994 0.49 0.249 0.00629 0.32 0.575 0.9799 1050829 Maybridge3_006998 Clc1cccc(c1)c2nnc(o2)c3cccc(Cl)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 O03 compound treatment 0.245 0.00294 0.14 0.242 -7.1E-4 -0.04 0.0764 0.5123 2079161 Maybridge3_006999 Cc1noc(C)c1S(=O)(=O)NCc2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 O04 compound treatment 0.24 -0.00206 -0.1 0.243 2.9E-4 0.01 -0.0613 -0.5968 1704347 Maybridge3_007000 Cc1oc(cc1C(=O)N)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 O05 compound treatment 0.245 0.00294 0.14 0.251 0.00829 0.43 0.404 0.8966 2079162 Maybridge3_007001 COC(=O)c1ccc(CSc2ncccn2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 O06 compound treatment 0.248 0.00594 0.29 0.26 0.0173 0.89 0.8361 0.8924 1398279 Maybridge3_007002 O=S(=O)(NCc1ccc2OCCc2c1)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 O07 compound treatment 0.245 0.00294 0.14 0.248 0.00529 0.27 0.2948 0.9561 2079163 Maybridge3_007003 Cc1noc(C)c1c2nnc(o2)c3ccc(cc3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 O08 compound treatment 0.271 0.0289 1.43 0.267 0.0243 1.25 1.892 0.9979 1498956 Maybridge3_007004 COC(=O)c1sc(c(C#N)c1c2cc(oc2C)C(C)(C)C)S(=O)(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 O09 compound treatment 0.245 0.00294 0.14 0.247 0.00429 0.22 0.2584 0.9789 2079164 Maybridge3_007005 OC(=O)CCCC(=O)N1CCc2c([nH]c3ccccc23)C1C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 O10 compound treatment 0.271 0.0289 1.43 0.267 0.0243 1.25 1.892 0.9979 1737935 Maybridge3_007006 CCOC(=O)c1cc(c2ccccc2)n(c1C)c3ccc(N)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 O11 compound treatment 0.239 -0.00306 -0.15 0.248 0.00529 0.27 0.0859 0.2757 1322897 Maybridge3_007007 CSc1ccccc1N2CC(CC2=O)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 O12 compound treatment 0.245 0.00294 0.14 0.243 2.9E-4 0.01 0.1128 0.7761 1180310 Maybridge3_007008 CSCCn1c(C)c(cc1c2ccccc2)C(=O)NCc3ccco3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 O13 compound treatment 0.238 -0.00406 -0.2 0.249 0.00629 0.32 0.0874 0.2296 1635498 Maybridge3_007009 Cc1cc(C)c(C(=O)C2CCN(CC2)C(=O)c3cccs3)c(C)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 O14 compound treatment 0.243 9.35E-4 0.05 0.247 0.00429 0.22 0.1888 0.8366 1454200 Maybridge3_007010 Cc1ccc(c2csc(CS(=O)(=O)C(C)(C)C)n2)c(C)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 O15 compound treatment 0.262 0.0199 0.98 0.272 0.0293 1.51 1.7605 0.9784 2079165 Maybridge3_007011 FC(F)(F)Oc1ccc(/C=C/C(=O)NCc2ccco2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 O16 compound treatment 0.25 0.00794 0.39 0.252 0.00929 0.48 0.6146 0.995 2079166 Maybridge3_007012 FC(F)(F)c1ccc(cc1)c2csc(n2)c3ccno3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 O17 compound treatment 0.242 -6.45E-5 0.0 0.246 0.00329 0.17 0.1175 0.6937 1550633 Maybridge3_007013 Clc1cccc(c1)N2CCN(CC#N)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 O18 compound treatment 0.252 0.00994 0.49 0.252 0.00929 0.48 0.6842 0.9999 2079167 Maybridge3_007014 CCCc1ccc(cc1)c2nc(no2)c3ccc(cn3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 O19 compound treatment 0.262 0.0199 0.98 0.262 0.0193 0.99 1.3965 1.0 2079168 Maybridge3_007015 Brc1ccc(cc1)c2csc(Nc3ccncc3)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 O20 compound treatment 0.24 -0.00206 -0.1 0.244 0.00129 0.07 -0.0249 -0.2053 2079169 Maybridge3_007016 CCCc1ccc(cc1)c2nc(no2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 O21 compound treatment 0.246 0.00394 0.19 0.25 0.00729 0.38 0.4024 0.9527 1357939 Maybridge3_007017 OC(=O)CCc1c([nH]c2cc(Cl)cc(Cl)c12)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 O22 compound treatment 0.247 0.00494 0.24 0.244 0.00129 0.07 0.2189 0.8685 2079170 Maybridge3_007018 Cc1cccc(c1)c2noc(n2)c3ccc(F)cc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 O23 mock treatment 0.248 0.00594 0.29 0.246 0.00329 0.17 0.3265 0.9663 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 O24 mock treatment 0.254 0.0119 0.59 0.233 -0.00971 -0.5 0.0622 0.0806 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 P01 compound treatment 0.22 -0.0221 -1.09 0.2 -0.0427 -2.2 -2.3232 -0.9472 2079171 Maybridge3_007019 CCn1nc(C)c(Br)c1c2nc(no2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 P02 compound treatment 0.228 -0.0141 -0.69 0.236 -0.00671 -0.35 -0.7341 -0.9483 2079172 Maybridge3_007020 CSc1nc(nn1C(=O)N(C)C)c2cc(Cl)cc(Cl)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 P03 compound treatment 0.24 -0.00206 -0.1 0.245 0.00229 0.12 0.0115 0.0737 1488865 Maybridge3_007021 Nc1cc(nn1c2ccc(cc2)S(=O)(=O)N)c3cccc(Cl)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 P04 compound treatment 0.245 0.00294 0.14 0.244 0.00129 0.07 0.1492 0.9377 1098512 Maybridge3_007022 CCOC(=O)Cc1csc2nc(nn12)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 P05 compound treatment 0.243 9.35E-4 0.05 0.246 0.00329 0.17 0.1524 0.8679 1380119 Maybridge3_007023 Cc1oc(cc1C(=O)N2CCCC2)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 P06 compound treatment 0.242 -6.45E-5 0.0 0.244 0.00129 0.07 0.0447 0.6725 2079173 Maybridge3_007024 CC(C)(C)c1ccc(OC/C(=N/O)/N)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 P07 compound treatment 0.273 0.0309 1.52 0.273 0.0303 1.56 2.18 0.9999 1273209 Maybridge3_007025 COc1ccc2[nH]c(cc2c1)C(=O)Nc3ccccc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 P08 compound treatment 0.256 0.0139 0.69 0.262 0.0193 0.99 1.1875 0.9837 2079174 Maybridge3_007026 CN/C(=C(\C(=O)OC)/C(=O)c1cccs1)/C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 P09 compound treatment 0.237 -0.00506 -0.25 0.236 -0.00671 -0.35 -0.4206 -0.9872 1399294 Maybridge3_007027 COc1ccc(NC(=O)c2cc(oc2C)C(C)(C)C)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 P10 compound treatment 0.245 0.00294 0.14 0.225 -0.0177 -0.91 -0.5424 -0.5876 2079175 Maybridge3_007028 CCN(CC)C(=O)Oc1nnc(SC(C)C)n1c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 P11 compound treatment 0.301 0.0589 2.9 0.281 0.0383 1.97 3.4464 0.9822 1684700 Maybridge3_007029 Cc1ccc(cc1)C(=O)Nc2ccc3[nH]cc(C#N)c3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 P12 compound treatment 0.239 -0.00306 -0.15 0.23 -0.0127 -0.65 -0.5694 -0.848 2079176 Maybridge3_007030 NC(=N)c1ccc(cc1)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 P13 compound treatment 0.235 -0.00706 -0.35 0.226 -0.0167 -0.86 -0.8543 -0.9207 2079177 Maybridge3_007031 FC(F)(F)c1cc(n[nH]1)c2cccc3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 P14 compound treatment 0.255 0.0129 0.64 0.25 0.00729 0.38 0.7159 0.9682 2079178 Maybridge3_007032 N/C(=N\O)/c1ccc(OCc2ccccc2F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 P15 compound treatment 0.245 0.00294 0.14 0.241 -0.00171 -0.09 0.04 0.2363 2079179 Maybridge3_007033 COC(=O)c1c(C)oc(C)c1S(=O)(=O)N(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 P16 compound treatment 0.249 0.00694 0.34 0.253 0.0103 0.53 0.6161 0.9775 2079180 Maybridge3_007034 CN/C(=C(\C(=O)OC)/C(=O)c1snnc1C)/C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 P17 compound treatment 0.252 0.00994 0.49 0.247 0.00429 0.22 0.5022 0.9354 1583722 Maybridge3_007035 COC(=O)c1ccc(n1C)S(=O)(=O)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 P18 compound treatment 0.241 -0.00106 -0.05 0.246 0.00329 0.17 0.0827 0.4664 2079181 Maybridge3_007036 CCOC(=O)Cn1nnc(CSc2ccc(Cl)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 P19 compound treatment 0.246 0.00394 0.19 0.244 0.00129 0.07 0.184 0.8982 2079182 Maybridge3_007037 C=CCSc1nnc([nH]1)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 P20 compound treatment 0.247 0.00494 0.24 0.235 -0.00771 -0.4 -0.1088 -0.2337 2079183 Maybridge3_007038 CCOC(=O)c1sc(CS(=O)(=O)c2ccc(Cl)cc2)nc1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 P21 compound treatment 0.239 -0.00306 -0.15 0.237 -0.00571 -0.29 -0.3146 -0.952 2079184 Maybridge3_007039 NC(=N)Cc1c(Cl)cccc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 P22 compound treatment 0.221 -0.0211 -1.04 0.218 -0.0247 -1.27 -1.6331 -0.9949 1157573 Maybridge3_007040 CCCS(=O)(=O)Cc1nnc(o1)c2ccc(cc2)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 P23 mock treatment 0.227 -0.0151 -0.74 0.216 -0.0267 -1.38 -1.4969 -0.9581 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1450 P24 mock treatment 0.24 -0.00206 -0.1 0.237 -0.00571 -0.29 -0.2797 -0.8994 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 A01 compound treatment 0.188 -0.059 -2.9 0.182 -0.0592 -3.05 -4.2074 -0.9997 1423117 Maybridge3_007041 CCCS(=O)(=O)Cc1nnc(o1)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 A02 compound treatment 0.212 -0.035 -1.72 0.203 -0.0382 -1.96 -2.6071 -0.9978 2079185 Maybridge3_007042 CCOC(=O)c1csc(n1)c2csc(C)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 A03 compound treatment 0.215 -0.032 -1.57 0.202 -0.0392 -2.02 -2.5391 -0.9925 1246303 Maybridge3_007043 CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 A04 compound treatment 0.236 -0.011 -0.54 0.234 -0.00717 -0.37 -0.6428 -0.9827 2079186 Maybridge3_007044 Clc1ccc(cc1)c2nc(no2)c3[nH]ncc3Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 A05 compound treatment 0.216 -0.031 -1.53 0.209 -0.0322 -1.66 -2.2494 -0.9992 2079187 Maybridge3_007045 CCOC(=O)c1csc(COc2ccc(cc2)C3SCCS3)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 A06 compound treatment 0.238 -0.00897 -0.44 0.213 -0.0282 -1.45 -1.3376 -0.8824 2079188 Maybridge3_007046 FC(F)(F)c1cnc(Oc2ccc(C#N)cc2)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 A07 compound treatment 0.218 -0.029 -1.43 0.218 -0.0232 -1.19 -1.8521 -0.996 2079189 Maybridge3_007047 Cc1nc(CSc2nnc(O)n2c3ccccc3)cs1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 A08 compound treatment 0.235 -0.012 -0.59 0.221 -0.0202 -1.04 -1.1509 -0.964 1158898 Maybridge3_007048 O=c1oc2ccccc2n1Cc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 A09 compound treatment 0.234 -0.013 -0.64 0.233 -0.00817 -0.42 -0.7489 -0.9794 1193869 Maybridge3_007049 CSc1nnc(SCc2nc(cs2)c3ccc(Cl)cc3)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 A10 compound treatment 0.237 -0.00997 -0.49 0.232 -0.00917 -0.47 -0.6808 -0.9998 2079190 Maybridge3_007050 FC(F)(F)c1ccc(Oc2ccc(CC#N)cc2)nc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 A11 compound treatment 0.244 -0.00297 -0.15 0.242 8.33E-4 0.04 -0.073 -0.4793 2079191 Maybridge3_007051 COC(=O)c1c(C)noc1c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 A12 compound treatment 0.244 -0.00297 -0.15 0.246 0.00483 0.25 0.0726 0.2517 2079192 Maybridge3_007052 FC(F)(F)c1nnc(Sc2ncccc2C(F)(F)F)[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 A13 compound treatment 0.256 0.00903 0.44 0.281 0.0398 2.05 1.7646 0.841 2079193 Maybridge3_007053 CC(C)c1ccc(NC(=O)CSc2nnc(c3csc(C)n3)n2C)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 A14 compound treatment 0.234 -0.013 -0.64 0.238 -0.00317 -0.16 -0.5669 -0.86 2079194 Maybridge3_007054 CCc1nnc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 A15 compound treatment 0.237 -0.00997 -0.49 0.239 -0.00217 -0.11 -0.426 -0.8462 2079195 Maybridge3_007055 CCOC(=O)CSc1nc2cc(ccc2[nH]1)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 A16 compound treatment 0.234 -0.013 -0.64 0.235 -0.00617 -0.32 -0.6761 -0.9479 2079196 Maybridge3_007056 Oc1cc(nc(n1)c2ccccc2OC(F)(F)F)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 A17 compound treatment 0.227 -0.02 -0.98 0.231 -0.0102 -0.52 -1.0655 -0.9564 2079197 Maybridge3_007057 CCOC(=O)c1sc(nc1OC)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 A18 compound treatment 0.224 -0.023 -1.13 0.222 -0.0192 -0.99 -1.4976 -0.9977 2079198 Maybridge3_007058 Fc1ccc(cc1)C(=O)n2nccc2c3csc(n3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 A19 compound treatment 0.234 -0.013 -0.64 0.233 -0.00817 -0.42 -0.7489 -0.9794 2079199 Maybridge3_007059 Cc1nc(COc2ccccc2Cl)sc1c3ccnc(N)n3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 A20 compound treatment 0.215 -0.032 -1.57 0.208 -0.0332 -1.71 -2.3206 -0.9992 2079200 Maybridge3_007060 Cc1cc(no1)c2nnnn2c3ccc(F)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 A21 compound treatment 0.214 -0.033 -1.62 0.212 -0.0292 -1.5 -2.2099 -0.9992 1421657 Maybridge3_007061 CCn1nc(C)cc1c2nnc(SCC(=O)c3ccc(C)cc3)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 A22 compound treatment 0.227 -0.02 -0.98 0.218 -0.0232 -1.19 -1.5387 -0.9954 2079201 Maybridge3_007062 Clc1cc(Cl)cc(OC(=O)c2ccno2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 A23 mock treatment 0.229 -0.018 -0.88 0.214 -0.0272 -1.4 -1.6147 -0.9756 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 A24 mock treatment 0.172 -0.075 -3.69 0.17 -0.0712 -3.66 -5.2015 -1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 B01 compound treatment 0.246 -9.67E-4 -0.05 0.216 -0.0252 -1.3 -0.9498 -0.7326 2079202 Maybridge3_007063 FC(F)(F)c1cccnc1SCC(=O)Nc2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 B02 compound treatment 0.245 -0.00197 -0.1 0.248 0.00683 0.35 0.1803 0.494 2079203 Maybridge3_007064 CCOC(=O)c1cnc(nc1Oc2ccccc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 B03 compound treatment 0.26 0.013 0.64 0.251 0.00983 0.51 0.8119 0.9931 2079204 Maybridge3_007065 Cc1n[nH]c(C)c1Sc2nnc(n2C)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 B04 compound treatment 0.255 0.00803 0.4 0.252 0.0108 0.56 0.6741 0.9859 2079205 Maybridge3_007066 Clc1ccc(cc1)S(=O)(=O)n2nccc2c3cc(no3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 B05 compound treatment 0.258 0.011 0.54 0.254 0.0128 0.66 0.8514 0.9953 1378139 Maybridge3_007067 Cc1ccc(Oc2c(C)nc(C)nc2O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 B06 compound treatment 0.254 0.00703 0.35 0.247 0.00583 0.3 0.4573 0.9975 2079206 Maybridge3_007068 Cc1onc(c1c2ccnc(N)n2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 B07 compound treatment 0.257 0.01 0.49 0.253 0.0118 0.61 0.7802 0.9946 2079207 Maybridge3_007069 CCn1nc(cc1C(=O)N(C)C)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 B08 compound treatment 0.267 0.02 0.99 0.263 0.0218 1.12 1.4925 0.9979 1480615 Maybridge3_007070 Cc1nn(C(=O)c2ccccc2)c(C)c1Oc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 B09 compound treatment 0.266 0.019 0.94 0.26 0.0188 0.97 1.3485 0.9999 2079208 Maybridge3_007071 O/N=C/c1ccnc(SCc2ccccc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 B10 compound treatment 0.254 0.00703 0.35 0.253 0.0118 0.61 0.6757 0.9642 2079209 Maybridge3_007072 Cc1noc2ncnc(SCC(=O)c3ccc(Cl)cc3)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 B11 compound treatment 0.278 0.031 1.53 0.27 0.0288 1.48 2.1304 0.9999 1456200 Maybridge3_007073 COC(OC)c1ccc2c(N)c(sc2n1)C(=O)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 B12 compound treatment 0.278 0.031 1.53 0.289 0.0478 2.46 2.822 0.9737 2079210 Maybridge3_007074 Cc1noc(N)c1c2nc(cs2)c3cccc(c3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 B13 compound treatment 0.263 0.016 0.79 0.253 0.0118 0.61 0.9892 0.9918 2079211 Maybridge3_007075 Cc1nn(c(C)c1Sc2ncccn2)S(=O)(=O)c3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 B14 compound treatment 0.26 0.013 0.64 0.251 0.00983 0.51 0.8119 0.9931 2079212 Maybridge3_007076 COC(=O)c1cc(=O)n2c(nnc2s1)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 B15 compound treatment 0.262 0.015 0.74 0.254 0.0128 0.66 0.9907 0.9984 2079213 Maybridge3_007077 CSc1nc(/C=N/O)ccc1C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 B16 compound treatment 0.263 0.016 0.79 0.261 0.0198 1.02 1.2804 0.9919 2079214 Maybridge3_007078 Cc1nc(COc2ccccc2Cl)nc(O)c1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 B17 compound treatment 0.265 0.018 0.89 0.265 0.0238 1.23 1.4956 0.9874 1409070 Maybridge3_007079 COCc1cc(OC)nc(n1)c2csc(C)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 B18 compound treatment 0.261 0.014 0.69 0.256 0.0148 0.76 1.0287 0.9988 2079215 Maybridge3_007080 FC(F)(F)c1ccc(nc1)c2nnc(o2)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 B19 compound treatment 0.251 0.00403 0.2 0.253 0.0118 0.61 0.5712 0.8915 1262929 Maybridge3_007081 CCOC(=O)c1cc(on1)c2cc[nH]n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 B20 compound treatment 0.253 0.00603 0.3 0.253 0.0118 0.61 0.6409 0.9455 2079216 Maybridge3_007082 Cc1n[nH]c(C)c1Sc2nnnn2c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 B21 compound treatment 0.256 0.00903 0.44 0.257 0.0158 0.82 0.891 0.9594 2079217 Maybridge3_007083 CCOC(=O)c1cnc(nc1Nc2ccccc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 B22 compound treatment 0.254 0.00703 0.35 0.249 0.00783 0.4 0.5301 0.9971 2079218 Maybridge3_007084 Cc1ccc(cc1)c2nc(no2)c3ccc(OCC(F)(F)F)nc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 B23 mock treatment 0.256 0.00903 0.44 0.248 0.00683 0.35 0.5634 0.9932 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 B24 mock treatment 0.221 -0.026 -1.28 0.225 -0.0162 -0.83 -1.4928 -0.9783 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 C01 compound treatment 0.219 -0.028 -1.38 0.206 -0.0352 -1.81 -2.2541 -0.9909 2079219 Maybridge3_007085 CCOC(=O)c1sc(SCC(=O)c2ccc(Cl)cc2)nc1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 C02 compound treatment 0.241 -0.00597 -0.29 0.234 -0.00717 -0.37 -0.4687 -0.9936 2079220 Maybridge3_007086 Cc1nc(sc1c2nnc(o2)C3CC3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 C03 compound treatment 0.246 -9.67E-4 -0.05 0.249 0.00783 0.4 0.2515 0.6193 2079221 Maybridge3_007087 Cc1c(C)n(Cc2cccs2)c(c1C#N)n3cccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 C04 compound treatment 0.247 3.33E-5 0.0 0.243 0.00183 0.09 0.0679 0.7193 2079222 Maybridge3_007088 N/C(=N\O)/c1ccc(OC(F)(F)F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 C05 compound treatment 0.247 3.33E-5 0.0 0.241 -1.67E-4 -0.01 -0.0049 -0.5616 2079223 Maybridge3_007089 Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)sc1C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 C06 compound treatment 0.245 -0.00197 -0.1 0.242 8.33E-4 0.04 -0.0382 -0.3602 2079224 Maybridge3_007090 N/C(=N\O)/c1ccc(Oc2ccc(cn2)C(F)(F)F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 C07 compound treatment 0.246 -9.67E-4 -0.05 0.239 -0.00217 -0.11 -0.1125 -0.9279 1682623 Maybridge3_007091 Cc1nc(CSc2nnc(O)n2Cc3ccccc3)cs1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 C08 compound treatment 0.304 0.057 2.81 0.303 0.0618 3.18 4.2372 0.9981 2079225 Maybridge3_007092 Cc1nc(sc1c2nnnn2c3ccc(Cl)cc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 C09 compound treatment 0.247 3.33E-5 0.0 0.242 8.33E-4 0.04 0.0315 0.7336 1135678 Maybridge3_007093 CC(C)(C)c1csc(CS(=O)(=O)c2ccccn2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 C10 compound treatment 0.27 0.023 1.13 0.267 0.0258 1.33 1.7426 0.9969 2079226 Maybridge3_007094 FC(F)(F)c1cccnc1Oc2ccc(cc2)C3=NCCS3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 C11 compound treatment 0.247 3.33E-5 0.0 0.246 0.00483 0.25 0.1771 0.7118 2079227 Maybridge3_007095 CSc1nnc(c2csc(C)n2)n1c3cccc(F)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 C12 compound treatment 0.252 0.00503 0.25 0.246 0.00483 0.25 0.3512 1.0 1361790 Maybridge3_007096 Cc1cc(NC(=O)c2ccno2)no1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 C13 compound treatment 0.249 0.00203 0.1 0.252 0.0108 0.56 0.4652 0.821 2079228 Maybridge3_007097 Cc1nc(cs1)c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 C14 compound treatment 0.276 0.029 1.43 0.252 0.0108 0.56 1.4055 0.9157 2079229 Maybridge3_007098 Cc1cc(no1)C(=O)Oc2cc(C)c(Cl)c(C)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 C15 compound treatment 0.238 -0.00897 -0.44 0.237 -0.00417 -0.21 -0.464 -0.945 2079230 Maybridge3_007099 CCn1nc(C)cc1c2nnc(SC)n2c3cccc(c3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 C16 compound treatment 0.25 0.00303 0.15 0.251 0.00983 0.51 0.4636 0.8783 2079231 Maybridge3_007100 CCOC(=O)c1noc(C)c1c2csc(COc3ccc(Cl)cc3)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 C17 compound treatment 0.255 0.00803 0.4 0.255 0.0138 0.71 0.7833 0.9615 1236652 Maybridge3_007101 CCn1c(SCC(=O)O)nc2cc(Cl)c(Cl)cc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 C18 compound treatment 0.26 0.013 0.64 0.256 0.0148 0.76 0.9939 0.9963 2079232 Maybridge3_007102 Fc1ccc(c(F)c1)S(=O)(=O)n2nccc2c3csc(n3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 C19 compound treatment 0.248 0.00103 0.05 0.247 0.00583 0.3 0.2483 0.8153 2079233 Maybridge3_007103 OC(=O)CC1SC(=NC1=O)c2cccc(c2)n3cccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 C20 compound treatment 0.254 0.00703 0.35 0.259 0.0178 0.92 0.8941 0.9112 2079234 Maybridge3_007104 Cc1cc(no1)c2nnnn2c3ccc(cc3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 C21 compound treatment 0.241 -0.00597 -0.29 0.245 0.00383 0.2 -0.0683 -0.1928 2079235 Maybridge3_007105 CCn1nc(C)cc1c2nnc(o2)c3ccc(cc3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 C22 compound treatment 0.247 3.33E-5 0.0 0.245 0.00383 0.2 0.1407 0.713 2079236 Maybridge3_007106 CC(C)(C)c1cc(no1)C(=O)/C=C\2/NC(=O)CS2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 C23 mock treatment 0.236 -0.011 -0.54 0.241 -1.67E-4 -0.01 -0.388 -0.7182 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 C24 mock treatment 0.223 -0.024 -1.18 0.215 -0.0262 -1.35 -1.7872 -0.9978 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 D01 compound treatment 0.243 -0.00397 -0.2 0.221 -0.0202 -1.04 -0.8723 -0.8257 2079237 Maybridge3_007107 FC(F)(F)c1cccnc1SCC(=O)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 D02 compound treatment 0.25 0.00303 0.15 0.246 0.00483 0.25 0.2816 0.9702 2079238 Maybridge3_007108 CC(=O)n1nccc1c2c(C)nc3ccccn23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 D03 compound treatment 0.256 0.00903 0.44 0.257 0.0158 0.82 0.891 0.9594 2079239 Maybridge3_007109 Cn1c(SCc2cc(=O)[nH]c(n2)C(C)(C)C)nnc1C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 D04 compound treatment 0.253 0.00603 0.3 0.256 0.0148 0.76 0.7501 0.9154 2079240 Maybridge3_007110 Clc1cccc(NC(=O)n2nccc2c3cc(no3)c4ccccc4)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 D05 compound treatment 0.254 0.00703 0.35 0.256 0.0148 0.76 0.7849 0.9361 2079241 Maybridge3_007111 Cc1nc(C)c(Oc2cccc(c2)C(F)(F)F)c(O)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 D06 compound treatment 0.261 0.014 0.69 0.267 0.0258 1.33 1.4291 0.9535 2079242 Maybridge3_007112 Cc1onc(c1c2ccnc(n2)c3ccc(Cl)cc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 D07 compound treatment 0.258 0.011 0.54 0.255 0.0138 0.71 0.8878 0.9911 2079243 Maybridge3_007113 CCn1nc(cc1C(=O)NC(C)C)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 D08 compound treatment 0.255 0.00803 0.4 0.259 0.0178 0.92 0.929 0.9292 2079244 Maybridge3_007114 Cc1nn(C(=O)Nc2ccccc2)c(C)c1Oc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 D09 compound treatment 0.305 0.058 2.86 0.302 0.0608 3.13 4.2356 0.999 2079245 Maybridge3_007115 Cc1ccc(NC(=O)c2cc(on2)c3cccs3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 D10 compound treatment 0.245 -0.00197 -0.1 0.25 0.00883 0.45 0.2531 0.5443 2079246 Maybridge3_007116 Cc1noc2ncnc(SCc3ccc(C)cc3)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 D11 compound treatment 0.274 0.027 1.33 0.261 0.0198 1.02 1.6635 0.9914 1241745 Maybridge3_007117 COC(OC)c1ccc2c(N)c(sc2n1)C(=O)c3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 D12 compound treatment 0.254 0.00703 0.35 0.258 0.0168 0.87 0.8577 0.9191 1119305 Maybridge3_007118 CCOC(=O)c1sc2nc(nc(C)c2c1C)c3ccccc3OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 D13 compound treatment 0.305 0.058 2.86 0.3 0.0588 3.03 4.1628 0.9996 2079247 Maybridge3_007119 COC(=O)c1ccc(O)c(CSc2ccc(Cl)cc2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 D14 compound treatment 0.251 0.00403 0.2 0.255 0.0138 0.71 0.644 0.8711 2079248 Maybridge3_007120 NC(=N)COc1ccccc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 D15 compound treatment 0.261 0.014 0.69 0.259 0.0178 0.92 1.1379 0.9902 2079249 Maybridge3_007121 CC(=O)Nc1nc(C)c(Oc2cccc(c2)C(F)(F)F)c(O)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 D16 compound treatment 0.267 0.02 0.99 0.266 0.0248 1.28 1.6017 0.9918 2079250 Maybridge3_007122 CCOC(=O)c1cnc(COc2ccccc2Cl)nc1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 D17 compound treatment 0.263 0.016 0.79 0.267 0.0258 1.33 1.4988 0.969 2079251 Maybridge3_007123 C/C(=N\O)/c1csc(n1)c2ccno2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 D18 compound treatment 0.29 0.043 2.12 0.285 0.0438 2.26 3.0944 0.9995 2079252 Maybridge3_007124 FC(F)(F)c1ccncc1c2nc(cs2)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 D19 compound treatment 0.255 0.00803 0.4 0.25 0.00883 0.45 0.6013 0.9976 1654323 Maybridge3_007125 Cc1nc2ccccn2c1c3ccn[nH]3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 D20 compound treatment 0.294 0.047 2.32 0.285 0.0438 2.26 3.2337 0.9999 2079253 Maybridge3_007126 CSC1=C(C#N)C(O)(NC(=N1)C(F)(F)F)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 D21 compound treatment 0.254 0.00703 0.35 0.258 0.0168 0.87 0.8577 0.9191 2079254 Maybridge3_007127 Cc1nc(nc(O)c1C)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 D22 compound treatment 0.251 0.00403 0.2 0.249 0.00783 0.4 0.4256 0.9468 1166138 Maybridge3_007128 Nc1nc(COc2ccccc2Cl)ncc1S(=O)(=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 D23 mock treatment 0.248 0.00103 0.05 0.246 0.00483 0.25 0.2119 0.8345 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 D24 mock treatment 0.243 -0.00397 -0.2 0.224 -0.0172 -0.88 -0.7631 -0.8431 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 E01 compound treatment 0.235 -0.012 -0.59 0.221 -0.0202 -1.04 -1.1509 -0.964 1457391 Maybridge3_007129 CCn1nc(C)c(NC(=O)c2ccc(Cl)cc2)c1C(=O)OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 E02 compound treatment 0.244 -0.00297 -0.15 0.247 0.00583 0.3 0.109 0.3265 2079255 Maybridge3_007130 FC(F)(F)c1ccc(SCC(=O)Nc2ccccc2)nc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 E03 compound treatment 0.294 0.047 2.32 0.291 0.0498 2.57 3.4521 0.9987 2079256 Maybridge3_007131 Cc1c(C)n(CCCn2cccn2)c(N)c1C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 E04 compound treatment 0.268 0.021 1.04 0.265 0.0238 1.23 1.6001 0.9965 2079257 Maybridge3_007132 CSC(=CC(=O)c1sc(nc1C)c2cccs2)SC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 E05 compound treatment 0.255 0.00803 0.4 0.261 0.0198 1.02 1.0018 0.9148 2079258 Maybridge3_007133 CCOC(=O)Cc1csc(COc2ccc(cc2)C3SCCS3)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 E06 compound treatment 0.262 0.015 0.74 0.257 0.0158 0.82 1.0999 0.9988 1710811 Maybridge3_007134 Cc1c(C(=O)Oc2cc(Cl)cc(Cl)c2)n(C)oc1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 E07 compound treatment 0.251 0.00403 0.2 0.252 0.0108 0.56 0.5348 0.9034 2079259 Maybridge3_007135 Cc1nc(CSc2nnc([nH]2)C(F)(F)F)cs1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 E08 compound treatment 0.275 0.028 1.38 0.269 0.0278 1.43 1.9895 0.9998 2079260 Maybridge3_007136 Cc1cc(NC(=O)c2ccc(Cl)cc2)no1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 E09 compound treatment 0.261 0.014 0.69 0.258 0.0168 0.87 1.1015 0.9937 2079261 Maybridge3_007137 Cc1c(C)n(Cc2ccccc2Cl)c(N)c1S(=O)(=O)c3ccccn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 E10 compound treatment 0.261 0.014 0.69 0.26 0.0188 0.97 1.1743 0.9862 2079262 Maybridge3_007138 Cc1cc(C(=O)Oc2ccc(C)cc2)n(n1)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 E11 compound treatment 0.251 0.00403 0.2 0.248 0.00683 0.35 0.3892 0.9634 2079263 Maybridge3_007139 Cc1nc(cs1)c2ccc(cc2)/C(=N/O)/N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 E12 compound treatment 0.262 0.015 0.74 0.264 0.0228 1.18 1.3548 0.9752 2079264 Maybridge3_007140 CN/C(=C(\C(=O)OC)/C(=O)c1cc(C)on1)/C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 E13 compound treatment 0.255 0.00803 0.4 0.256 0.0148 0.76 0.8197 0.9531 2079265 Maybridge3_007141 Fc1cccc(Cl)c1CS(=O)(=O)CC#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 E14 compound treatment 0.255 0.00803 0.4 0.259 0.0178 0.92 0.929 0.9292 2079266 Maybridge3_007142 Cc1cc(no1)c2onc(C)c2C(=O)Sc3c(Cl)cccc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 E15 compound treatment 0.266 0.019 0.94 0.256 0.0148 0.76 1.2028 0.9948 2079267 Maybridge3_007143 CCn1nc(C)cc1C(=O)Sc2ccc(C)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 E16 compound treatment 0.25 0.00303 0.15 0.252 0.0108 0.56 0.5 0.866 2079268 Maybridge3_007144 NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 E17 compound treatment 0.266 0.019 0.94 0.266 0.0248 1.28 1.5669 0.9884 2079269 Maybridge3_007145 Cc1nc(sc1c2ccn[nH]2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 E18 compound treatment 0.263 0.016 0.79 0.266 0.0248 1.28 1.4624 0.9732 2079270 Maybridge3_007146 CCOC(=O)c1noc(C)c1c2csc(N)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 E19 compound treatment 0.274 0.027 1.33 0.268 0.0268 1.38 1.9183 0.9998 2079271 Maybridge3_007147 Cc1nc(cs1)c2noc(n2)c3ccc(cc3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 E20 compound treatment 0.254 0.00703 0.35 0.259 0.0178 0.92 0.8941 0.9112 2079272 Maybridge3_007148 Cc1cc(no1)c2nnnn2c3cc(Cl)cc(Cl)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 E21 compound treatment 0.259 0.012 0.59 0.26 0.0188 0.97 1.1047 0.9721 2079273 Maybridge3_007149 CCn1nc(C)cc1c2nnc(o2)c3ccccc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 E22 compound treatment 0.251 0.00403 0.2 0.249 0.00783 0.4 0.4256 0.9468 2079274 Maybridge3_007150 CCn1nc(C)cc1C(=O)Sc2ccc(cn2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 E23 mock treatment 0.247 3.33E-5 0.0 0.249 0.00783 0.4 0.2863 0.71 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 E24 mock treatment 0.245 -0.00197 -0.1 0.236 -0.00517 -0.27 -0.2566 -0.9064 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 F01 compound treatment 0.244 -0.00297 -0.15 0.241 -1.67E-4 -0.01 -0.1094 -0.7473 2079275 Maybridge3_007151 FC(F)(F)c1cccc(c1)C(=O)CSc2ncccc2C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 F02 compound treatment 0.249 0.00203 0.1 0.252 0.0108 0.56 0.4652 0.821 2079276 Maybridge3_007152 CC(=O)n1nccc1c2cc(no2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 F03 compound treatment 0.251 0.00403 0.2 0.249 0.00783 0.4 0.4256 0.9468 2079277 Maybridge3_007153 Cc1n[nH]c(C)c1Oc2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 F04 compound treatment 0.254 0.00703 0.35 0.256 0.0148 0.76 0.7849 0.9361 1562665 Maybridge3_007154 CC(C)NC(=O)n1nccc1c2cc(no2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 F05 compound treatment 0.27 0.023 1.13 0.271 0.0298 1.54 1.8882 0.9889 2079278 Maybridge3_007155 Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 F06 compound treatment 0.259 0.012 0.59 0.264 0.0228 1.18 1.2503 0.9497 2079279 Maybridge3_007156 Clc1ccc(cc1)c2nccc(n2)c3cc(no3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 F07 compound treatment 0.303 0.056 2.76 0.286 0.0448 2.31 3.5835 0.9961 1320628 Maybridge3_007157 CCn1nc(cc1C(=O)Nc2ccccc2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 F08 compound treatment 0.266 0.019 0.94 0.261 0.0198 1.02 1.3849 0.9991 2079280 Maybridge3_007158 Cc1nn(c(C)c1Oc2ccc(Cl)cc2)S(=O)(=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 F09 compound treatment 0.278 0.031 1.53 0.288 0.0468 2.41 2.7856 0.9758 2079281 Maybridge3_007159 Clc1ccc(NC(=O)c2cc(on2)c3cccs3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 F10 compound treatment 0.262 0.015 0.74 0.256 0.0148 0.76 1.0635 0.9999 2079282 Maybridge3_007160 Cc1c(sc2nc(nn12)C(F)(F)F)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 F11 compound treatment 0.278 0.031 1.53 0.276 0.0348 1.79 2.3488 0.9968 1269512 Maybridge3_007161 COC(OC)c1ccc2c(N)c(sc2n1)C(=O)Nc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 F12 compound treatment 0.247 3.33E-5 0.0 0.261 0.0198 1.02 0.7231 0.7082 2079283 Maybridge3_007162 Cc1c(sc2nc(nn12)C(F)(F)F)C(=O)N3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 F13 compound treatment 0.284 0.037 1.82 0.275 0.0338 1.74 2.5214 0.9997 2079284 Maybridge3_007163 COC(=O)c1ccc(O)c(CSc2ccccn2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 F14 compound treatment 0.258 0.011 0.54 0.259 0.0178 0.92 1.0334 0.9687 2079285 Maybridge3_007164 FC(F)(F)c1cccc(CS(=O)(=O)CC2=NC(=O)CS2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 F15 compound treatment 0.265 0.018 0.89 0.268 0.0268 1.38 1.6048 0.9772 1491467 Maybridge3_007165 Cc1nc(N)nc(O)c1Oc2ccc(Cl)cc2Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 F16 compound treatment 0.253 0.00603 0.3 0.259 0.0178 0.92 0.8593 0.8905 2079286 Maybridge3_007166 CCOC(=O)c1cc(on1)C(=O)CSc2ccc(cn2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 F17 compound treatment 0.264 0.017 0.84 0.27 0.0288 1.48 1.6428 0.9635 2079287 Maybridge3_007167 CNc1cc(C)nc(n1)c2csc(C)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 F18 compound treatment 0.264 0.017 0.84 0.268 0.0268 1.38 1.57 0.9714 2079288 Maybridge3_007168 FC(F)(F)COc1ccc(C#N)cn1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 F19 compound treatment 0.294 0.047 2.32 0.284 0.0428 2.21 3.1973 0.9997 1690234 Maybridge3_007169 CCOC(=O)c1nc(C)sc1c2ccnn2C(=O)c3cccc(Cl)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 F20 compound treatment 0.249 0.00203 0.1 0.255 0.0138 0.71 0.5744 0.7987 1662869 Maybridge3_007170 CCOC(=O)c1cnc(nc1Nc2ccccc2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 F21 compound treatment 0.259 0.012 0.59 0.259 0.0178 0.92 1.0683 0.9776 2079289 Maybridge3_007171 COc1cc(c(cn1)c2ncn[nH]2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 F22 compound treatment 0.26 0.013 0.64 0.256 0.0148 0.76 0.9939 0.9963 2079290 Maybridge3_007172 Cc1csc(n1)c2ccc(Oc3ccc(Cl)cc3)nc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 F23 mock treatment 0.257 0.01 0.49 0.249 0.00783 0.4 0.6346 0.9949 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 F24 mock treatment 0.249 0.00203 0.1 0.245 0.00383 0.2 0.2104 0.9506 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 G01 compound treatment 0.244 -0.00297 -0.15 0.236 -0.00517 -0.27 -0.2914 -0.9602 2079291 Maybridge3_007173 FC(F)(F)c1ccc(cc1)c2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 G02 compound treatment 0.25 0.00303 0.15 0.247 0.00583 0.3 0.318 0.948 2079292 Maybridge3_007174 FC(F)(F)c1ccc(cc1)C(=O)Sc2ccc(cn2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 G03 compound treatment 0.255 0.00803 0.4 0.257 0.0158 0.82 0.8561 0.9449 1662152 Maybridge3_007175 Cc1c(C)n(Cc2cccnc2)c(NC(=O)c3ccc(Cl)cc3)c1C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 G04 compound treatment 0.271 0.024 1.18 0.267 0.0258 1.33 1.7774 0.9983 2079293 Maybridge3_007176 CSc1cc([nH]n1)c2sc(nc2C)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 G05 compound treatment 0.251 0.00403 0.2 0.246 0.00483 0.25 0.3164 0.9938 1531001 Maybridge3_007177 CC(C)S(=O)(=O)c1c(C)c(C)n(Cc2ccc(F)c(Cl)c2)c1N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 G06 compound treatment 0.252 0.00503 0.25 0.257 0.0158 0.82 0.7517 0.8823 2079294 Maybridge3_007178 Cc1c(C(=O)Oc2cccc(c2)C(F)(F)F)n(C)oc1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 G07 compound treatment 0.265 0.018 0.89 0.262 0.0208 1.07 1.3864 0.9956 2079295 Maybridge3_007179 CCOC(=O)c1nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)[nH]c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 G08 compound treatment 0.283 0.036 1.77 0.278 0.0368 1.9 2.5958 0.9995 2079296 Maybridge3_007180 Cc1cc(NC(=O)c2ccc(cc2)C(F)(F)F)no1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 G09 compound treatment 0.253 0.00603 0.3 0.255 0.0138 0.71 0.7137 0.9249 1629065 Maybridge3_007181 CCCS(=O)(=O)c1c(C)c(C)n(Cc2cccc(Cl)c2)c1N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 G10 compound treatment 0.254 0.00703 0.35 0.256 0.0148 0.76 0.7849 0.9361 1162435 Maybridge3_007182 O=C(Cn1c(=O)oc2ccccc12)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 G11 compound treatment 0.257 0.01 0.49 0.255 0.0138 0.71 0.853 0.9841 2079297 Maybridge3_007183 Cc1nc(cs1)c2nnc(SCc3ccc(Cl)cc3)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 G12 compound treatment 0.275 0.028 1.38 0.287 0.0458 2.36 2.6448 0.9674 2079298 Maybridge3_007184 Oc1nnc(Sc2ccc(cn2)C(F)(F)F)n1C3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 G13 compound treatment 0.259 0.012 0.59 0.246 0.00483 0.25 0.595 0.9257 2079299 Maybridge3_007185 N/C(=N\O)/CSCc1ccco1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 G14 compound treatment 0.27 0.023 1.13 0.259 0.0178 0.92 1.4514 0.9945 2079300 Maybridge3_007186 CSc1nn(CSc2nnc([nH]2)c3ccccc3F)c(=S)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 G15 compound treatment 0.255 0.00803 0.4 0.254 0.0128 0.66 0.7469 0.9699 2079301 Maybridge3_007187 CCn1nc(C)cc1C(=O)Oc2ccc(C)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 G16 compound treatment 0.277 0.03 1.48 0.263 0.0218 1.12 1.8408 0.9908 2079302 Maybridge3_007188 Fc1ccccc1c2nnc(o2)c3ccc(OC(F)(F)F)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 G17 compound treatment 0.274 0.027 1.33 0.277 0.0358 1.84 2.2459 0.9872 2079303 Maybridge3_007189 Cc1nc(sc1c2ccnn2C(=O)C3CC3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 G18 compound treatment 0.263 0.016 0.79 0.254 0.0128 0.66 1.0256 0.9961 2079304 Maybridge3_007190 COCc1cc(O)nc(n1)c2csc(C)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 G19 compound treatment 0.268 0.021 1.04 0.271 0.0298 1.54 1.8185 0.9816 1576217 Maybridge3_007191 NC(=O)c1csc(n1)c2ccc(F)cc2F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 G20 compound treatment 0.247 3.33E-5 0.0 0.257 0.0158 0.82 0.5775 0.7085 2079305 Maybridge3_007192 Cc1cc(no1)c2onc(C)c2CO 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 G21 compound treatment 0.271 0.024 1.18 0.249 0.00783 0.4 1.1222 0.8974 2079306 Maybridge3_007193 CCn1nc(C)cc1c2nnc(SCc3ccc(cc3)C(F)(F)F)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 G22 compound treatment 0.247 3.33E-5 0.0 0.247 0.00583 0.3 0.2135 0.711 1440089 Maybridge3_007194 O=C(Nc1cccnc1)C2CCCS2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 G23 mock treatment 0.251 0.00403 0.2 0.249 0.00783 0.4 0.4256 0.9468 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 G24 mock treatment 0.247 3.33E-5 0.0 0.244 0.00283 0.15 0.1043 0.715 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 H01 compound treatment 0.256 0.00903 0.44 0.242 8.33E-4 0.04 0.3449 0.7717 2079307 Maybridge3_007195 FC(F)(F)c1ccc(NC(=O)CSc2ncccc2C(F)(F)F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 H02 compound treatment 0.249 0.00203 0.1 0.251 0.00983 0.51 0.4288 0.8309 2079308 Maybridge3_007196 O=C(c1ccccc1)n2nccc2c3cc(no3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 H03 compound treatment 0.282 0.035 1.73 0.273 0.0318 1.64 2.3789 0.9997 2079309 Maybridge3_007197 Cc1ccc(cc1)c2n[nH]cc2Sc3ccc(cn3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 H04 compound treatment 0.252 0.00503 0.25 0.253 0.0118 0.61 0.6061 0.9215 2079310 Maybridge3_007198 COC(OC)c1c(cnn1c2ccc(F)cc2F)C(=O)OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 H05 compound treatment 0.255 0.00803 0.4 0.252 0.0108 0.56 0.6741 0.9859 2079311 Maybridge3_007199 CCOC(=O)c1cc(on1)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 H06 compound treatment 0.252 0.00503 0.25 0.247 0.00583 0.3 0.3876 0.9955 2079312 Maybridge3_007200 Cc1cc(no1)c2c(C(=O)N3CCCCC3)c(C)nn2c4cccc(c4)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 H07 compound treatment 0.28 0.033 1.63 0.28 0.0388 2.0 2.5641 0.9948 2079313 Maybridge3_007201 CCOC(=O)c1sc2nc(C)c(cc2c1N)C(=O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 H08 compound treatment 0.265 0.018 0.89 0.26 0.0188 0.97 1.3136 0.999 2079314 Maybridge3_007202 COc1ccccc1c2nc(C)c3c(C)c(C#N)sc3n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 H09 compound treatment 0.258 0.011 0.54 0.253 0.0118 0.61 0.815 0.9984 1483111 Maybridge3_007203 O=C(N1CCCCC1)c2cc(on2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 H10 compound treatment 0.258 0.011 0.54 0.26 0.0188 0.97 1.0698 0.9625 2079315 Maybridge3_007204 Cc1nnsc1c2c(C(=O)Oc3ccccc3)c(C)nn2c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 H11 compound treatment 0.253 0.00603 0.3 0.249 0.00783 0.4 0.4953 0.9887 2079316 Maybridge3_007205 CC(=O)n1nc(C)c(Sc2ccc(cn2)C(F)(F)F)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 H12 compound treatment 0.277 0.03 1.48 0.278 0.0368 1.9 2.3868 0.9925 2079317 Maybridge3_007206 Cc1c(sc2nc(nn12)C(F)(F)F)C(=O)Oc3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 H13 compound treatment 0.252 0.00503 0.25 0.253 0.0118 0.61 0.6061 0.9215 2079318 Maybridge3_007207 Cc1nn(C(=O)c2ccc(C)cc2)c(C)c1Sc3nccn3C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 H14 compound treatment 0.253 0.00603 0.3 0.254 0.0128 0.66 0.6773 0.9349 2079319 Maybridge3_007208 CC(C)(C)c1nc(no1)c2ccc(cn2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 H15 compound treatment 0.254 0.00703 0.35 0.255 0.0138 0.71 0.7485 0.9452 1557763 Maybridge3_007209 CC(=O)Nc1nc(C)c(Oc2ccc(Cl)cc2Cl)c(O)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 H16 compound treatment 0.255 0.00803 0.4 0.258 0.0168 0.87 0.8926 0.9369 1518659 Maybridge3_007210 CN(C)Cc1coc2ccccc2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 H17 compound treatment 0.264 0.017 0.84 0.264 0.0228 1.18 1.4244 0.9863 2079320 Maybridge3_007211 CCOC(=O)c1csc(n1)c2cc(C)on2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 H18 compound treatment 0.257 0.01 0.49 0.252 0.0108 0.56 0.7438 0.9982 1674091 Maybridge3_007212 NC(=O)c1ccc(Oc2ccc(Cl)cc2)nc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 H19 compound treatment 0.271 0.024 1.18 0.263 0.0218 1.12 1.6318 0.9997 2079321 Maybridge3_007213 COc1ccc(cc1)c2csc(n2)c3cc(C)on3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 H20 compound treatment 0.26 0.013 0.64 0.266 0.0248 1.28 1.3579 0.9492 2079322 Maybridge3_007214 COc1ccc(cc1)C2(O)NC(=NC(=C2C#N)SC)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 H21 compound treatment 0.257 0.01 0.49 0.257 0.0158 0.82 0.9258 0.9712 2079323 Maybridge3_007215 C/C(=N\O)/c1cc(no1)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 H22 compound treatment 0.264 0.017 0.84 0.264 0.0228 1.18 1.4244 0.9863 1710904 Maybridge3_007216 CC(C)S(=O)(=O)c1cnc(COc2ccc(cc2)C(C)(C)C)nc1N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 H23 mock treatment 0.254 0.00703 0.35 0.255 0.0138 0.71 0.7485 0.9452 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 H24 mock treatment 0.252 0.00503 0.25 0.246 0.00483 0.25 0.3512 1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 I01 compound treatment 0.231 -0.016 -0.79 0.223 -0.0182 -0.94 -1.2174 -0.9963 2079324 Maybridge3_007217 CCCS(=O)(=O)c1c(C)c(C)n(Cc2ccc(cc2)C(F)(F)F)c1N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 I02 compound treatment 0.291 0.044 2.17 0.276 0.0348 1.79 2.8016 0.9955 2079325 Maybridge3_007218 Cc1ccc(cc1)C(=O)CSc2ccc(cn2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 I03 compound treatment 0.255 0.00803 0.4 0.253 0.0118 0.61 0.7105 0.9782 2079326 Maybridge3_007219 Cc1cc(c2nc(no2)c3ccc(cc3)C(F)(F)F)n(C)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 I04 compound treatment 0.25 0.00303 0.15 0.252 0.0108 0.56 0.5 0.866 2079327 Maybridge3_007220 FC(F)(F)c1ccc(cc1)n2nnnc2c3ccno3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 I05 compound treatment 0.265 0.018 0.89 0.262 0.0208 1.07 1.3864 0.9956 1432024 Maybridge3_007221 CCOC(=O)c1csc(CS(=O)(=O)Cc2ccc(F)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 I06 compound treatment 0.262 0.015 0.74 0.26 0.0188 0.97 1.2091 0.9911 2079328 Maybridge3_007222 Cc1nc(C)c(s1)c2nnc(o2)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 I07 compound treatment 0.256 0.00903 0.44 0.256 0.0148 0.76 0.8546 0.9669 2079329 Maybridge3_007223 COC(=O)c1c(C)noc1c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 I08 compound treatment 0.266 0.019 0.94 0.264 0.0228 1.18 1.4941 0.9937 2079330 Maybridge3_007224 COC(=O)c1ccc(cc1)c2nnco2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 I09 compound treatment 0.256 0.00903 0.44 0.251 0.00983 0.51 0.6726 0.9979 1139760 Maybridge3_007225 CCOC(=O)c1sc(CS(=O)(=O)c2ccccn2)nc1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 I10 compound treatment 0.256 0.00903 0.44 0.258 0.0168 0.87 0.9274 0.952 2079331 Maybridge3_007226 FC(F)(F)c1cccnc1n2cncn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 I11 compound treatment 0.268 0.021 1.04 0.266 0.0248 1.28 1.6365 0.9946 2079332 Maybridge3_007227 Cc1nc(cs1)c2nnc(SCc3ccc(cc3)C(F)(F)F)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 I12 compound treatment 0.259 0.012 0.59 0.26 0.0188 0.97 1.1047 0.9721 2079333 Maybridge3_007228 Cc1cc(no1)c2onc(C)c2C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 I13 compound treatment 0.323 0.076 3.74 0.317 0.0758 3.9 5.4085 0.9998 2079334 Maybridge3_007229 CCOC(=O)c1sc(nc1O)c2cccc(Cl)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 I14 compound treatment 0.257 0.01 0.49 0.25 0.00883 0.45 0.671 0.9991 2079335 Maybridge3_007230 COC(=O)c1c(C)nn(C)c1c2ccno2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 I15 compound treatment 0.25 0.00303 0.15 0.253 0.0118 0.61 0.5364 0.8552 1275369 Maybridge3_007231 CC(C)n1c(SCC(=O)O)nc2ccccc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 I16 compound treatment 0.25 0.00303 0.15 0.257 0.0158 0.82 0.682 0.823 2079336 Maybridge3_007232 Fc1ccccc1c2nnc(o2)c3ccccc3OC(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 I17 compound treatment 0.278 0.031 1.53 0.271 0.0298 1.54 2.1668 1.0 2079337 Maybridge3_007233 CC(C)NC(=O)n1nccc1c2sc(nc2C)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 I18 compound treatment 0.265 0.018 0.89 0.262 0.0208 1.07 1.3864 0.9956 2079338 Maybridge3_007234 Cc1nc(cs1)c2nc(C)c(Cl)c(O)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 I19 compound treatment 0.253 0.00603 0.3 0.251 0.00983 0.51 0.5681 0.9678 2079339 Maybridge3_007235 CCOC(=O)Cc1csc(n1)c2ccc(F)cc2F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 I20 compound treatment 0.25 0.00303 0.15 0.249 0.00783 0.4 0.3908 0.9087 2079340 Maybridge3_007236 CSCc1c(C)noc1c2cc(C)on2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 I21 compound treatment 0.262 0.015 0.74 0.257 0.0158 0.82 1.0999 0.9988 2079341 Maybridge3_007237 CCn1nc(C)cc1c2nnc(SCc3c(Cl)cccc3Cl)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 I22 compound treatment 0.257 0.01 0.49 0.258 0.0168 0.87 0.9622 0.9645 2079342 Maybridge3_007238 C/C(=N\O)/c1csc(n1)c2snnc2C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 I23 mock treatment 0.254 0.00703 0.35 0.253 0.0118 0.61 0.6757 0.9642 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 I24 mock treatment 0.253 0.00603 0.3 0.245 0.00383 0.2 0.3497 0.9802 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 J01 compound treatment 0.217 -0.03 -1.48 0.209 -0.0322 -1.66 -2.2146 -0.9984 2079343 Maybridge3_007239 FC(F)(F)c1cccnc1SCC#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 J02 compound treatment 0.24 -0.00697 -0.34 0.24 -0.00117 -0.06 -0.2851 -0.8184 2079344 Maybridge3_007240 COC(=O)c1sccc1OCc2ncc(cc2Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 J03 compound treatment 0.248 0.00103 0.05 0.24 -0.00117 -0.06 -0.0065 -0.0823 2079345 Maybridge3_007241 Cn1c(SCc2ccccc2)nc3cc(cnc13)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 J04 compound treatment 0.252 0.00503 0.25 0.254 0.0128 0.66 0.6425 0.9105 2079346 Maybridge3_007242 COC(OC)c1nc(SCc2ccc(Cl)cc2)c(C#N)cc1C(=O)OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 J05 compound treatment 0.256 0.00903 0.44 0.257 0.0158 0.82 0.891 0.9594 2079347 Maybridge3_007243 Cc1cc(no1)c2noc(n2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 J06 compound treatment 0.252 0.00503 0.25 0.258 0.0168 0.87 0.7881 0.8743 1680692 Maybridge3_007244 CNC(=O)c1c(C)nn(c1c2cc(C)on2)c3ccc(F)c(Cl)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 J07 compound treatment 0.262 0.015 0.74 0.258 0.0168 0.87 1.1363 0.9969 2079348 Maybridge3_007245 CC(C)NC(=O)n1ncc(Sc2ccc(Cl)cc2)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 J08 compound treatment 0.25 0.00303 0.15 0.252 0.0108 0.56 0.5 0.866 2079349 Maybridge3_007246 COc1ccc(OCc2ncc(cc2Cl)C(F)(F)F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 J09 compound treatment 0.246 -9.67E-4 -0.05 0.25 0.00883 0.45 0.2879 0.6296 1593404 Maybridge3_007247 CC(C)NC(=O)c1cc(on1)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 J10 compound treatment 0.243 -0.00397 -0.2 0.251 0.00983 0.51 0.2198 0.4051 2079350 Maybridge3_007248 Cc1noc2ncnc(SCC(=O)Nc3ccccc3Cl)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 J11 compound treatment 0.252 0.00503 0.25 0.258 0.0168 0.87 0.7881 0.8743 2079351 Maybridge3_007249 COC(OC)c1ccc(C#N)c(SCC#N)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 J12 compound treatment 0.296 0.049 2.42 0.306 0.0648 3.34 4.0678 0.9874 2079352 Maybridge3_007250 Cc1c(sc2nc(nn12)C(F)(F)F)C(=O)Nc3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 J13 compound treatment 0.245 -0.00197 -0.1 0.252 0.0108 0.56 0.3259 0.5757 1265777 Maybridge3_007251 Cc1nn(c(C)c1Sc2nccn2C)S(=O)(=O)c3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 J14 compound treatment 0.242 -0.00497 -0.24 0.245 0.00383 0.2 -0.0334 -0.1064 2079353 Maybridge3_007252 Cc1c(sc2nc(nn12)C(F)(F)F)c3ccnc(n3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 J15 compound treatment 0.273 0.026 1.28 0.258 0.0168 0.87 1.5194 0.9818 2079354 Maybridge3_007253 Clc1ccc(cc1)c2csc(n2)c3ccno3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 J16 compound treatment 0.249 0.00203 0.1 0.256 0.0148 0.76 0.6108 0.7931 2079355 Maybridge3_007254 COC(OC)c1cc(O)nc(SC)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 J17 compound treatment 0.261 0.014 0.69 0.259 0.0178 0.92 1.1379 0.9902 2079356 Maybridge3_007255 Cc1cc(no1)c2nc(cs2)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 J18 compound treatment 0.282 0.035 1.73 0.282 0.0408 2.1 2.7065 0.9952 1193728 Maybridge3_007256 Cc1nc(C)c(Oc2ccc(Cl)cc2Cl)c(NCc3ccccc3)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 J19 compound treatment 0.277 0.03 1.48 0.283 0.0418 2.15 2.5688 0.9832 1503780 Maybridge3_007257 CCOC(=O)c1c(C)noc1c2csc(Nc3ccc(Cl)cc3)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 J20 compound treatment 0.253 0.00603 0.3 0.248 0.00683 0.35 0.4589 0.9965 2079357 Maybridge3_007258 FC(F)(F)C1CCN(CC1)C(=O)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 J21 compound treatment 0.251 0.00403 0.2 0.25 0.00883 0.45 0.462 0.931 1373051 Maybridge3_007259 Cc1nc2ccccn2c1c3ccnc(SCC(=O)Nc4ccccc4)n3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 J22 compound treatment 0.252 0.00503 0.25 0.251 0.00983 0.51 0.5333 0.946 2079358 Maybridge3_007260 CC(C)S(=O)(=O)c1cnc(nc1N)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 J23 mock treatment 0.25 0.00303 0.15 0.249 0.00783 0.4 0.3908 0.9087 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 J24 mock treatment 0.243 -0.00397 -0.2 0.237 -0.00417 -0.21 -0.2898 -0.9989 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 K01 compound treatment 0.21 -0.037 -1.82 0.204 -0.0372 -1.91 -2.6404 -0.9997 2079359 Maybridge3_007261 CCn1nc(C)cc1/C(=N/O)/N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 K02 compound treatment 0.251 0.00403 0.2 0.245 0.00383 0.2 0.28 1.0 2079360 Maybridge3_007262 FC(F)(F)c1ccc(SCC(=O)c2ccc(Cl)cc2)nc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 K03 compound treatment 0.252 0.00503 0.25 0.252 0.0108 0.56 0.5697 0.9334 2079361 Maybridge3_007263 Cc1cc(/C(=N\O)/N)n(C)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 K04 compound treatment 0.254 0.00703 0.35 0.255 0.0138 0.71 0.7485 0.9452 1239096 Maybridge3_007264 Clc1ccc(cc1)n2nnnc2c3ccno3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 K05 compound treatment 0.25 0.00303 0.15 0.257 0.0158 0.82 0.682 0.823 2079362 Maybridge3_007265 COC(=O)c1c(C)nn(C)c1c2snnc2C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 K06 compound treatment 0.252 0.00503 0.25 0.26 0.0188 0.97 0.8609 0.8602 2079363 Maybridge3_007266 Cc1nc(C)c(s1)c2nnc(o2)c3ccc(cc3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 K07 compound treatment 0.244 -0.00297 -0.15 0.247 0.00583 0.3 0.109 0.3265 2079364 Maybridge3_007267 COC(=O)c1c(C)noc1c2ccc(cc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 K08 compound treatment 0.257 0.01 0.49 0.259 0.0178 0.92 0.9986 0.9578 2079365 Maybridge3_007268 Cc1cc(no1)C(=O)Nc2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 K09 compound treatment 0.254 0.00703 0.35 0.252 0.0108 0.56 0.6393 0.9738 1678374 Maybridge3_007269 NC(=O)Cc1cc(Br)sc1Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 K10 compound treatment 0.255 0.00803 0.4 0.252 0.0108 0.56 0.6741 0.9859 2079366 Maybridge3_007270 O=C(Sc1ccccc1)c2ccno2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 K11 compound treatment 0.266 0.019 0.94 0.259 0.0178 0.92 1.3121 0.9999 1659270 Maybridge3_007271 Clc1ccc(NC(=O)COc2ccc(cc2)C3SCCS3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 K12 compound treatment 0.285 0.038 1.87 0.297 0.0558 2.87 3.3571 0.9785 1495224 Maybridge3_007272 Cc1cc(no1)c2onc(C)c2C(=O)Nc3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 K13 compound treatment 0.254 0.00703 0.35 0.266 0.0248 1.28 1.1489 0.8674 2079367 Maybridge3_007273 CCn1nc(C)cc1c2nnc(SCC(=O)c3ccccc3)n2c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 K14 compound treatment 0.256 0.00903 0.44 0.253 0.0118 0.61 0.7454 0.9881 2079368 Maybridge3_007274 COC(=O)c1c(C)nn(c1c2cc(C)on2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 K15 compound treatment 0.253 0.00603 0.3 0.26 0.0188 0.97 0.8957 0.8833 2079369 Maybridge3_007275 Cc1nc(COc2cccc(Cl)c2)sc1c3ccn[nH]3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 K16 compound treatment 0.266 0.019 0.94 0.266 0.0248 1.28 1.5669 0.9884 2079370 Maybridge3_007276 FC(F)(F)Oc1ccc(cc1)c2nnc(o2)c3ccncc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 K17 compound treatment 0.256 0.00903 0.44 0.257 0.0158 0.82 0.891 0.9594 2079371 Maybridge3_007277 CCOC(=O)c1cc(CSc2nnc(SC)s2)on1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 K18 compound treatment 0.259 0.012 0.59 0.261 0.0198 1.02 1.1411 0.9665 2079372 Maybridge3_007278 CSc1nc(N)nc(n1)c2csc(C)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 K19 compound treatment 0.248 0.00103 0.05 0.254 0.0128 0.66 0.5032 0.7593 2079373 Maybridge3_007279 Cc1nc(cs1)c2nnc(o2)c3ccc(cc3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 K20 compound treatment 0.293 0.046 2.27 0.295 0.0538 2.77 3.5629 0.995 2079374 Maybridge3_007280 Cc1cc(OC(=O)c2ccno2)cc(C)c1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 K21 compound treatment 0.264 0.017 0.84 0.253 0.0118 0.61 1.024 0.9876 2079375 Maybridge3_007281 Clc1ccc(cc1)c2nnc(CSc3nnc(SCC4CC4)s3)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 K22 compound treatment 0.256 0.00903 0.44 0.254 0.0128 0.66 0.7818 0.9815 1381015 Maybridge3_007282 COC(=O)c1sccc1NC(=O)c2ccno2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 K23 mock treatment 0.255 0.00803 0.4 0.251 0.00983 0.51 0.6377 0.9926 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 K24 mock treatment 0.255 0.00803 0.4 0.244 0.00283 0.15 0.3829 0.908 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 L01 compound treatment 0.24 -0.00697 -0.34 0.25 0.00883 0.45 0.0789 0.1385 2079376 Maybridge3_007283 FC(F)(F)c1cccc(c1)C(=O)Sc2ncccc2C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 L02 compound treatment 0.243 -0.00397 -0.2 0.251 0.00983 0.51 0.2198 0.4051 2079377 Maybridge3_007284 Cc1onc(c1c2ccn[nH]2)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 L03 compound treatment 0.256 0.00903 0.44 0.256 0.0148 0.76 0.8546 0.9669 2079378 Maybridge3_007285 Cn1c(SCC(=O)O)nc2cc(cnc12)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 L04 compound treatment 0.254 0.00703 0.35 0.256 0.0148 0.76 0.7849 0.9361 2079379 Maybridge3_007286 COC(=O)c1cnn(c1/C=N/c2ccc(C)cc2)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 L05 compound treatment 0.255 0.00803 0.4 0.257 0.0158 0.82 0.8561 0.9449 2079380 Maybridge3_007287 CCOC(=O)c1cc(nn1C(=O)c2ccccc2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 L06 compound treatment 0.258 0.011 0.54 0.258 0.0168 0.87 0.997 0.9747 2079381 Maybridge3_007288 Cc1nccc(n1)c2cc(no2)c3ccc(Cl)cc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 L07 compound treatment 0.249 0.00203 0.1 0.244 0.00283 0.15 0.174 0.9832 2079382 Maybridge3_007289 COC(OC)c1ccnc(SCC(=O)Nc2ccc(cc2)C(C)C)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 L08 compound treatment 0.255 0.00803 0.4 0.254 0.0128 0.66 0.7469 0.9699 2079383 Maybridge3_007290 CC(=O)Nc1ccc(OCc2ncc(cc2Cl)C(F)(F)F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 L09 compound treatment 0.25 0.00303 0.15 0.246 0.00483 0.25 0.2816 0.9702 2079384 Maybridge3_007291 Cc1n[nH]c(C)c1Sc2ccc(cn2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 L10 compound treatment 0.24 -0.00697 -0.34 0.241 -1.67E-4 -0.01 -0.2487 -0.7246 2079385 Maybridge3_007292 CC1=C(Oc2ccc(Cl)cc2)C(C)(O)N=C(N1)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 L11 compound treatment 0.255 0.00803 0.4 0.25 0.00883 0.45 0.6013 0.9976 2079386 Maybridge3_007293 COC(OC)c1ccc(C#N)c(SCC(=O)Nc2ccccc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 L12 compound treatment 0.251 0.00403 0.2 0.253 0.0118 0.61 0.5712 0.8915 2079387 Maybridge3_007294 CC(=O)Nc1cc(O)nc(n1)c2ccccn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 L13 compound treatment 0.25 0.00303 0.15 0.258 0.0168 0.87 0.7184 0.817 2079388 Maybridge3_007295 CSc1nc(/C=N/c2ccc(Cl)cc2Cl)ccc1C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 L14 compound treatment 0.25 0.00303 0.15 0.248 0.00683 0.35 0.3544 0.9273 2079389 Maybridge3_007296 CSc1nc(N)nc(COc2ccccc2Cl)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 L15 compound treatment 0.257 0.01 0.49 0.254 0.0128 0.66 0.8166 0.9898 1485989 Maybridge3_007297 CCOC(=O)c1cc(on1)c2csc(Nc3ccccc3)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 L16 compound treatment 0.285 0.038 1.87 0.304 0.0628 3.23 3.6119 0.9663 2079390 Maybridge3_007298 COC(OC)c1cc(O)nc(SCc2c(Cl)cccc2Cl)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 L17 compound treatment 0.263 0.016 0.79 0.265 0.0238 1.23 1.426 0.9773 2079391 Maybridge3_007299 Cc1ccccc1CSc2cnc(C)nc2C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 L18 compound treatment 0.282 0.035 1.73 0.27 0.0288 1.48 2.2697 0.9972 2079392 Maybridge3_007300 FC(F)(F)c1ccc(nc1)c2nc(cs2)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 L19 compound treatment 0.251 0.00403 0.2 0.257 0.0158 0.82 0.7168 0.8544 2079393 Maybridge3_007301 Cc1nc(cs1)c2cc(no2)c3nc(no3)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 L20 compound treatment 0.253 0.00603 0.3 0.252 0.0108 0.56 0.6045 0.9566 2079394 Maybridge3_007302 FC(F)(F)c1cnc(NN2C3CSC2CS3)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 L21 compound treatment 0.254 0.00703 0.35 0.251 0.00983 0.51 0.6029 0.9829 1456968 Maybridge3_007303 COC(Cn1c(SCc2ccccc2)nnc1c3ccccc3)OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 L22 compound treatment 0.278 0.031 1.53 0.268 0.0268 1.38 2.0576 0.9987 2079395 Maybridge3_007304 CSc1nc(nc(N)c1C#N)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 L23 mock treatment 0.256 0.00903 0.44 0.256 0.0148 0.76 0.8546 0.9669 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 L24 mock treatment 0.251 0.00403 0.2 0.245 0.00383 0.2 0.28 1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 M01 compound treatment 0.232 -0.015 -0.74 0.212 -0.0292 -1.5 -1.583 -0.9464 1542413 Maybridge3_007305 Cc1c(C)n(CC2CC2)c(c1C#N)n3cccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 M02 compound treatment 0.25 0.00303 0.15 0.251 0.00983 0.51 0.4636 0.8783 2079396 Maybridge3_007306 O/N=C/c1nn(cc1Br)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 M03 compound treatment 0.25 0.00303 0.15 0.246 0.00483 0.25 0.2816 0.9702 2079397 Maybridge3_007307 CCOC(=O)c1csc(Cc2c(Cl)cccc2Cl)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 M04 compound treatment 0.25 0.00303 0.15 0.252 0.0108 0.56 0.5 0.866 2079398 Maybridge3_007308 Clc1ccc(cc1)c2nnc(Cc3csc(n3)c4cccs4)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 M05 compound treatment 0.246 -9.67E-4 -0.05 0.26 0.0188 0.97 0.6519 0.6716 2079399 Maybridge3_007309 Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 M06 compound treatment 0.252 0.00503 0.25 0.261 0.0198 1.02 0.8973 0.854 2079400 Maybridge3_007310 Cc1c(c2nc(no2)c3ccc(cc3)C(C)(C)C)n(C)oc1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 M07 compound treatment 0.249 0.00203 0.1 0.243 0.00183 0.09 0.1376 0.9996 2079401 Maybridge3_007311 CSc1nnc(SCC#N)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 M08 compound treatment 0.279 0.032 1.58 0.267 0.0258 1.33 2.056 0.9964 2079402 Maybridge3_007312 Cc1cc(no1)c2nc(no2)c3ccc(cc3)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 M09 compound treatment 0.247 3.33E-5 0.0 0.252 0.0108 0.56 0.3955 0.7092 2079403 Maybridge3_007313 CCOC(=O)Cn1nnc(n1)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 M10 compound treatment 0.248 0.00103 0.05 0.25 0.00883 0.45 0.3575 0.7814 2079404 Maybridge3_007314 Cc1ccc(SC(=O)c2ccno2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 M11 compound treatment 0.26 0.013 0.64 0.258 0.0168 0.87 1.0667 0.9891 1129579 Maybridge3_007315 Cc1nc(cs1)c2nnc(SCC(=O)c3ccccc3)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 M12 compound treatment 0.259 0.012 0.59 0.255 0.0138 0.71 0.9227 0.9958 2079405 Maybridge3_007316 CC(C)(C)c1nn(Cc2ccccc2)c(C(=O)O)c1Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 M13 compound treatment 0.242 -0.00497 -0.24 0.255 0.0138 0.71 0.3306 0.439 1238054 Maybridge3_007317 CCOC(=O)c1sc(nc1CSc2nnc(SC)s2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 M14 compound treatment 0.25 0.00303 0.15 0.252 0.0108 0.56 0.5 0.866 2079406 Maybridge3_007318 Cc1cc(O)nc(n1)c2ccccc2OC(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 M15 compound treatment 0.279 0.032 1.58 0.276 0.0348 1.79 2.3836 0.998 2079407 Maybridge3_007319 CC(=O)n1nccc1c2sc(COc3cccc(Cl)c3)nc2C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 M16 compound treatment 0.245 -0.00197 -0.1 0.249 0.00783 0.4 0.2167 0.5224 2079408 Maybridge3_007320 FC(F)(F)Oc1ccccc1c2nnc(o2)c3ccncc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 M17 compound treatment 0.253 0.00603 0.3 0.256 0.0148 0.76 0.7501 0.9154 2079409 Maybridge3_007321 Cc1nc(cs1)/C(=N/O)/N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 M18 compound treatment 0.255 0.00803 0.4 0.258 0.0168 0.87 0.8926 0.9369 2079410 Maybridge3_007322 Cc1nc(cs1)c2ccnc(n2)c3cc(Cl)cc(Cl)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 M19 compound treatment 0.251 0.00403 0.2 0.25 0.00883 0.45 0.462 0.931 1532224 Maybridge3_007323 Cc1nc(cs1)c2nnc(o2)c3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 M20 compound treatment 0.247 3.33E-5 0.0 0.251 0.00983 0.51 0.3591 0.7094 2079411 Maybridge3_007324 FC(F)(F)c1cccnc1SC(=O)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 M21 compound treatment 0.244 -0.00297 -0.15 0.247 0.00583 0.3 0.109 0.3265 2079412 Maybridge3_007325 Cc1cc(no1)c2nnc(o2)c3ccc(cc3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 M22 compound treatment 0.252 0.00503 0.25 0.255 0.0138 0.71 0.6789 0.9003 1420687 Maybridge3_007326 Nc1nccc(n1)c2csc(COc3ccc(Cl)cc3)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 M23 mock treatment 0.251 0.00403 0.2 0.248 0.00683 0.35 0.3892 0.9634 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 M24 mock treatment 0.25 0.00303 0.15 0.237 -0.00417 -0.21 -0.046 -0.1761 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 N01 compound treatment 0.238 -0.00897 -0.44 0.213 -0.0282 -1.45 -1.3376 -0.8824 2079413 Maybridge3_007327 COC(=O)c1ccc(Oc2cccc(c2)C(F)(F)F)nc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 N02 compound treatment 0.243 -0.00397 -0.2 0.24 -0.00117 -0.06 -0.1806 -0.8837 1221274 Maybridge3_007328 CC(C)NC(=O)n1nccc1c2c(C)onc2c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 N03 compound treatment 0.246 -9.67E-4 -0.05 0.244 0.00283 0.15 0.0695 0.4528 2079414 Maybridge3_007329 COc1nc(C)nc(C)c1Oc2ccc(Cl)cc2Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 N04 compound treatment 0.247 3.33E-5 0.0 0.25 0.00883 0.45 0.3227 0.7097 2079415 Maybridge3_007330 CC(=O)Nc1nccc(n1)c2cc(no2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 N05 compound treatment 0.246 -9.67E-4 -0.05 0.249 0.00783 0.4 0.2515 0.6193 2079416 Maybridge3_007331 COC(OC)c1ccnc(SCc2ccccc2Cl)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 N06 compound treatment 0.241 -0.00597 -0.29 0.251 0.00983 0.51 0.1502 0.2565 2079417 Maybridge3_007332 COC(=O)c1cnn(c1/C=N/O)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 N07 compound treatment 0.247 3.33E-5 0.0 0.245 0.00383 0.2 0.1407 0.713 2079418 Maybridge3_007333 Cc1cc(no1)c2noc(n2)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 N08 compound treatment 0.247 3.33E-5 0.0 0.246 0.00483 0.25 0.1771 0.7118 2079419 Maybridge3_007334 CCOC(=O)c1sc2nc(nn2c1C)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 N09 compound treatment 0.247 3.33E-5 0.0 0.243 0.00183 0.09 0.0679 0.7193 2079420 Maybridge3_007335 COC(OC)c1ccc(C#N)c(SC)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 N10 compound treatment 0.27 0.023 1.13 0.254 0.0128 0.66 1.2693 0.9669 1537540 Maybridge3_007336 COc1ccc(cc1)c2csc(n2)c3c(C)noc3N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 N11 compound treatment 0.257 0.01 0.49 0.259 0.0178 0.92 0.9986 0.9578 2079421 Maybridge3_007337 COC(OC)c1ccc2c(N)c(C#N)sc2n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 N12 compound treatment 0.272 0.025 1.23 0.273 0.0318 1.64 2.0306 0.9902 1600614 Maybridge3_007338 CC(=O)Nc1onc(C)c1c2nc(cs2)c3ccc(Cl)cc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 N13 compound treatment 0.248 0.00103 0.05 0.256 0.0148 0.76 0.576 0.7526 2079422 Maybridge3_007339 CSc1nc(/C=N/c2ccc(C)cc2)ccc1C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 N14 compound treatment 0.246 -9.67E-4 -0.05 0.262 0.0208 1.07 0.7247 0.6751 1678205 Maybridge3_007340 COc1ccc(OCc2nc(N)nc(SC)n2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 N15 compound treatment 0.253 0.00603 0.3 0.254 0.0128 0.66 0.6773 0.9349 2079423 Maybridge3_007341 Cc1cc(no1)c2nc(cs2)c3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 N16 compound treatment 0.275 0.028 1.38 0.284 0.0428 2.21 2.5356 0.9746 2079424 Maybridge3_007342 COC(OC)c1cc(O)nc(SCc2ccc(Cl)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 N17 compound treatment 0.258 0.011 0.54 0.253 0.0118 0.61 0.815 0.9984 1403096 Maybridge3_007343 COCc1cc(nc(n1)c2csc(C)n2)N3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 N18 compound treatment 0.277 0.03 1.48 0.266 0.0248 1.28 1.95 0.9974 2079425 Maybridge3_007344 CCOC(=O)c1cc2nc3sccn3c2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 N19 compound treatment 0.244 -0.00297 -0.15 0.248 0.00683 0.35 0.1454 0.3818 1402976 Maybridge3_007345 Cc1nc(cs1)c2cc(no2)c3nc(no3)c4ccc(cc4)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 N20 compound treatment 0.242 -0.00497 -0.24 0.246 0.00483 0.25 0.003 0.0085 2079426 Maybridge3_007346 Cc1nc(no1)c2ccc(cc2)c3csc(n3)c4cnccc4C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 N21 compound treatment 0.244 -0.00297 -0.15 0.249 0.00783 0.4 0.1818 0.4239 2079427 Maybridge3_007347 COC(Cn1c(SC)nnc1c2ccc(Cl)cc2)OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 N22 compound treatment 0.247 3.33E-5 0.0 0.249 0.00783 0.4 0.2863 0.71 2079428 Maybridge3_007348 CSc1nnc(c2ccccc2)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 N23 mock treatment 0.25 0.00303 0.15 0.245 0.00383 0.2 0.2452 0.9906 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 N24 mock treatment 0.245 -0.00197 -0.1 0.243 0.00183 0.09 -0.0018 -0.013 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 O01 compound treatment 0.21 -0.037 -1.82 0.215 -0.0262 -1.35 -2.24 -0.989 1396462 Maybridge3_007349 Cc1c(C)n(CC2CC2)c(NC(=O)c3cccs3)c1C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 O02 compound treatment 0.249 0.00203 0.1 0.247 0.00583 0.3 0.2832 0.8945 1488551 Maybridge3_007350 Clc1cccc(c1)c2nnc(CCn3c(=O)oc4ccccc34)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 O03 compound treatment 0.246 -9.67E-4 -0.05 0.24 -0.00117 -0.06 -0.0761 -0.9934 2079429 Maybridge3_007351 CCOC(=O)c1csc(CS(=O)(=O)c2ccc(Cl)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 O04 compound treatment 0.248 0.00103 0.05 0.242 8.33E-4 0.04 0.0663 0.9964 1723271 Maybridge3_007352 Clc1cccc(OC(=O)CCn2c(=O)oc3ccccc23)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 O05 compound treatment 0.263 0.016 0.79 0.264 0.0228 1.18 1.3896 0.9813 2079430 Maybridge3_007353 Oc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1Cc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 O06 compound treatment 0.251 0.00403 0.2 0.246 0.00483 0.25 0.3164 0.9938 2079431 Maybridge3_007354 Cc1nc(no1)c2ccc(Oc3ncc(cc3Cl)C(F)(F)F)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 O07 compound treatment 0.242 -0.00497 -0.24 0.24 -0.00117 -0.06 -0.2154 -0.8553 2079432 Maybridge3_007355 CCOC(=O)c1csc(CS(=O)(=O)Cc2cccc(c2)C(F)(F)F)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 O08 compound treatment 0.249 0.00203 0.1 0.253 0.0118 0.61 0.5016 0.8124 2079433 Maybridge3_007356 Cc1cc(no1)C(=O)Sc2ccc(C)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 O09 compound treatment 0.242 -0.00497 -0.24 0.243 0.00183 0.09 -0.1062 -0.4052 2079434 Maybridge3_007357 Cc1nc(cs1)c2nnc(SCc3ccc(C)cc3)n2C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 O10 compound treatment 0.244 -0.00297 -0.15 0.244 0.00283 0.15 -2.0E-4 -9.0E-4 2079435 Maybridge3_007358 FC(F)(F)c1nnc(Sc2ccc(cn2)C(F)(F)F)[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 O11 compound treatment 0.232 -0.015 -0.74 0.235 -0.00617 -0.32 -0.7457 -0.9291 2079436 Maybridge3_007359 CC(C)c1ccc(NC(=O)CSc2nc3nc(C)cc(C)n3n2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 O12 compound treatment 0.241 -0.00597 -0.29 0.244 0.00283 0.15 -0.1047 -0.319 2079437 Maybridge3_007360 Cc1nnc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 O13 compound treatment 0.245 -0.00197 -0.1 0.256 0.0148 0.76 0.4715 0.6125 2079438 Maybridge3_007361 O=C(CSc1nnc(Cc2ccsc2)o1)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 O14 compound treatment 0.261 0.014 0.69 0.27 0.0288 1.48 1.5383 0.9395 2079439 Maybridge3_007362 CSc1nn(CSc2c(Cl)cccc2Cl)c(=S)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 O15 compound treatment 0.242 -0.00497 -0.24 0.242 8.33E-4 0.04 -0.1426 -0.5743 2079440 Maybridge3_007363 CCOC(=O)CSc1nc2cc(Cl)ccc2n1C(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 O16 compound treatment 0.257 0.01 0.49 0.265 0.0238 1.23 1.217 0.9201 1125675 Maybridge3_007364 O=C(C1CC1)n2nccc2c3csc(n3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 O17 compound treatment 0.288 0.041 2.02 0.334 0.0928 4.78 4.8084 0.9267 2079441 Maybridge3_007365 Cc1nc(sc1c2ccnc(C)n2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 O18 compound treatment 0.25 0.00303 0.15 0.252 0.0108 0.56 0.5 0.866 1320064 Maybridge3_007366 COc1nc(N)nc(n1)c2csc(C)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 O19 compound treatment 0.254 0.00703 0.35 0.25 0.00883 0.45 0.5665 0.991 1173791 Maybridge3_007367 CCOC(=O)c1sc(nc1CSc2nccn2C)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 O20 compound treatment 0.246 -9.67E-4 -0.05 0.245 0.00383 0.2 0.1059 0.5215 2079442 Maybridge3_007368 Cc1ccc(OC(=O)c2ccno2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 O21 compound treatment 0.252 0.00503 0.25 0.245 0.00383 0.2 0.3148 0.9936 2079443 Maybridge3_007369 Cc1cc(no1)c2nnc(o2)c3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 O22 compound treatment 0.247 3.33E-5 0.0 0.246 0.00483 0.25 0.1771 0.7118 2079444 Maybridge3_007370 FC(F)(F)c1ccc(nc1)S(=O)Cc2c(Cl)cccc2Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 O23 mock treatment 0.252 0.00503 0.25 0.248 0.00683 0.35 0.424 0.9853 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 O24 mock treatment 0.247 3.33E-5 0.0 0.232 -0.00917 -0.47 -0.3325 -0.7046 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 P01 compound treatment 0.19 -0.057 -2.81 0.187 -0.0542 -2.79 -3.9558 -1.0 2079445 Maybridge3_007371 Fc1ccc(SC(=O)Cn2nnc(n2)c3ccc(cc3)C(F)(F)F)c(F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 P02 compound treatment 0.217 -0.03 -1.48 0.214 -0.0272 -1.4 -2.0326 -0.9996 2079446 Maybridge3_007372 Clc1ccc(NC(=O)CSc2nccc(n2)c3cc(no3)c4ccccc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 P03 compound treatment 0.234 -0.013 -0.64 0.257 0.0158 0.82 0.1248 0.1205 1184483 Maybridge3_007373 CN(C)C(=O)Oc1nc(nc(C)c1Oc2ccc(C)cc2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 P04 compound treatment 0.242 -0.00497 -0.24 0.243 0.00183 0.09 -0.1062 -0.4052 2079447 Maybridge3_007374 Cc1onc(c1c2ccnc(C)n2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 P05 compound treatment 0.239 -0.00797 -0.39 0.248 0.00683 0.35 -0.0287 -0.0545 2079448 Maybridge3_007375 CCOC(=O)c1cc(C#N)c(SC)nc1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 P06 compound treatment 0.241 -0.00597 -0.29 0.245 0.00383 0.2 -0.0683 -0.1928 1625291 Maybridge3_007376 Cc1nn(C(=O)C2CC2)c(C)c1Oc3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 P07 compound treatment 0.242 -0.00497 -0.24 0.243 0.00183 0.09 -0.1062 -0.4052 2079449 Maybridge3_007377 COc1ccc(OC/C(=N/O)/N)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 P08 compound treatment 0.24 -0.00697 -0.34 0.244 0.00283 0.15 -0.1395 -0.3741 2079450 Maybridge3_007378 Cc1c(sc2nc(nn12)c3ccc(Cl)cc3)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 P09 compound treatment 0.246 -9.67E-4 -0.05 0.25 0.00883 0.45 0.2879 0.6296 2079451 Maybridge3_007379 COC(OC)c1ccc(C#N)c(SCc2ccccc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 P10 compound treatment 0.246 -9.67E-4 -0.05 0.246 0.00483 0.25 0.1423 0.5616 1253523 Maybridge3_007380 Cc1noc(N)c1c2nc(cs2)c3ccc(Cl)cc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 P11 compound treatment 0.232 -0.015 -0.74 0.241 -1.67E-4 -0.01 -0.5273 -0.7153 2079452 Maybridge3_007381 Cc1nn(C(=O)c2ccc(C)cc2)c(C)c1Sc3ncccn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 P12 compound treatment 0.241 -0.00597 -0.29 0.245 0.00383 0.2 -0.0683 -0.1928 2079453 Maybridge3_007382 N/C(=N\O)/c1cc(Cl)cc(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 P13 compound treatment 0.233 -0.014 -0.69 0.235 -0.00617 -0.32 -0.7109 -0.9383 2079454 Maybridge3_007383 Cc1noc(C)c1C(=O)Sc2ccc(cn2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 P14 compound treatment 0.25 0.00303 0.15 0.221 -0.0202 -1.04 -0.6285 -0.5992 2079455 Maybridge3_007384 COC(OC)c1nc(SCc2ccc(Cl)cc2)ncc1C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 P15 compound treatment 0.247 3.33E-5 0.0 0.22 -0.0212 -1.09 -0.7694 -0.706 2079456 Maybridge3_007385 COc1cc(C)nc(n1)c2csc(C)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 P16 compound treatment 0.237 -0.00997 -0.49 0.23 -0.0112 -0.57 -0.7536 -0.9969 2079457 Maybridge3_007386 COC(OC)c1cc(O)nc(SCC(=O)c2ccc(C)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 P17 compound treatment 0.231 -0.016 -0.79 0.23 -0.0112 -0.57 -0.9626 -0.9881 2079458 Maybridge3_007387 CCOC(=O)c1nc(C)sc1c2cc[nH]n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 P18 compound treatment 0.192 -0.055 -2.71 0.199 -0.0422 -2.17 -3.4493 -0.994 2079459 Maybridge3_007388 CCOC(=O)c1cnc(nc1O)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 P19 compound treatment 0.279 0.032 1.58 0.274 0.0328 1.69 2.3108 0.9994 2079460 Maybridge3_007389 Cc1cc(n[nH]1)C(F)(F)Sc2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 P20 compound treatment 0.221 -0.026 -1.28 0.224 -0.0172 -0.88 -1.5292 -0.9837 2079461 Maybridge3_007390 CCC(=O)Nc1ccc(OCc2ncc(cc2Cl)C(F)(F)F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 P21 compound treatment 0.232 -0.015 -0.74 0.243 0.00183 0.09 -0.4545 -0.6116 2079462 Maybridge3_007391 COC(Cn1c(SCC=C)nnc1c2ccc(Cl)cc2)OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 P22 compound treatment 0.226 -0.021 -1.03 0.228 -0.0132 -0.68 -1.2095 -0.9792 2079463 Maybridge3_007392 Cc1c(Sc2ccc(Cl)cc2)cnn1CCC#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 P23 mock treatment 0.239 -0.00797 -0.39 0.216 -0.0252 -1.3 -1.1936 -0.8817 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1451 P24 mock treatment 0.213 -0.034 -1.67 0.199 -0.0422 -2.17 -2.7179 -0.9917 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 A01 compound treatment 0.192 -0.0573 -2.82 0.202 -0.0493 -2.54 -3.7887 -0.9986 2079464 Maybridge3_007393 Cc1ccc(SCC(=N)N)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 A02 compound treatment 0.236 -0.0133 -0.66 0.208 -0.0433 -2.23 -2.0379 -0.878 2079465 Maybridge3_007394 FC(F)(F)COc1ccc(cn1)C(=O)NC(=N)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 A03 compound treatment 0.212 -0.0373 -1.84 0.212 -0.0393 -2.02 -2.7281 -0.9989 1583520 Maybridge3_007395 CN(CCO)c1ccc(C#N)cn1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 A04 compound treatment 0.228 -0.0213 -1.05 0.23 -0.0213 -1.09 -1.5156 -0.9998 1492778 Maybridge3_007396 Clc1cccc(Cl)c1SC(=O)N2CCOCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 A05 compound treatment 0.239 -0.0103 -0.51 0.247 -0.00425 -0.22 -0.5137 -0.9293 2079466 Maybridge3_007397 COC(=O)c1c(C)nn(C(=O)C)c1COc2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 A06 compound treatment 0.214 -0.0353 -1.74 0.214 -0.0373 -1.92 -2.5857 -0.9988 2079467 Maybridge3_007398 Oc1nnc(SCC(=O)N2CCC(CC2)C(F)(F)F)n1c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 A07 compound treatment 0.222 -0.0273 -1.34 0.214 -0.0373 -1.92 -2.307 -0.9849 2079468 Maybridge3_007399 CCOC(=O)c1cc(C)nc(Sc2ccc(Cl)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 A08 compound treatment 0.233 -0.0163 -0.8 0.223 -0.0283 -1.45 -1.5963 -0.9608 1610414 Maybridge3_007400 CC(C)(C)c1ccc(NC(=O)CSc2nnc(s2)c3cnccn3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 A09 compound treatment 0.237 -0.0123 -0.61 0.228 -0.0233 -1.2 -1.275 -0.9503 2079469 Maybridge3_007401 COC(=O)c1cc(C)nc(Sc2ccccc2NC(=O)c3ccccc3)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 A10 compound treatment 0.242 -0.00731 -0.36 0.233 -0.0183 -0.94 -0.9189 -0.9132 2079470 Maybridge3_007402 Cn1c(SCc2cc(=O)oc3cc(O)ccc23)nnc1C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 A11 compound treatment 0.239 -0.0103 -0.51 0.228 -0.0233 -1.2 -1.2054 -0.927 2079471 Maybridge3_007403 CC(=O)Nc1ccc(OC(=O)c2cccc(n2)C(F)(F)F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 A12 compound treatment 0.249 -3.06E-4 -0.02 0.257 0.00575 0.3 0.1986 0.6702 2079472 Maybridge3_007404 N/C(=N\O)/Cc1ccc(Oc2c(Cl)cncc2Cl)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 A13 compound treatment 0.242 -0.00731 -0.36 0.236 -0.0153 -0.79 -0.8097 -0.9374 2079473 Maybridge3_007405 FC(F)(F)c1ccc(nc1)C(=N)NC(=O)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 A14 compound treatment 0.246 -0.00331 -0.16 0.233 -0.0183 -0.94 -0.7796 -0.8175 2079474 Maybridge3_007406 Cn1nc(cc1C(=O)Sc2ccccc2)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 A15 compound treatment 0.238 -0.0113 -0.56 0.408 0.157 8.07 5.3123 0.6567 2079475 Maybridge3_007407 Clc1cc(Cl)cc(c1)C(=N)NC(=O)CCn2c(=O)oc3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 A16 compound treatment 0.238 -0.0113 -0.56 0.219 -0.0323 -1.66 -1.5678 -0.8952 2079476 Maybridge3_007408 CC1=N/C(=C\c2ccc3ccccc3c2)/C(=O)O1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 A17 compound treatment 0.227 -0.0223 -1.1 0.228 -0.0233 -1.2 -1.6233 -0.9991 1640008 Maybridge3_007409 CS(=O)(=O)N1CCN(CC1)c2c(Cl)cncc2Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 A18 compound treatment 0.227 -0.0223 -1.1 0.215 -0.0363 -1.87 -2.0965 -0.9681 2079477 Maybridge3_007410 CC(=O)N/C(=C\c1ccc(NC(=O)C)cc1)/C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 A19 compound treatment 0.211 -0.0383 -1.89 0.215 -0.0363 -1.87 -2.6537 -1.0 2079478 Maybridge3_007411 Cc1ccc(CSc2nnc(s2)c3ccc(cn3)C(F)(F)F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 A20 compound treatment 0.214 -0.0353 -1.74 0.213 -0.0383 -1.97 -2.6221 -0.9981 2079479 Maybridge3_007412 COc1cc(/C=C(\NC(=O)C)/C(=O)O)ccc1OCc2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 A21 compound treatment 0.212 -0.0373 -1.84 0.196 -0.0553 -2.84 -3.3106 -0.9776 2079480 Maybridge3_007413 CSC1=NNC(S1)c2nn(C)cc2Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 A22 compound treatment 0.208 -0.0413 -2.03 0.192 -0.0593 -3.05 -3.5955 -0.9806 2079481 Maybridge3_007414 COc1ccc(CC(NC(=O)C)C(=O)O)c(Cl)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 A23 mock treatment 0.215 -0.0343 -1.69 0.199 -0.0523 -2.69 -3.0969 -0.9749 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 A24 mock treatment 0.168 -0.0813 -4.0 0.165 -0.0863 -4.44 -5.9714 -0.9987 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 B01 compound treatment 0.212 -0.0373 -1.84 0.221 -0.0303 -1.56 -2.4005 -0.9966 2079482 Maybridge3_007415 CC(C)(C)c1ccc(cc1)c2nnc(SCC(=O)c3ccccc3)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 B02 mock treatment 0.248 -0.00131 -0.06 0.26 0.00875 0.45 0.273 0.6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 B03 compound treatment 0.249 -3.06E-4 -0.02 0.265 0.0137 0.71 0.4898 0.6919 1168360 Maybridge3_007416 Fc1ccc(C(=O)N2CCN(CC2)c3nc(ns3)c4cccs4)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 B04 mock treatment 0.249 -3.06E-4 -0.02 0.253 0.00175 0.09 0.053 0.5806 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 B05 compound treatment 0.262 0.0127 0.63 0.265 0.0137 0.71 0.9426 0.9981 1296150 Maybridge3_007417 COc1ccc(NC(=O)c2cccs2)cn1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 B06 mock treatment 0.254 0.00469 0.23 0.259 0.00775 0.4 0.4455 0.9664 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 B07 compound treatment 0.255 0.00569 0.28 0.261 0.00975 0.5 0.5532 0.9622 1299827 Maybridge3_007418 CN1CCN(CC1)c2ccc(NC(=O)c3ccccc3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 B08 mock treatment 0.263 0.0137 0.67 0.267 0.0157 0.81 1.0502 0.9958 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 B09 compound treatment 0.259 0.00969 0.48 0.266 0.0147 0.76 0.8745 0.975 1308684 Maybridge3_007419 CC(=O)Nc1cccc(c1)C(=O)NC2CCN(Cc3c(F)cccc3Cl)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 B10 mock treatment 0.254 0.00469 0.23 0.258 0.00675 0.35 0.4091 0.9804 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 B11 compound treatment 0.256 0.00669 0.33 0.257 0.00575 0.3 0.4424 0.9985 2079483 Maybridge3_007420 CNc1nc2cccnc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 B12 mock treatment 0.263 0.0137 0.67 0.258 0.00675 0.35 0.7226 0.9524 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 B13 compound treatment 0.257 0.00769 0.38 0.265 0.0137 0.71 0.7684 0.9571 2079484 Maybridge3_007421 CC(C)(C)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 B14 mock treatment 0.253 0.00369 0.18 0.26 0.00875 0.45 0.4471 0.9205 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 B15 compound treatment 0.255 0.00569 0.28 0.261 0.00975 0.5 0.5532 0.9622 2079485 Maybridge3_007422 CC(=O)Nc1ccc(Br)cc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 B16 mock treatment 0.261 0.0117 0.58 0.266 0.0147 0.76 0.9441 0.9907 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 B17 compound treatment 0.266 0.0167 0.82 0.266 0.0147 0.76 1.1183 0.9992 2079486 Maybridge3_007423 CCOc1ccc(cc1)C(=O)/C=C/C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 B18 mock treatment 0.259 0.00969 0.48 0.259 0.00775 0.4 0.6197 0.996 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 B19 mock treatment 0.257 0.00769 0.38 0.259 0.00775 0.4 0.55 0.9997 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 B20 mock treatment 0.255 0.00569 0.28 0.255 0.00375 0.19 0.3347 0.9833 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 B21 mock treatment 0.255 0.00569 0.28 0.255 0.00375 0.19 0.3347 0.9833 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 B22 mock treatment 0.25 6.94E-4 0.03 0.252 7.48E-4 0.04 0.0514 0.9982 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 B23 mock treatment 0.252 0.00269 0.13 0.255 0.00375 0.19 0.2303 0.9833 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 B24 mock treatment 0.222 -0.0273 -1.34 0.2 -0.0513 -2.64 -2.8167 -0.9511 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 C01 compound treatment 0.213 -0.0363 -1.79 0.231 -0.0203 -1.04 -2.0016 -0.967 2079487 Maybridge3_007424 CSc1nc(N)nc(CSc2ccccc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 C02 compound treatment 0.243 -0.00631 -0.31 0.245 -0.00625 -0.32 -0.4472 -0.9998 1485294 Maybridge3_007425 CSc1nc2CCCCc2c(c3cccs3)c1C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 C03 compound treatment 0.243 -0.00631 -0.31 0.247 -0.00425 -0.22 -0.3744 -0.9853 2079488 Maybridge3_007426 Oc1nnc(SCc2ncc(cc2Cl)C(F)(F)F)n1c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 C04 compound treatment 0.243 -0.00631 -0.31 0.254 0.00275 0.14 -0.1196 -0.3504 2079489 Maybridge3_007427 CCOC(=O)c1nc(C)nc(Sc2ccccc2)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 C05 compound treatment 0.255 0.00569 0.28 0.262 0.0107 0.55 0.5896 0.9504 2079490 Maybridge3_007428 Nc1c(cnn1c2ncc(cc2Cl)C(F)(F)F)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 C06 compound treatment 0.254 0.00469 0.23 0.256 0.00475 0.24 0.3363 0.9996 2079491 Maybridge3_007429 c1ncn(n1)c2ccc(cn2)c3nc(cs3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 C07 compound treatment 0.242 -0.00731 -0.36 0.254 0.00275 0.14 -0.1544 -0.3993 2079492 Maybridge3_007430 CSc1nnc(c2cc(C)on2)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 C08 compound treatment 0.254 0.00469 0.23 0.266 0.0147 0.76 0.7003 0.8824 1018221 Maybridge3_007431 CCOC(=O)c1cnc(O)cc1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 C09 compound treatment 0.246 -0.00331 -0.16 0.259 0.00775 0.4 0.1669 0.3874 1205106 Maybridge3_007432 CCOC(=O)c1cc(C)nc(Sc2ccccc2NC(=O)c3ccccc3)c1C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 C10 compound treatment 0.256 0.00669 0.33 0.263 0.0117 0.6 0.6608 0.9593 1020096 Maybridge3_007433 OC(=O)c1cnc(O)cc1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 C11 compound treatment 0.252 0.00269 0.13 0.26 0.00875 0.45 0.4123 0.8781 2079493 Maybridge3_007434 Cc1nc(nc(Sc2nnc([nH]2)c3ccccc3)c1C)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 C12 compound treatment 0.256 0.00669 0.33 0.261 0.00975 0.5 0.588 0.9792 1312476 Maybridge3_007435 Clc1ccc2nc(sc2c1)N3CCN(CC#N)CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 C13 compound treatment 0.244 -0.00531 -0.26 0.256 0.00475 0.24 -0.0119 -0.0334 2079494 Maybridge3_007436 Cn1nc(cc1C(=O)N2CCC(CC2)C(F)(F)F)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 C14 compound treatment 0.246 -0.00331 -0.16 0.255 0.00375 0.19 0.0213 0.0844 2079495 Maybridge3_007437 Cc1c(C#N)c(Sc2ccccc2)nc3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 C15 compound treatment 0.245 -0.00431 -0.21 0.254 0.00275 0.14 -0.0499 -0.1958 2079496 Maybridge3_007438 N#Cc1ccc(nc1)N2CCNCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 C16 compound treatment 0.28 0.0307 1.51 0.283 0.0317 1.63 2.2247 0.9992 2079497 Maybridge3_007439 CC1=N/C(=C\c2cccs2)/C(=O)O1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 C17 compound treatment 0.254 0.00469 0.23 0.258 0.00675 0.35 0.4091 0.9804 2079498 Maybridge3_007440 CSc1nc(N)n(n1)c2ncc(cc2Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 C18 compound treatment 0.254 0.00469 0.23 0.26 0.00875 0.45 0.4819 0.952 2079499 Maybridge3_007441 COc1ccc(/C=C(\NC(=O)C)/C(=O)O)c(Cl)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 C19 compound treatment 0.244 -0.00531 -0.26 0.248 -0.00325 -0.17 -0.3032 -0.9768 2079500 Maybridge3_007442 FC(F)(F)c1ccc(nc1)c2nnc(SCC(=O)c3ccccc3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 C20 compound treatment 0.241 -0.00831 -0.41 0.244 -0.00725 -0.37 -0.5533 -0.999 2079501 Maybridge3_007443 COc1c(CC(NC(=O)C)C(=O)O)cccc1OCC2CCCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 C21 compound treatment 0.32 0.0707 3.48 0.322 0.0707 3.64 5.0375 0.9997 2079502 Maybridge3_007444 Clc1ccc(cc1)C(=O)NC(=N)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 C22 compound treatment 0.242 -0.00731 -0.36 0.236 -0.0153 -0.79 -0.8097 -0.9374 2079503 Maybridge3_007445 CC(=O)NC(Cc1ccc(C)c(C)c1)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 C23 mock treatment 0.24 -0.00931 -0.46 0.245 -0.00625 -0.32 -0.5517 -0.985 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 C24 mock treatment 0.213 -0.0363 -1.79 0.211 -0.0403 -2.07 -2.7297 -0.9973 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 D01 compound treatment 0.223 -0.0263 -1.3 0.225 -0.0263 -1.35 -1.8718 -0.9998 2079504 Maybridge3_007446 Cc1cc(nn1C(C)(C)C)C(=O)Nc2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 D02 mock treatment 0.247 -0.00231 -0.11 0.249 -0.00225 -0.12 -0.1623 -0.9999 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 D03 compound treatment 0.257 0.00769 0.38 0.255 0.00375 0.19 0.4044 0.951 1500332 Maybridge3_007447 O=C(N1CCN(CC1)c2ccc(C#N)cc2)c3ccco3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 D04 mock treatment 0.254 0.00469 0.23 0.252 7.48E-4 0.04 0.1907 0.8137 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 D05 compound treatment 0.255 0.00569 0.28 0.258 0.00675 0.35 0.444 0.9944 1465476 Maybridge3_007448 Cc1cc(no1)C(=O)NCCN2CCCCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 D06 mock treatment 0.247 -0.00231 -0.11 0.25 -0.00125 -0.06 -0.1259 -0.964 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 D07 compound treatment 0.264 0.0147 0.72 0.27 0.0187 0.97 1.1942 0.9899 1532915 Maybridge3_007449 CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 D08 mock treatment 0.26 0.0107 0.53 0.261 0.00975 0.5 0.7273 0.9997 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 D09 compound treatment 0.26 0.0107 0.53 0.263 0.0117 0.6 0.8001 0.9976 1399292 Maybridge3_007450 CN(CCO)c1nc2cc(Cl)ccc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 D10 mock treatment 0.253 0.00369 0.18 0.253 0.00175 0.09 0.1923 0.9473 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 D11 compound treatment 0.255 0.00569 0.28 0.264 0.0127 0.66 0.6624 0.9281 1671504 Maybridge3_007451 CCNc1nc2cccnc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 D12 mock treatment 0.254 0.00469 0.23 0.258 0.00675 0.35 0.4091 0.9804 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 D13 compound treatment 0.25 6.94E-4 0.03 0.265 0.0137 0.71 0.5246 0.7404 2079505 Maybridge3_007452 OC(=O)c1c(F)cccc1I 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 D14 mock treatment 0.253 0.00369 0.18 0.257 0.00575 0.3 0.3379 0.9727 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 D15 compound treatment 0.25 6.94E-4 0.03 0.256 0.00475 0.24 0.197 0.7982 2079506 Maybridge3_007453 CN(C(=O)C)c1ccc(Cl)cc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 D16 mock treatment 0.259 0.00969 0.48 0.263 0.0117 0.6 0.7653 0.9931 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 D17 compound treatment 0.256 0.00669 0.33 0.258 0.00675 0.35 0.4788 0.9997 1549638 Maybridge3_007454 CC(C)(C)c1ccc(NC(=O)CSc2ccccn2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 D18 mock treatment 0.259 0.00969 0.48 0.259 0.00775 0.4 0.6197 0.996 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 D19 mock treatment 0.255 0.00569 0.28 0.257 0.00575 0.3 0.4076 0.9996 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 D20 mock treatment 0.251 0.00169 0.08 0.258 0.00675 0.35 0.3046 0.8527 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 D21 mock treatment 0.256 0.00669 0.33 0.252 7.48E-4 0.04 0.2604 0.7844 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 D22 mock treatment 0.248 -0.00131 -0.06 0.254 0.00275 0.14 0.0546 0.351 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 D23 mock treatment 0.251 0.00169 0.08 0.25 -0.00125 -0.06 0.0134 0.1273 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 D24 mock treatment 0.228 -0.0213 -1.05 0.211 -0.0403 -2.07 -2.2073 -0.9503 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 E01 compound treatment 0.239 -0.0103 -0.51 0.246 -0.00525 -0.27 -0.5501 -0.9565 2079507 Maybridge3_007455 Cc1nc(N)nc(CSc2ccc(Cl)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 E02 compound treatment 0.252 0.00269 0.13 0.251 -2.52E-4 -0.01 0.0847 0.635 2079508 Maybridge3_007456 COC(=O)c1sccc1OCc2nnc(o2)c3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 E03 compound treatment 0.25 6.94E-4 0.03 0.253 0.00175 0.09 0.0878 0.9121 1640995 Maybridge3_007457 CN(CCOC(=O)c1c(F)cccc1Cl)c2ccc(C#N)cn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 E04 compound treatment 0.248 -0.00131 -0.06 0.253 0.00175 0.09 0.0182 0.1641 1544150 Maybridge3_007458 CCOC(=O)c1nc(COc2ccccc2Cl)[nH]c(=O)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 E05 compound treatment 0.253 0.00369 0.18 0.253 0.00175 0.09 0.1923 0.9473 1510566 Maybridge3_007459 Nc1nnc(SC2c3ccccc3-c4ccccc24)[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 E06 compound treatment 0.254 0.00469 0.23 0.267 0.0157 0.81 0.7367 0.8739 2079509 Maybridge3_007460 FC(F)(F)c1cccc(c1)c2csc(n2)c3ccc(nc3)n4cncn4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 E07 compound treatment 0.249 -3.06E-4 -0.02 0.253 0.00175 0.09 0.053 0.5806 2079510 Maybridge3_007461 Nc1ccccc1SCc2ncc(cc2Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 E08 compound treatment 0.26 0.0107 0.53 0.271 0.0197 1.02 1.0913 0.9531 2079511 Maybridge3_007462 Cc1nc(c(s1)C(=O)Sc2ccccc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 E09 compound treatment 0.269 0.0197 0.97 0.279 0.0277 1.43 1.696 0.9822 2079512 Maybridge3_007463 COc1ccc(cc1)C(=O)NC(=N)COc2ccccc2Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 E10 compound treatment 0.28 0.0307 1.51 0.284 0.0327 1.69 2.2611 0.9985 1288279 Maybridge3_007464 CSc1nnc(SCc2cc(=O)oc3cc(O)ccc23)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 E11 compound treatment 0.251 0.00169 0.08 0.254 0.00275 0.14 0.159 0.9683 2079513 Maybridge3_007465 Cc1nc(cs1)C(=N)NC(=O)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 E12 compound treatment 0.26 0.0107 0.53 0.263 0.0117 0.6 0.8001 0.9976 2079514 Maybridge3_007466 Cc1cccc(c1)/C(=N/O)/N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 E13 compound treatment 0.286 0.0367 1.81 0.265 0.0137 0.71 1.7784 0.9163 2079515 Maybridge3_007467 Cc1onc(c1C(=O)NCCOc2ccccc2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 E14 compound treatment 0.248 -0.00131 -0.06 0.252 7.48E-4 0.04 -0.0183 -0.2434 2079516 Maybridge3_007468 Cc1c(C#N)c(Sc2ccccc2N)nc3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 E15 compound treatment 0.253 0.00369 0.18 0.259 0.00775 0.4 0.4107 0.9368 1605818 Maybridge3_007469 CS(=O)(=O)N1CCN(CC1)c2ccc(C#N)cn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 E16 compound treatment 0.259 0.00969 0.48 0.256 0.00475 0.24 0.5105 0.9516 2079517 Maybridge3_007470 CC1=N/C(=C\C=C\c2ccccc2)/C(=O)O1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 E17 compound treatment 0.253 0.00369 0.18 0.259 0.00775 0.4 0.4107 0.9368 1234727 Maybridge3_007471 Clc1cncc(Cl)c1Sc2ccccc2NC(=O)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 E18 compound treatment 0.259 0.00969 0.48 0.273 0.0217 1.12 1.1293 0.9278 2079518 Maybridge3_007472 CC(=O)N/C(=C\c1ccc(OC(F)(F)F)cc1)/C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 E19 compound treatment 0.256 0.00669 0.33 0.257 0.00575 0.3 0.4424 0.9985 2079519 Maybridge3_007473 Cc1nnc(nc1C)c2ccc(cn2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 E20 compound treatment 0.255 0.00569 0.28 0.258 0.00675 0.35 0.444 0.9944 2079520 Maybridge3_007474 Cc1c(CC(N)C(=O)O)sc2ccccc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 E21 compound treatment 0.292 0.0427 2.1 0.299 0.0477 2.46 3.2251 0.997 2079521 Maybridge3_007475 FC(F)(F)c1cccc(c1)C(=O)NC(=N)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 E22 compound treatment 0.253 0.00369 0.18 0.258 0.00675 0.35 0.3743 0.9545 1615443 Maybridge3_007476 O=S(=O)(N1CCCN(CC1)c2ccc(C#N)cn2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 E23 mock treatment 0.249 -3.06E-4 -0.02 0.249 -0.00225 -0.12 -0.0926 -0.7924 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 E24 mock treatment 0.243 -0.00631 -0.31 0.244 -0.00725 -0.37 -0.4836 -0.9958 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 F01 compound treatment 0.231 -0.0183 -0.9 0.245 -0.00625 -0.32 -0.8651 -0.9037 2079522 Maybridge3_007477 Cn1c(SCC(=O)c2ccc3OCCOc3c2)nnc1C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 F02 mock treatment 0.251 0.00169 0.08 0.251 -2.52E-4 -0.01 0.0498 0.5901 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 F03 compound treatment 0.259 0.00969 0.48 0.266 0.0147 0.76 0.8745 0.975 1413994 Maybridge3_007478 O=C(N1CCN(CC1)c2nc(ns2)c3cccs3)c4ccco4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 F04 mock treatment 0.257 0.00769 0.38 0.26 0.00875 0.45 0.5864 0.9963 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 F05 compound treatment 0.252 0.00269 0.13 0.261 0.00975 0.5 0.4487 0.8644 1359456 Maybridge3_007479 O=C(CCn1c(=O)oc2ccccc12)NCCN3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 F06 mock treatment 0.257 0.00769 0.38 0.261 0.00975 0.5 0.6228 0.9904 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 F07 compound treatment 0.266 0.0167 0.82 0.276 0.0247 1.27 1.4823 0.9776 1715583 Maybridge3_007480 O=S(=O)(Nc1ccc(cc1)N2CCN(Cc3ccccc3)CC2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 F08 mock treatment 0.261 0.0117 0.58 0.274 0.0227 1.17 1.2354 0.9466 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 F09 compound treatment 0.262 0.0127 0.63 0.265 0.0137 0.71 0.9426 0.9981 2079523 Maybridge3_007481 CSc1ncc(c2ccc(Cl)cc2)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 F10 mock treatment 0.256 0.00669 0.33 0.267 0.0157 0.81 0.8064 0.9214 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 F11 compound treatment 0.258 0.00869 0.43 0.262 0.0107 0.55 0.694 0.992 1730054 Maybridge3_007482 CC(C)Nc1nc2cccnc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 F12 mock treatment 0.26 0.0107 0.53 0.265 0.0137 0.71 0.8729 0.9894 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 F13 compound treatment 0.314 0.0647 3.19 0.313 0.0617 3.18 4.5009 1.0 2079524 Maybridge3_007483 COC(=O)Nc1ccc(SC(F)(F)F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 F14 mock treatment 0.262 0.0127 0.63 0.262 0.0107 0.55 0.8334 0.9981 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 F15 compound treatment 0.259 0.00969 0.48 0.261 0.00975 0.5 0.6925 0.9997 2079525 Maybridge3_007484 CN(C(=O)C)c1ccc(F)cc1F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 F16 mock treatment 0.264 0.0147 0.72 0.263 0.0117 0.6 0.9394 0.996 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 F17 compound treatment 0.278 0.0287 1.41 0.281 0.0297 1.53 2.0822 0.9992 2079526 Maybridge3_007485 Cc1ccc(CSc2nnc(N/C=N/O)s2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 F18 mock treatment 0.27 0.0207 1.02 0.262 0.0107 0.55 1.112 0.9588 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 F19 mock treatment 0.254 0.00469 0.23 0.263 0.0117 0.6 0.5911 0.913 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 F20 mock treatment 0.259 0.00969 0.48 0.256 0.00475 0.24 0.5105 0.9516 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 F21 mock treatment 0.259 0.00969 0.48 0.256 0.00475 0.24 0.5105 0.9516 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 F22 mock treatment 0.257 0.00769 0.38 0.252 7.48E-4 0.04 0.2952 0.775 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 F23 mock treatment 0.252 0.00269 0.13 0.258 0.00675 0.35 0.3395 0.9129 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 F24 mock treatment 0.245 -0.00431 -0.21 0.232 -0.0193 -0.99 -0.8508 -0.8394 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 G01 compound treatment 0.233 -0.0163 -0.8 0.238 -0.0133 -0.68 -1.0503 -0.9967 2079527 Maybridge3_007486 Cc1cc(no1)c2nc(COc3ccc(Cl)cc3Cl)no2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 G02 compound treatment 0.25 6.94E-4 0.03 0.249 -0.00225 -0.12 -0.0578 -0.4783 2079528 Maybridge3_007487 N/C(=N\O)/c1ccc(Oc2c(Cl)cncc2Cl)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 G03 compound treatment 0.249 -3.06E-4 -0.02 0.251 -2.52E-4 -0.01 -0.0198 -0.9972 1227344 Maybridge3_007488 CN(CCOC(=O)c1cc(Cl)cc(Cl)c1)c2ccc(C#N)cn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 G04 compound treatment 0.243 -0.00631 -0.31 0.252 7.48E-4 0.04 -0.1924 -0.6147 2079529 Maybridge3_007489 FC(F)(F)C1CCN(CC1)C(=O)CSc2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 G05 compound treatment 0.253 0.00369 0.18 0.258 0.00675 0.35 0.3743 0.9545 2079530 Maybridge3_007490 FC(F)(F)c1cnc(COc2ccc(CC#N)cc2)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 G06 compound treatment 0.268 0.0187 0.92 0.263 0.0117 0.6 1.0787 0.9792 2079531 Maybridge3_007491 CC(C)(C)c1csc(n1)c2ccc(nc2)n3cncn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 G07 compound treatment 0.253 0.00369 0.18 0.258 0.00675 0.35 0.3743 0.9545 2079532 Maybridge3_007492 COc1nccc(c1C(=O)N)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 G08 compound treatment 0.256 0.00669 0.33 0.265 0.0137 0.71 0.7336 0.9396 2079533 Maybridge3_007493 Cc1ccc(cc1F)C(=N)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 G09 compound treatment 0.247 -0.00231 -0.11 0.257 0.00575 0.3 0.1289 0.4068 2079534 Maybridge3_007494 CCOC(=O)c1cc(C#N)c(Sc2ccccc2)nc1C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 G10 compound treatment 0.289 0.0397 1.96 0.287 0.0357 1.84 2.6837 0.9995 1537904 Maybridge3_007495 Oc1ccc2c(CSc3nnc(SCC4CC4)s3)cc(=O)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 G11 compound treatment 0.275 0.0257 1.27 0.27 0.0187 0.97 1.5773 0.9911 2079535 Maybridge3_007496 CCOC(=O)c1cc(C#N)c(Sc2nnc(SCC3CC3)s2)nc1C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 G12 compound treatment 0.266 0.0167 0.82 0.264 0.0127 0.66 1.0455 0.9938 2079536 Maybridge3_007497 CCOC(=O)c1cc(C)nn1Cc2ccc(C)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 G13 compound treatment 0.256 0.00669 0.33 0.256 0.00475 0.24 0.406 0.9892 1580023 Maybridge3_007498 CC(C)(C)C(=O)OCc1nc(cs1)c2cc(no2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 G14 compound treatment 0.262 0.0127 0.63 0.265 0.0137 0.71 0.9426 0.9981 1312692 Maybridge3_007499 Cc1c(C#N)c(Sc2ccccc2NC(=O)c3ccco3)nc4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 G15 compound treatment 0.259 0.00969 0.48 0.256 0.00475 0.24 0.5105 0.9516 2079537 Maybridge3_007500 FC(F)(F)c1ccc(nc1)c2nnc(SCC(=O)Nc3ccccc3)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 G16 compound treatment 0.255 0.00569 0.28 0.255 0.00375 0.19 0.3347 0.9833 2079538 Maybridge3_007501 CC(=O)N/C(=C\C=C\c1ccccc1)/C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 G17 compound treatment 0.262 0.0127 0.63 0.267 0.0157 0.81 1.0154 0.9918 2079539 Maybridge3_007502 CNc1nc(ns1)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 G18 compound treatment 0.261 0.0117 0.58 0.26 0.00875 0.45 0.7257 0.9926 2079540 Maybridge3_007503 CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 G19 compound treatment 0.246 -0.00331 -0.16 0.251 -2.52E-4 -0.01 -0.1243 -0.761 2079541 Maybridge3_007504 NC(=O)CSc1nnc(s1)c2ccc(cn2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 G20 compound treatment 0.255 0.00569 0.28 0.247 -0.00425 -0.22 0.0435 0.1223 2079542 Maybridge3_007505 C(Sc1nncn1c2ccc3OCCOc3c2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 G21 compound treatment 0.251 0.00169 0.08 0.254 0.00275 0.14 0.159 0.9683 2079543 Maybridge3_007506 Cc1ccc(cc1)C(=O)NC(=N)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 G22 compound treatment 0.251 0.00169 0.08 0.243 -0.00825 -0.42 -0.2414 -0.5576 1729507 Maybridge3_007507 CC(C)(C)c1cc(c2nnc(o2)C3CC3)n(Cc4ccc(F)cc4)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 G23 mock treatment 0.252 0.00269 0.13 0.247 -0.00425 -0.22 -0.061 -0.2381 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 G24 mock treatment 0.243 -0.00631 -0.31 0.238 -0.0133 -0.68 -0.702 -0.9365 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 H01 compound treatment 0.237 -0.0123 -0.61 0.233 -0.0183 -0.94 -1.093 -0.9775 2079544 Maybridge3_007508 CSc1nnc(SCC(=O)c2ccc3OCCOc3c2)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 H02 mock treatment 0.252 0.00269 0.13 0.253 0.00175 0.09 0.1575 0.9821 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 H03 compound treatment 0.253 0.00369 0.18 0.257 0.00575 0.3 0.3379 0.9727 2079545 Maybridge3_007509 Clc1ccc(cc1)S(=O)(=O)N2CCN(CC2)c3nc(ns3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 H04 mock treatment 0.252 0.00269 0.13 0.254 0.00275 0.14 0.1939 0.9995 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 H05 compound treatment 0.256 0.00669 0.33 0.259 0.00775 0.4 0.5152 0.9955 2079546 Maybridge3_007510 COC(=O)CNC(=O)c1cc(C)on1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 H06 mock treatment 0.254 0.00469 0.23 0.254 0.00275 0.14 0.2635 0.9722 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 H07 compound treatment 0.258 0.00869 0.43 0.262 0.0107 0.55 0.694 0.992 1559290 Maybridge3_007511 CN1CCN(CC1)c2ccc(NC(=O)c3ccco3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 H08 mock treatment 0.26 0.0107 0.53 0.265 0.0137 0.71 0.8729 0.9894 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 H09 compound treatment 0.263 0.0137 0.67 0.27 0.0187 0.97 1.1594 0.9846 2079547 Maybridge3_007512 N#C/N=C(\Nc1ccccc1)/Oc2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 H10 mock treatment 0.256 0.00669 0.33 0.259 0.00775 0.4 0.5152 0.9955 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 H11 compound treatment 0.247 -0.00231 -0.11 0.249 -0.00225 -0.12 -0.1623 -0.9999 1145665 Maybridge3_007513 C(Nc1nc2cccnc2s1)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 H12 mock treatment 0.257 0.00769 0.38 0.25 -0.00125 -0.06 0.2224 0.5785 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 H13 compound treatment 0.265 0.0157 0.77 0.269 0.0177 0.91 1.1926 0.9965 2079548 Maybridge3_007514 CC(=O)Nc1ccc(OCc2ccc3ccccc3n2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 H14 mock treatment 0.255 0.00569 0.28 0.259 0.00775 0.4 0.4804 0.9851 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 H15 compound treatment 0.257 0.00769 0.38 0.264 0.0127 0.66 0.732 0.9659 1543399 Maybridge3_007515 CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 H16 mock treatment 0.257 0.00769 0.38 0.257 0.00575 0.3 0.4772 0.9925 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 H17 compound treatment 0.262 0.0127 0.63 0.261 0.00975 0.5 0.7969 0.9941 2079549 Maybridge3_007516 CCCSc1nnc(N/C=N/O)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 H18 mock treatment 0.251 0.00169 0.08 0.254 0.00275 0.14 0.159 0.9683 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 H19 mock treatment 0.253 0.00369 0.18 0.257 0.00575 0.3 0.3379 0.9727 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 H20 mock treatment 0.254 0.00469 0.23 0.256 0.00475 0.24 0.3363 0.9996 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 H21 mock treatment 0.255 0.00569 0.28 0.257 0.00575 0.3 0.4076 0.9996 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 H22 mock treatment 0.251 0.00169 0.08 0.254 0.00275 0.14 0.159 0.9683 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 H23 mock treatment 0.256 0.00669 0.33 0.252 7.48E-4 0.04 0.2604 0.7844 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 H24 mock treatment 0.246 -0.00331 -0.16 0.256 0.00475 0.24 0.0577 0.1965 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 I01 compound treatment 0.221 -0.0283 -1.39 0.222 -0.0293 -1.51 -2.0507 -0.9993 2079550 Maybridge3_007517 Cc1nn(CCC#N)c(C)c1Sc2ncccn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 I02 compound treatment 0.248 -0.00131 -0.06 0.25 -0.00125 -0.06 -0.0911 -1.0 2079551 Maybridge3_007518 FC(F)(F)c1ccncc1C(=O)NC(=N)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 I03 compound treatment 0.249 -3.06E-4 -0.02 0.254 0.00275 0.14 0.0894 0.6282 2079552 Maybridge3_007519 CN(CCOC(=O)c1ccc(OC(F)(F)F)cc1)c2ccc(C#N)cn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 I04 compound treatment 0.245 -0.00431 -0.21 0.252 7.48E-4 0.04 -0.1227 -0.5694 2079553 Maybridge3_007520 Cc1ccc(SCC(=O)N2CCC(CC2)C(F)(F)F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 I05 compound treatment 0.31 0.0607 2.99 0.299 0.0477 2.46 3.8519 0.9953 2079554 Maybridge3_007521 O/N=C/c1ncc(cc1Sc2ccc(Cl)cc2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 I06 compound treatment 0.257 0.00769 0.38 0.255 0.00375 0.19 0.4044 0.951 2079555 Maybridge3_007522 C(Sc1nnc(s1)c2cnccn2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 I07 compound treatment 0.255 0.00569 0.28 0.257 0.00575 0.3 0.4076 0.9996 1218253 Maybridge3_007523 COc1cc(ccn1)C(=O)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 I08 compound treatment 0.258 0.00869 0.43 0.264 0.0127 0.66 0.7668 0.9786 2079556 Maybridge3_007524 CCOC(=O)c1cnn(c2nc(cs2)c3ccccc3)c1C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 I09 compound treatment 0.302 0.0527 2.6 0.321 0.0697 3.59 4.3742 0.9873 2079557 Maybridge3_007525 CCOC(=O)c1cc(C#N)c(Nc2ccccc2)nc1C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 I10 compound treatment 0.26 0.0107 0.53 0.262 0.0107 0.55 0.7637 0.9997 2079558 Maybridge3_007526 Cc1cc(nn1C(C)(C)C)C(=O)Sc2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 I11 compound treatment 0.27 0.0207 1.02 0.274 0.0227 1.17 1.5488 0.9976 2079559 Maybridge3_007527 CCOC(=O)c1cc(C#N)c(Sc2nnc(SC)s2)nc1C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 I12 compound treatment 0.259 0.00969 0.48 0.255 0.00375 0.19 0.4741 0.9205 2079560 Maybridge3_007528 CCOC(=O)c1cc(C)n(Cc2cccc(c2)C(F)(F)F)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 I13 compound treatment 0.268 0.0187 0.92 0.265 0.0137 0.71 1.1515 0.9916 2079561 Maybridge3_007529 FC(F)(F)COc1ccc(cn1)c2nnc(SCc3ccccc3)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 I14 compound treatment 0.25 6.94E-4 0.03 0.253 0.00175 0.09 0.0878 0.9121 1137650 Maybridge3_007530 Cc1cc(nn1Cc2ccc(C)cc2)C(=O)Nc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 I15 compound treatment 0.254 0.00469 0.23 0.254 0.00275 0.14 0.2635 0.9722 2079562 Maybridge3_007531 CSc1nnc(o1)c2ccc(cn2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 I16 compound treatment 0.258 0.00869 0.43 0.252 7.48E-4 0.04 0.33 0.7676 2079563 Maybridge3_007532 CC(=O)N/C(=C\c1ccccc1Br)/C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 I17 compound treatment 0.268 0.0187 0.92 0.277 0.0257 1.33 1.5883 0.9841 2079564 Maybridge3_007533 Cc1ccc(Sc2nc(ns2)c3cccs3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 I18 compound treatment 0.256 0.00669 0.33 0.26 0.00875 0.45 0.5516 0.9882 2079565 Maybridge3_007534 CC(=O)N/C(=C\c1cc(F)cc(F)c1)/C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 I19 compound treatment 0.26 0.0107 0.53 0.262 0.0107 0.55 0.7637 0.9997 2079566 Maybridge3_007535 C(SC1=NNC(S1)c2ccccn2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 I20 compound treatment 0.253 0.00369 0.18 0.258 0.00675 0.35 0.3743 0.9545 2079567 Maybridge3_007536 CC(C)(C)NC(=O)C1CC2CCCCC2CN1C(=O)c3ccno3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 I21 compound treatment 0.255 0.00569 0.28 0.26 0.00875 0.45 0.5168 0.974 2079568 Maybridge3_007537 N=C(NC(=O)c1cccs1)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 I22 compound treatment 0.254 0.00469 0.23 0.254 0.00275 0.14 0.2635 0.9722 2079569 Maybridge3_007538 COc1ccc(CNC(CO)c2ccccc2)c(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 I23 mock treatment 0.252 0.00269 0.13 0.257 0.00575 0.3 0.3031 0.9345 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 I24 mock treatment 0.248 -0.00131 -0.06 0.257 0.00575 0.3 0.1638 0.5408 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 J01 compound treatment 0.212 -0.0373 -1.84 0.209 -0.0423 -2.18 -2.8373 -0.9965 2079570 Maybridge3_007539 Fc1ccc(SCC(=O)c2ccc3OCCOc3c2)cc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 J02 mock treatment 0.247 -0.00231 -0.11 0.244 -0.00725 -0.37 -0.3443 -0.8823 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 J03 compound treatment 0.249 -3.06E-4 -0.02 0.257 0.00575 0.3 0.1986 0.6702 1695625 Maybridge3_007540 COC(=O)CNC(=O)c1ccncc1Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 J04 mock treatment 0.251 0.00169 0.08 0.259 0.00775 0.4 0.341 0.8369 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 J05 compound treatment 0.25 6.94E-4 0.03 0.259 0.00775 0.4 0.3062 0.7649 2079571 Maybridge3_007541 CC(C)(C)OC(=O)N1Cc2ccccc2CC1C(=O)NCCN3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 J06 mock treatment 0.257 0.00769 0.38 0.261 0.00975 0.5 0.6228 0.9904 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 J07 compound treatment 0.254 0.00469 0.23 0.253 0.00175 0.09 0.2271 0.9154 1431177 Maybridge3_007542 CCc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)N3CCN(C)CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 J08 mock treatment 0.253 0.00369 0.18 0.255 0.00375 0.19 0.2651 0.9996 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 J09 compound treatment 0.256 0.00669 0.33 0.258 0.00675 0.35 0.4788 0.9997 2079572 Maybridge3_007543 COc1ccc(N/C(=N/C#N)/Oc2ccccc2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 J10 mock treatment 0.248 -0.00131 -0.06 0.249 -0.00225 -0.12 -0.1275 -0.9614 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 J11 compound treatment 0.267 0.0177 0.87 0.258 0.00675 0.35 0.8619 0.9187 1640360 Maybridge3_007544 CS(=O)(=O)c1ccc(cc1)C(=O)Nc2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 J12 mock treatment 0.24 -0.00931 -0.46 0.25 -0.00125 -0.06 -0.3697 -0.7987 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 J13 compound treatment 0.274 0.0247 1.22 0.259 0.00775 0.4 1.1421 0.8922 2079573 Maybridge3_007545 Nc1ccc(OCc2ccc3ccccc3n2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 J14 mock treatment 0.251 0.00169 0.08 0.247 -0.00425 -0.22 -0.0958 -0.4089 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 J15 compound treatment 0.251 0.00169 0.08 0.253 0.00175 0.09 0.1226 0.9993 2079574 Maybridge3_007546 Cc1nc(CC(=O)O)c(C)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 J16 mock treatment 0.254 0.00469 0.23 0.252 7.48E-4 0.04 0.1907 0.8137 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 J17 compound treatment 0.257 0.00769 0.38 0.259 0.00775 0.4 0.55 0.9997 2079575 Maybridge3_007547 Cc1cnc(N/C=N/O)c(Br)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 J18 mock treatment 0.255 0.00569 0.28 0.252 7.48E-4 0.04 0.2255 0.7967 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 J19 mock treatment 0.251 0.00169 0.08 0.256 0.00475 0.24 0.2318 0.8976 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 J20 mock treatment 0.251 0.00169 0.08 0.253 0.00175 0.09 0.1226 0.9993 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 J21 mock treatment 0.253 0.00369 0.18 0.256 0.00475 0.24 0.3015 0.9894 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 J22 mock treatment 0.249 -3.06E-4 -0.02 0.25 -0.00125 -0.06 -0.0562 -0.8495 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 J23 mock treatment 0.249 -3.06E-4 -0.02 0.251 -2.52E-4 -0.01 -0.0198 -0.9972 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 J24 mock treatment 0.246 -0.00331 -0.16 0.247 -0.00425 -0.22 -0.2699 -0.9894 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 K01 compound treatment 0.225 -0.0243 -1.2 0.214 -0.0373 -1.92 -2.2026 -0.9743 2079576 Maybridge3_007548 Cc1noc(C)c1C(=O)Sc2cccc(c2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 K02 compound treatment 0.254 0.00469 0.23 0.259 0.00775 0.4 0.4455 0.9664 2079577 Maybridge3_007549 COc1cc(OC)nc(SC)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 K03 compound treatment 0.249 -3.06E-4 -0.02 0.257 0.00575 0.3 0.1986 0.6702 2079578 Maybridge3_007550 CSc1nnc(c2cnccc2C(F)(F)F)n1c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 K04 compound treatment 0.252 0.00269 0.13 0.257 0.00575 0.3 0.3031 0.9345 2079579 Maybridge3_007551 CCOC(=O)c1cc(C)nn1c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 K05 compound treatment 0.264 0.0147 0.72 0.268 0.0167 0.86 1.1214 0.9962 2079580 Maybridge3_007552 Cc1cc(no1)c2nnc(SCC(=O)c3ccccc3)n2C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 K06 compound treatment 0.263 0.0137 0.67 0.262 0.0107 0.55 0.8682 0.9952 2079581 Maybridge3_007553 O=C(CSc1nnc(s1)c2cnccn2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 K07 compound treatment 0.255 0.00569 0.28 0.26 0.00875 0.45 0.5168 0.974 1221644 Maybridge3_007554 Cc1nc(N)nc(COc2ccccc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 K08 compound treatment 0.298 0.0487 2.4 0.291 0.0397 2.05 3.1428 0.9969 1489033 Maybridge3_007555 Cc1ccc(SCc2cc(=O)oc3cc(O)ccc23)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 K09 compound treatment 0.255 0.00569 0.28 0.25 -0.00125 -0.06 0.1527 0.5308 2079582 Maybridge3_007556 Cc1cc(no1)C(=O)NC(=N)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 K10 compound treatment 0.259 0.00969 0.48 0.262 0.0107 0.55 0.7289 0.9973 1234272 Maybridge3_007557 CCOC(=O)c1cc(Sc2ccccc2)cc(n1)C(=O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 K11 compound treatment 0.256 0.00669 0.33 0.259 0.00775 0.4 0.5152 0.9955 1277094 Maybridge3_007558 O=c1oc2cccnc2n1Cc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 K12 compound treatment 0.251 0.00169 0.08 0.25 -0.00125 -0.06 0.0134 0.1273 2079583 Maybridge3_007559 Cn1nc(cc1C(=O)Nc2ccccc2)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 K13 compound treatment 0.267 0.0177 0.87 0.246 -0.00525 -0.27 0.425 0.4658 2079584 Maybridge3_007560 Cc1onc(c1C(=O)NC(=N)c2ccc(Cl)cc2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 K14 compound treatment 0.256 0.00669 0.33 0.251 -2.52E-4 -0.01 0.224 0.6788 1136125 Maybridge3_007561 CC(=O)Nc1ccc(SC(=O)c2cc(C)n(Cc3ccc(C)cc3)n2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 K15 compound treatment 0.252 0.00269 0.13 0.255 0.00375 0.19 0.2303 0.9833 2079585 Maybridge3_007562 FC(F)(F)c1ccc(nc1)c2nnc(SCC(=O)c3ccccc3)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 K16 compound treatment 0.261 0.0117 0.58 0.258 0.00675 0.35 0.6529 0.9707 2079586 Maybridge3_007563 CC(=O)N/C(=C\c1sc2ccccc2c1C)/C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 K17 compound treatment 0.265 0.0157 0.77 0.266 0.0147 0.76 1.0834 1.0 2079587 Maybridge3_007564 Clc1ccc(Sc2nc(ns2)c3cccs3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 K18 compound treatment 0.255 0.00569 0.28 0.253 0.00175 0.09 0.2619 0.8893 2079588 Maybridge3_007565 COc1c(OC2CCCC2)cccc1/C=C(\NC(=O)C)/C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 K19 compound treatment 0.28 0.0307 1.51 0.28 0.0287 1.48 2.1155 0.9999 2079589 Maybridge3_007566 CSC1=NNC(S1)c2ccccn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 K20 compound treatment 0.252 0.00269 0.13 0.251 -2.52E-4 -0.01 0.0847 0.635 2079590 Maybridge3_007567 CC(=O)N/C(=C/c1ccc(C)c(C)c1)/C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 K21 compound treatment 0.249 -3.06E-4 -0.02 0.253 0.00175 0.09 0.053 0.5806 2079591 Maybridge3_007568 Oc1nnc(Sc2nc(ns2)c3cccs3)n1c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 K22 compound treatment 0.258 0.00869 0.43 0.256 0.00475 0.24 0.4756 0.9646 2079592 Maybridge3_007569 CC(=O)N/C(=C/c1ccoc1)/C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 K23 mock treatment 0.251 0.00169 0.08 0.256 0.00475 0.24 0.2318 0.8976 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 K24 mock treatment 0.252 0.00269 0.13 0.249 -0.00225 -0.12 0.0118 0.0673 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 L01 compound treatment 0.214 -0.0353 -1.74 0.224 -0.0273 -1.4 -2.2216 -0.9943 2079593 Maybridge3_007570 FC(F)(F)c1ccc(SCC(=O)c2ccc3OCCOc3c2)nc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 L02 mock treatment 0.24 -0.00931 -0.46 0.254 0.00275 0.14 -0.2241 -0.4671 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 L03 compound treatment 0.259 0.00969 0.48 0.264 0.0127 0.66 0.8017 0.9878 2079594 Maybridge3_007571 COC(=O)CNC(=O)c1nc(SC)ncc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 L04 mock treatment 0.254 0.00469 0.23 0.262 0.0107 0.55 0.5547 0.9251 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 L05 compound treatment 0.269 0.0197 0.97 0.272 0.0207 1.07 1.4412 0.9988 1191105 Maybridge3_007572 CCOC(=O)C1CCN(Cc2cccc(NC(=O)c3cccs3)c2)CC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 L06 mock treatment 0.254 0.00469 0.23 0.265 0.0137 0.71 0.6639 0.8917 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 L07 compound treatment 0.255 0.00569 0.28 0.27 0.0187 0.97 0.8808 0.8763 2079595 Maybridge3_007573 CN1CCN(CC1)c2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 L08 mock treatment 0.254 0.00469 0.23 0.261 0.00975 0.5 0.5183 0.9381 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 L09 compound treatment 0.255 0.00569 0.28 0.26 0.00875 0.45 0.5168 0.974 2079596 Maybridge3_007574 Nc1nc(Nc2ccccc2)n[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 L10 mock treatment 0.253 0.00369 0.18 0.252 7.48E-4 0.04 0.1559 0.8382 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 L11 compound treatment 0.26 0.0107 0.53 0.254 0.00275 0.14 0.4725 0.8663 1439307 Maybridge3_007575 CS(=O)(=O)c1ccc(cc1)C(=O)Nc2cccc(Cl)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 L12 mock treatment 0.251 0.00169 0.08 0.25 -0.00125 -0.06 0.0134 0.1273 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 L13 compound treatment 0.253 0.00369 0.18 0.255 0.00375 0.19 0.2651 0.9996 2079597 Maybridge3_007576 CCc1cc(Br)ccc1NC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 L14 mock treatment 0.247 -0.00231 -0.11 0.252 7.48E-4 0.04 -0.0531 -0.4426 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 L15 compound treatment 0.255 0.00569 0.28 0.253 0.00175 0.09 0.2619 0.8893 2079598 Maybridge3_007577 Cc1onc(c1N)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 L16 mock treatment 0.261 0.0117 0.58 0.258 0.00675 0.35 0.6529 0.9707 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 L17 compound treatment 0.27 0.0207 1.02 0.272 0.0207 1.07 1.476 0.9997 2079599 Maybridge3_007578 Cc1nc(N/C=N/O)ccc1Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 L18 mock treatment 0.254 0.00469 0.23 0.257 0.00575 0.3 0.3727 0.9925 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 L19 mock treatment 0.257 0.00769 0.38 0.257 0.00575 0.3 0.4772 0.9925 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 L20 mock treatment 0.256 0.00669 0.33 0.259 0.00775 0.4 0.5152 0.9955 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 L21 mock treatment 0.255 0.00569 0.28 0.251 -2.52E-4 -0.01 0.1891 0.6737 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 L22 mock treatment 0.252 0.00269 0.13 0.256 0.00475 0.24 0.2667 0.9588 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 L23 mock treatment 0.254 0.00469 0.23 0.256 0.00475 0.24 0.3363 0.9996 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 L24 mock treatment 0.246 -0.00331 -0.16 0.238 -0.0133 -0.68 -0.5975 -0.8519 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 M01 compound treatment 0.234 -0.0153 -0.75 0.222 -0.0293 -1.51 -1.5979 -0.9488 2079600 Maybridge3_007579 COC(=O)c1c(C)n[nH]c1COc2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 M02 compound treatment 0.25 6.94E-4 0.03 0.252 7.48E-4 0.04 0.0514 0.9982 1564453 Maybridge3_007580 Clc1ccc(SC(=O)N2CCOCC2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 M03 compound treatment 0.295 0.0457 2.25 0.309 0.0577 2.97 3.6936 0.9906 2079601 Maybridge3_007581 CSc1nc(CSc2ccccc2)nc(N)c1C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 M04 compound treatment 0.252 0.00269 0.13 0.254 0.00275 0.14 0.1939 0.9995 2079602 Maybridge3_007582 CSc1nnc(SCC(=O)N2CCC(CC2)C(F)(F)F)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 M05 compound treatment 0.257 0.00769 0.38 0.249 -0.00225 -0.12 0.186 0.4693 2079603 Maybridge3_007583 CCOC(=O)c1cc(C)nc(Sc2ccccc2Cl)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 M06 compound treatment 0.29 0.0407 2.0 0.297 0.0457 2.36 3.0826 0.9968 2079604 Maybridge3_007584 FC(F)(F)c1cccc(c1)C(=O)CSc2nnc(s2)c3cnccn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 M07 compound treatment 0.249 -3.06E-4 -0.02 0.255 0.00375 0.19 0.1258 0.6499 1074960 Maybridge3_007585 CCOC(=O)c1cnc(C)nc1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 M08 compound treatment 0.269 0.0197 0.97 0.279 0.0277 1.43 1.696 0.9822 1648201 Maybridge3_007586 Oc1ccc2c(CSc3ccccc3)cc(=O)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 M09 compound treatment 0.249 -3.06E-4 -0.02 0.247 -0.00425 -0.22 -0.1654 -0.754 2079605 Maybridge3_007587 CCOC(=O)c1cc(C#N)c(Oc2ccccc2)nc1C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 M10 compound treatment 0.269 0.0197 0.97 0.259 0.00775 0.4 0.9679 0.9229 1331589 Maybridge3_007588 CCOC(=O)c1cc(Sc2ccccc2N)cc(n1)C(=O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 M11 compound treatment 0.326 0.0767 3.78 0.25 -0.00125 -0.06 2.6254 0.6949 1554021 Maybridge3_007589 CC(C)c1ccc(NC(=O)Cn2c(=O)oc3cccnc23)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 M12 compound treatment 0.251 0.00169 0.08 0.249 -0.00225 -0.12 -0.023 -0.1609 2079606 Maybridge3_007590 Cn1nc(cc1C(=O)Oc2ccc(Cl)cc2)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 M13 compound treatment 0.258 0.00869 0.43 0.245 -0.00625 -0.32 0.0752 0.1404 2079607 Maybridge3_007591 FC(F)(F)c1cccc(n1)c2nnc(SCc3ccccc3)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 M14 compound treatment 0.247 -0.00231 -0.11 0.251 -2.52E-4 -0.01 -0.0895 -0.7828 2079608 Maybridge3_007592 CSc1nnc(C)n1c2ccc(OCc3ccccc3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 M15 compound treatment 0.241 -0.00831 -0.41 0.25 -0.00125 -0.06 -0.3348 -0.8085 1642418 Maybridge3_007593 Clc1cncc(Cl)c1N2CCN(CC2)C(=O)c3ccco3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 M16 compound treatment 0.253 0.00369 0.18 0.257 0.00575 0.3 0.3379 0.9727 2079609 Maybridge3_007594 CC(=O)N/C(=C\c1ccc(C#N)cc1)/C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 M17 compound treatment 0.264 0.0147 0.72 0.263 0.0117 0.6 0.9394 0.996 2079610 Maybridge3_007595 FC(F)(F)c1ccc(nc1)c2nnc(SCC(=O)Nc3ccccc3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 M18 compound treatment 0.26 0.0107 0.53 0.257 0.00575 0.3 0.5817 0.9628 2079611 Maybridge3_007596 CC(C)Oc1ccc(/C=C(\NC(=O)C)/C(=O)O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 M19 compound treatment 0.246 -0.00331 -0.16 0.252 7.48E-4 0.04 -0.0879 -0.5254 2079612 Maybridge3_007597 CC(C)(C)C(=O)CSC1=NNC(S1)c2ccccn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 M20 compound treatment 0.259 0.00969 0.48 0.256 0.00475 0.24 0.5105 0.9516 2079613 Maybridge3_007598 CC(=O)N/C(=C/c1ccc2OCOc2c1)/C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 M21 compound treatment 0.248 -0.00131 -0.06 0.247 -0.00425 -0.22 -0.2003 -0.8778 2079614 Maybridge3_007599 Cn1cc(Cl)c(n1)C2NN=C(SCC(=O)c3ccc(Cl)cc3)S2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 M22 compound treatment 0.255 0.00569 0.28 0.25 -0.00125 -0.06 0.1527 0.5308 2079615 Maybridge3_007600 COc1ccc(OCCNC(=O)c2ccco2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 M23 mock treatment 0.246 -0.00331 -0.16 0.252 7.48E-4 0.04 -0.0879 -0.5254 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 M24 mock treatment 0.239 -0.0103 -0.51 0.238 -0.0133 -0.68 -0.8413 -0.9894 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 N01 compound treatment 0.207 -0.0423 -2.08 0.227 -0.0243 -1.25 -2.3562 -0.97 2079616 Maybridge3_007601 CSc1nnc(o1)c2ccc(cc2)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 N02 mock treatment 0.237 -0.0123 -0.61 0.243 -0.00825 -0.42 -0.729 -0.9849 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 N03 compound treatment 0.271 0.0217 1.07 0.277 0.0257 1.33 1.6928 0.9943 1721449 Maybridge3_007602 Cc1ccc(NC(=O)c2nsc(Cl)c2Cl)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 N04 mock treatment 0.245 -0.00431 -0.21 0.241 -0.0103 -0.53 -0.5232 -0.9198 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 N05 compound treatment 0.259 0.00969 0.48 0.258 0.00675 0.35 0.5833 0.9878 1670228 Maybridge3_007603 CCOC(=O)C1CCN(Cc2cccc(NC(=O)c3ccco3)c2)CC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 N06 mock treatment 0.246 -0.00331 -0.16 0.249 -0.00225 -0.12 -0.1971 -0.9861 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 N07 compound treatment 0.249 -3.06E-4 -0.02 0.251 -2.52E-4 -0.01 -0.0198 -0.9972 2079617 Maybridge3_007604 C/C=C/C(=O)Nc1ccc(cc1)N2CCN(C)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 N08 mock treatment 0.255 0.00569 0.28 0.251 -2.52E-4 -0.01 0.1891 0.6737 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 N09 compound treatment 0.247 -0.00231 -0.11 0.264 0.0127 0.66 0.3838 0.5762 2079618 Maybridge3_007605 COc1ccc(Nc2n[nH]c(N)n2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 N10 mock treatment 0.245 -0.00431 -0.21 0.245 -0.00625 -0.32 -0.3775 -0.9795 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 N11 compound treatment 0.262 0.0127 0.63 0.269 0.0177 0.91 1.0882 0.9829 1178377 Maybridge3_007606 CC(C)c1ccc(Nc2nc3cccnc3s2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 N12 mock treatment 0.246 -0.00331 -0.16 0.248 -0.00325 -0.17 -0.2335 -0.9999 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 N13 compound treatment 0.257 0.00769 0.38 0.253 0.00175 0.09 0.3316 0.8514 2079619 Maybridge3_007607 CC(=O)Nc1cccc(c1)C(=O)CCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 N14 mock treatment 0.249 -3.06E-4 -0.02 0.257 0.00575 0.3 0.1986 0.6702 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 N15 compound treatment 0.261 0.0117 0.58 0.259 0.00775 0.4 0.6893 0.9839 2079620 Maybridge3_007608 CC(C(=O)c1ccc(C)c(Cl)c1)S(=O)(=O)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 N16 mock treatment 0.25 6.94E-4 0.03 0.253 0.00175 0.09 0.0878 0.9121 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 N17 compound treatment 0.247 -0.00231 -0.11 0.26 0.00875 0.45 0.2381 0.5127 2079621 Maybridge3_007609 O/N=C/Nc1nnc(Cc2ccc(F)cc2)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 N18 mock treatment 0.245 -0.00431 -0.21 0.249 -0.00225 -0.12 -0.2319 -0.9596 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 N19 mock treatment 0.248 -0.00131 -0.06 0.253 0.00175 0.09 0.0182 0.1641 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 N20 mock treatment 0.25 6.94E-4 0.03 0.25 -0.00125 -0.06 -0.0214 -0.2934 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 N21 mock treatment 0.248 -0.00131 -0.06 0.249 -0.00225 -0.12 -0.1275 -0.9614 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 N22 mock treatment 0.247 -0.00231 -0.11 0.242 -0.00925 -0.48 -0.4171 -0.8518 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 N23 mock treatment 0.245 -0.00431 -0.21 0.253 0.00175 0.09 -0.0863 -0.3747 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 N24 mock treatment 0.219 -0.0303 -1.49 0.246 -0.00525 -0.27 -1.2466 -0.8218 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 O01 compound treatment 0.195 -0.0543 -2.67 0.193 -0.0583 -3.0 -4.0118 -0.9984 2079622 Maybridge3_007610 Cc1noc(COc2ccccc2)c1C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 O02 compound treatment 0.242 -0.00731 -0.36 0.279 0.0277 1.43 0.7557 0.513 1178194 Maybridge3_007611 Cc1ccc(SC(=O)N2CCOCC2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 O03 compound treatment 0.243 -0.00631 -0.31 0.251 -2.52E-4 -0.01 -0.2288 -0.736 1301871 Maybridge3_007612 CN(CCOC(=O)Nc1ccccc1)c2ccc(C#N)cn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 O04 compound treatment 0.247 -0.00231 -0.11 0.251 -2.52E-4 -0.01 -0.0895 -0.7828 2079623 Maybridge3_007613 FC(F)(F)C1CCN(CC1)C(=O)CSc2nnc(SCC3CC3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 O05 compound treatment 0.25 6.94E-4 0.03 0.252 7.48E-4 0.04 0.0514 0.9982 2079624 Maybridge3_007614 CCOC(=O)c1cc(C)nc(Sc2ccc(NC(=O)C)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 O06 compound treatment 0.303 0.0537 2.64 0.299 0.0477 2.46 3.6081 0.9993 2079625 Maybridge3_007615 O=C(CSc1nnc(s1)c2cnccn2)Nc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 O07 compound treatment 0.246 -0.00331 -0.16 0.246 -0.00525 -0.27 -0.3063 -0.9705 2079626 Maybridge3_007616 COC(=O)c1cc(C)nc(Sc2ccccc2N)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 O08 compound treatment 0.273 0.0237 1.17 0.28 0.0287 1.48 1.8717 0.9931 2079627 Maybridge3_007617 Oc1ccc2c(CSc3nnc([nH]3)c4ccccc4)cc(=O)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 O09 compound treatment 0.249 -3.06E-4 -0.02 0.24 -0.0113 -0.58 -0.4203 -0.7253 2079628 Maybridge3_007618 FC(F)(F)c1cccc(n1)C(=O)Oc2cc(Cl)cc(Cl)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 O10 compound treatment 0.227 -0.0223 -1.1 0.233 -0.0183 -0.94 -1.4413 -0.997 2079629 Maybridge3_007619 Clc1cncc(Cl)c1Oc2ccc(CC#N)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 O11 compound treatment 0.248 -0.00131 -0.06 0.246 -0.00525 -0.27 -0.2367 -0.8516 1363260 Maybridge3_007620 CSc1cccc(NC(=O)Cn2nc(C)c(Oc3ccccc3)c2C)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 O12 compound treatment 0.239 -0.0103 -0.51 0.242 -0.00925 -0.48 -0.6957 -0.9995 2079630 Maybridge3_007621 Cn1nc(cc1C(=O)Oc2ccc(cc2)C(F)(F)F)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 O13 compound treatment 0.26 0.0107 0.53 0.243 -0.00825 -0.42 0.0721 0.1065 2079631 Maybridge3_007622 Clc1ccc(cc1)C(=N)NC(=O)CCn2c(=O)oc3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 O14 compound treatment 0.252 0.00269 0.13 0.258 0.00675 0.35 0.3395 0.9129 2079632 Maybridge3_007623 Cc1cc(nn1C(C)(C)C)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 O15 compound treatment 0.237 -0.0123 -0.61 0.239 -0.0123 -0.63 -0.8746 -0.9998 2079633 Maybridge3_007624 FC(F)(F)Oc1ccccc1S(=O)(=O)N2CCN(CC2)c3c(Cl)cncc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 O16 compound treatment 0.278 0.0287 1.41 0.278 0.0267 1.38 1.973 0.9999 2079634 Maybridge3_007625 CC(=O)Nc1ccc(/C=C/2\N=C(C)OC2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 O17 compound treatment 0.254 0.00469 0.23 0.251 -2.52E-4 -0.01 0.1543 0.6664 2079635 Maybridge3_007626 FC(F)(F)c1ccc(nc1)c2nnc(SCc3ccc(Cl)cc3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 O18 compound treatment 0.251 0.00169 0.08 0.252 7.48E-4 0.04 0.0862 0.9384 2079636 Maybridge3_007627 CC(=O)N/C(=C\c1c[nH]c(n1)c2ccccc2)/C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 O19 compound treatment 0.239 -0.0103 -0.51 0.238 -0.0133 -0.68 -0.8413 -0.9894 2079637 Maybridge3_007628 O=C(CSC1=NNC(S1)c2ccccn2)Nc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 O20 compound treatment 0.241 -0.00831 -0.41 0.244 -0.00725 -0.37 -0.5533 -0.999 2079638 Maybridge3_007629 CC(=O)N/C(=C/c1ccc(Br)cc1)/C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 O21 compound treatment 0.244 -0.00531 -0.26 0.238 -0.0133 -0.68 -0.6672 -0.9133 2079639 Maybridge3_007630 Cn1cc(Cl)c(n1)C2NN=C(SCC(=O)Nc3ccccc3)S2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 O22 compound treatment 0.242 -0.00731 -0.36 0.248 -0.00325 -0.17 -0.3728 -0.9394 1264644 Maybridge3_007631 Cc1cccc(Cn2nc(cc2C(=O)N3CCOCC3)C(C)(C)C)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 O23 mock treatment 0.249 -3.06E-4 -0.02 0.254 0.00275 0.14 0.0894 0.6282 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 O24 mock treatment 0.238 -0.0113 -0.56 0.226 -0.0253 -1.3 -1.313 -0.9284 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 P01 compound treatment 0.182 -0.0673 -3.32 0.182 -0.0693 -3.57 -4.865 -0.9993 1194786 Maybridge3_007632 CCOC(=O)c1sc(COc2ccccc2OC)nc1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 P02 mock treatment 0.215 -0.0343 -1.69 0.219 -0.0323 -1.66 -2.3688 -1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 P03 compound treatment 0.233 -0.0163 -0.8 0.215 -0.0363 -1.87 -1.8875 -0.929 1177413 Maybridge3_007633 COC(=O)C1CCc2ccccc2N1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 P04 mock treatment 0.244 -0.00531 -0.26 0.23 -0.0213 -1.09 -0.9584 -0.852 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 P05 compound treatment 0.243 -0.00631 -0.31 0.22 -0.0313 -1.61 -1.3573 -0.8283 2079640 Maybridge3_007634 CC(C)(C)OC(=O)N1Cc2ccccc2CC1C(=O)NCc3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 P06 mock treatment 0.25 6.94E-4 0.03 0.226 -0.0253 -1.3 -0.8951 -0.6883 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 P07 compound treatment 0.238 -0.0113 -0.56 0.21 -0.0413 -2.12 -1.8954 -0.8633 1326648 Maybridge3_007635 CCOc1cc(c(OCC)cc1N2CCOCC2)n3cccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 P08 mock treatment 0.247 -0.00231 -0.11 0.214 -0.0373 -1.92 -1.4364 -0.7477 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 P09 compound treatment 0.224 -0.0253 -1.25 0.208 -0.0433 -2.23 -2.4558 -0.9624 2079641 Maybridge3_007636 c1ccn(c1)c2nc3cccnc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 P10 mock treatment 0.221 -0.0283 -1.39 0.227 -0.0243 -1.25 -1.8686 -0.9985 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 P11 compound treatment 0.22 -0.0293 -1.44 0.235 -0.0163 -0.84 -1.6122 -0.9664 2079642 Maybridge3_007637 O=C1/C(=C/c2ccccc2)/CCc3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 P12 mock treatment 0.216 -0.0333 -1.64 0.215 -0.0363 -1.87 -2.4796 -0.9979 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 P13 compound treatment 0.229 -0.0203 -1.0 0.247 -0.00425 -0.22 -0.862 -0.8419 2079643 Maybridge3_007638 C=C(CC(=O)N1CCOCC1)C(=O)N2CCOCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 P14 mock treatment 0.237 -0.0123 -0.61 0.238 -0.0133 -0.68 -0.911 -0.9983 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 P15 compound treatment 0.244 -0.00531 -0.26 0.248 -0.00325 -0.17 -0.3032 -0.9768 2079644 Maybridge3_007639 OC(=O)/C=C/C(=O)c1ccc(cc1)C2CCCCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 P16 mock treatment 0.247 -0.00231 -0.11 0.252 7.48E-4 0.04 -0.0531 -0.4426 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 P17 mock treatment 0.243 -0.00631 -0.31 0.24 -0.0113 -0.58 -0.6292 -0.9573 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 P18 mock treatment 0.226 -0.0233 -1.15 0.236 -0.0153 -0.79 -1.3669 -0.9828 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 P19 mock treatment 0.242 -0.00731 -0.36 0.243 -0.00825 -0.42 -0.5548 -0.9966 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 P20 mock treatment 0.242 -0.00731 -0.36 0.227 -0.0243 -1.25 -1.1373 -0.8753 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 P21 mock treatment 0.231 -0.0183 -0.9 0.219 -0.0323 -1.66 -1.8116 -0.9588 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 P22 mock treatment 0.229 -0.0203 -1.0 0.237 -0.0143 -0.73 -1.226 -0.9884 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 P23 mock treatment 0.239 -0.0103 -0.51 0.232 -0.0193 -0.99 -1.0597 -0.9517 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1452 P24 mock treatment 0.201 -0.0483 -2.38 0.2 -0.0513 -2.64 -3.548 -0.9987 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 A01 compound treatment 0.176 -0.0533 -2.63 0.202 -0.0491 -2.53 -3.6429 -0.9998 1571502 IFLab2_000001 OCCC1(CC2CC3C1)CC(CCO)(C2)C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 A02 compound treatment 0.197 -0.0323 -1.59 0.241 -0.0101 -0.52 -1.4919 -0.8915 2067938 IFLab2_000002 OCN1CCCCCC1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 A03 compound treatment 0.209 -0.0203 -1.0 0.239 -0.0121 -0.62 -1.1468 -0.9739 1158926 IFLab2_000003 CNC(=O)C1(CC2(C)CC3(C)CC(C)(C2)C1)C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 A04 compound treatment 0.4 0.171 8.41 0.409 0.158 8.13 11.6936 0.9999 2068059 IFLab2_000004 COc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)/SC2=S)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 A05 compound treatment 0.211 -0.0183 -0.9 0.239 -0.0121 -0.62 -1.0771 -0.9836 1206421 IFLab2_000005 Cc1cc(O)c2c(=O)c(c3cscn3)c(C)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 A06 compound treatment 0.231 0.0017 0.08 0.252 9.22E-4 0.05 0.0927 0.9641 1582749 IFLab2_000006 COc1cc(ccc1O)C2C(=C(NC3=C2C(=O)CCC3)SCc4ccccc4)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 A07 compound treatment 0.219 -0.0103 -0.51 0.252 9.22E-4 0.05 -0.3253 -0.6382 1316483 IFLab2_000007 COC(=O)C1=C(CCS1)NC(=O)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 A08 compound treatment 0.247 0.0177 0.87 0.249 -0.00208 -0.11 0.5407 0.6157 1056487 IFLab2_000008 CCOC(CSc1nc2ccccc2[nH]1)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 A09 compound treatment 0.235 0.0057 0.28 0.254 0.00292 0.15 0.3048 0.9573 1531292 IFLab2_000009 O=C(CSc1nnc(NC(=O)C2CC2)s1)Nc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 A10 compound treatment 0.236 0.0067 0.33 0.252 9.22E-4 0.05 0.2668 0.8006 1513471 IFLab2_000010 Nc1ccc(cc1)c2nc3ccccc3n2CC=C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 A11 compound treatment 0.22 -0.0093 -0.46 0.242 -0.00908 -0.47 -0.6545 -1.0 2066991 IFLab2_000011 Brc1ccc(cc1)c2nnc3sc(CN4CCCCCC4)cn23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 A12 compound treatment 0.234 0.0047 0.23 0.258 0.00692 0.36 0.4156 0.9781 1185990 IFLab2_000012 CC1CCN(CC1)C(c2c(C)[nH]c3ccccc23)c4ccccn4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 A13 compound treatment 0.221 -0.0083 -0.41 0.263 0.0119 0.61 0.1448 0.1964 2067694 IFLab2_000013 c1csc(c1)c2cn3ccsc3n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 A14 compound treatment 0.259 0.0297 1.46 0.282 0.0309 1.59 2.1599 0.9991 2068175 IFLab2_000014 CCOC(=O)c1cnn(c1N)c2ccc(Cl)c(Cl)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 A15 compound treatment 0.214 -0.0153 -0.75 0.242 -0.00908 -0.47 -0.8634 -0.9736 1582509 IFLab2_000015 CCCOc1ccc(cc1OC)C(=O)NCC2COc3ccccc3O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 A16 compound treatment 0.222 -0.0073 -0.36 0.244 -0.00708 -0.36 -0.512 -1.0 1517837 IFLab2_000016 Cc1nc2scc(c3cccs3)c2c(=O)n1n4cccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 A17 compound treatment 0.232 0.0027 0.13 0.244 -0.00708 -0.36 -0.1637 -0.4222 1361906 IFLab2_000017 O=C(CSC1CCCCC1)N2CCN(CC2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 A18 compound treatment 0.226 -0.0033 -0.16 0.249 -0.00208 -0.11 -0.1907 -0.9793 1257153 IFLab2_000018 CC(C)OC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccs3)cc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 A19 compound treatment 0.217 -0.0123 -0.61 0.246 -0.00508 -0.26 -0.6133 -0.9294 1016009 IFLab2_000019 O=C1CCCCC1CN2CCCCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 A20 compound treatment 0.196 -0.0333 -1.64 0.24 -0.0111 -0.57 -1.5631 -0.9001 2068386 IFLab2_000020 O=C(Nc1ccc(cc1)c2nc3ccccc3s2)C4=COCCO4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 A21 mock treatment 0.212 -0.0173 -0.85 0.223 -0.0281 -1.45 -1.6247 -0.9682 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 A22 mock treatment 0.206 -0.0233 -1.15 0.243 -0.00808 -0.42 -1.1056 -0.9057 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 A23 mock treatment 0.199 -0.0303 -1.49 0.238 -0.0131 -0.67 -1.5314 -0.9353 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 A24 mock treatment 0.182 -0.0473 -2.33 0.186 -0.0651 -3.35 -4.0164 -0.9842 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 B01 compound treatment 0.202 -0.0273 -1.34 0.238 -0.0131 -0.67 -1.427 -0.9488 2068421 IFLab2_000021 O=C(Nc1ccc(cc1)c2nc3ccccc3o2)C4=COCCO4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 B02 compound treatment 0.212 -0.0173 -0.85 0.25 -0.00108 -0.06 -0.6419 -0.7516 1019444 IFLab2_000022 C[n+]1noc(O)c1c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 B03 compound treatment 0.223 -0.0063 -0.31 0.259 0.00792 0.41 0.0689 0.1343 2068431 IFLab2_000023 CC(C)(C)c1ccc(OCc2nc3ccccc3[nH]2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 B04 compound treatment 0.237 0.0077 0.38 0.258 0.00692 0.36 0.52 0.9995 2069012 IFLab2_000024 CN(C)C(CC(=O)Nc1cccc(c1)C(F)(F)F)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 B05 compound treatment 0.235 0.0057 0.28 0.258 0.00692 0.36 0.4504 0.993 2068436 IFLab2_000025 NC(=O)c1ccsc1NC(=O)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 B06 compound treatment 0.237 0.0077 0.38 0.256 0.00492 0.25 0.4472 0.9808 2069016 IFLab2_000026 Cc1sc2c(c1C)c(=O)nc3scc(CC(=O)NCCO)n32 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 B07 compound treatment 0.23 6.97E-4 0.03 0.243 -0.00808 -0.42 -0.2698 -0.6466 2068455 IFLab2_000027 Cc1sc(NC(=O)c2ccco2)c(C(N3CCOCC3)c4ccncc4)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 B08 compound treatment 0.272 0.0427 2.1 0.296 0.0449 2.31 3.1223 0.9989 2069018 IFLab2_000028 FC(F)(F)c1cccc(NC2=NC(=O)/C(=C\c3cccs3)/S2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 B09 compound treatment 0.254 0.0247 1.22 0.267 0.0159 0.82 1.4397 0.9815 2068692 IFLab2_000029 CNCC(O)Cn1c2ccccc2c3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 B10 compound treatment 0.247 0.0177 0.87 0.259 0.00792 0.41 0.9047 0.9401 2069022 IFLab2_000030 COc1ccccc1Cn2c(=O)oc3ccc(C)cc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 B11 compound treatment 0.231 0.0017 0.08 0.258 0.00692 0.36 0.3111 0.8499 1721418 IFLab2_000031 O=C(NCC1CCCO1)C2CCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 B12 compound treatment 0.25 0.0207 1.02 0.258 0.00692 0.36 0.9728 0.9008 2069023 IFLab2_000032 OC(=O)c1ccc(OC(F)(F)F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 B13 compound treatment 0.234 0.0047 0.23 0.267 0.0159 0.82 0.7432 0.8726 1670110 IFLab2_000033 CC(=O)N(C1CS(=O)(=O)C=C1)c2ccc(C)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 B14 compound treatment 0.23 6.97E-4 0.03 0.256 0.00492 0.25 0.2034 0.7956 1134203 IFLab2_000034 CCOC(=O)CC(=O)Nc1nc2ccccc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 B15 compound treatment 0.235 0.0057 0.28 0.26 0.00892 0.46 0.5232 0.972 2068969 IFLab2_000035 CN(C)C(=O)c1cn(nc1c2cc3ccccc3oc2=O)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 B16 compound treatment 0.254 0.0247 1.22 0.266 0.0149 0.77 1.4033 0.9754 2069025 IFLab2_000036 Cc1ccnc(SCc2nc3ccc(Cl)cn3c2Br)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 B17 compound treatment 0.241 0.0117 0.58 0.266 0.0149 0.77 0.9506 0.9899 2068964 IFLab2_000037 CC(C)N(C(=O)Cn1c(=O)oc2ccccc12)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 B18 compound treatment 0.276 0.0467 2.3 0.296 0.0449 2.31 3.2616 1.0 2069027 IFLab2_000038 CCOc1ccc(cc1)c2cc(O)cc3sc(=O)oc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 B19 compound treatment 0.226 -0.0033 -0.16 0.256 0.00492 0.25 0.0641 0.213 2068970 IFLab2_000039 C[n+]1noc(NC(=O)C(F)(F)F)c1c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 B20 compound treatment 0.228 -0.0013 -0.06 0.253 0.00192 0.1 0.0246 0.2084 2069212 IFLab2_000040 CC(SC1=NCCN1S(=O)(=O)C)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 B21 mock treatment 0.233 0.0037 0.18 0.259 0.00792 0.41 0.4171 0.9339 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 B22 mock treatment 0.225 -0.0043 -0.21 0.252 9.22E-4 0.05 -0.1163 -0.5354 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 B23 mock treatment 0.217 -0.0123 -0.61 0.259 0.00792 0.41 -0.1401 -0.1918 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 B24 mock treatment 0.209 -0.0203 -1.0 0.248 -0.00308 -0.16 -0.8191 -0.8091 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 C01 compound treatment 0.21 -0.0193 -0.95 0.228 -0.0231 -1.19 -1.5124 -0.9939 1464506 IFLab2_000041 NC1(CC2CC3C1)CC(C2)(C3)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 C02 compound treatment 0.217 -0.0123 -0.61 0.246 -0.00508 -0.26 -0.6133 -0.9294 2067954 IFLab2_000042 CN(C)C(=S)SCN1CCCCCC1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 C03 compound treatment 0.222 -0.0073 -0.36 0.237 -0.0141 -0.72 -0.7668 -0.9478 1137572 IFLab2_000043 Nc1nc(cs1)C2(CC3CC4CC(C3)C2)C4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 C04 compound treatment 0.374 0.145 7.13 0.382 0.131 6.74 9.8052 0.9996 2068073 IFLab2_000044 COc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)/SC2=S)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 C05 compound treatment 0.225 -0.0043 -0.21 0.247 -0.00408 -0.21 -0.2983 -1.0 2066103 IFLab2_000045 Brc1ccc2oc(=O)c(cc2c1)c3ccc4OCCOc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 C06 compound treatment 0.221 -0.0083 -0.41 0.241 -0.0101 -0.52 -0.656 -0.9931 1335997 IFLab2_000046 CCSC1=C(C#N)C(C2=C(CCCC2=O)N1)c3cccc(Cl)c3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 C07 compound treatment 0.225 -0.0043 -0.21 0.252 9.22E-4 0.05 -0.1163 -0.5354 2066344 IFLab2_000047 COC(=O)C1=C(CCS1)NC(=O)/C=C/c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 C08 compound treatment 0.239 0.0097 0.48 0.255 0.00392 0.2 0.4805 0.9266 1205579 IFLab2_000048 CCOC(Cn1c(nc2ccccc12)c3ccc(OC)cc3)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 C09 compound treatment 0.272 0.0427 2.1 0.278 0.0269 1.39 2.467 0.9795 1360502 IFLab2_000049 O=C(CSc1nnc(NC(=O)c2ccccc2)s1)Nc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 C10 compound treatment 0.237 0.0077 0.38 0.244 -0.00708 -0.36 0.0104 0.0198 1345180 IFLab2_000050 CCn1c(nc2ccccc12)c3ccc(N)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 C11 compound treatment 0.228 -0.0013 -0.06 0.244 -0.00708 -0.36 -0.303 -0.8191 2067035 IFLab2_000051 CCOC(=O)C1CCN(Cc2cn3c(nnc3s2)c4ccc(Br)cc4)CC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 C12 compound treatment 0.236 0.0067 0.33 0.253 0.00192 0.1 0.3032 0.8805 1461963 IFLab2_000052 CCOC(=O)C1CCN(CC1)C(c2c(C)[nH]c3ccccc23)c4ccccn4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 C13 compound treatment 0.24 0.0107 0.53 0.273 0.0219 1.13 1.1706 0.9398 1684284 IFLab2_000053 OC(=O)CN1C(=O)c2cccc3cccc1c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 C14 compound treatment 0.239 0.0097 0.48 0.25 -0.00108 -0.06 0.2985 0.6208 1692380 IFLab2_000054 O=C(CCN1CCOCC1)Nc2sc3CCCCCc3c2C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 C15 compound treatment 0.221 -0.0083 -0.41 0.241 -0.0101 -0.52 -0.656 -0.9931 1985559 IFLab2_000055 Nc1nc(N)n(n1)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 C16 compound treatment 0.232 0.0027 0.13 0.248 -0.00308 -0.16 -0.0181 -0.0877 2068190 IFLab2_000056 Cc1sc2ncn3nnnc3c2c1c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 C17 compound treatment 0.227 -0.0023 -0.11 0.25 -0.00108 -0.06 -0.1195 -0.9459 1271955 IFLab2_000057 O=C(CSCc1ccccc1)N2CCN(CC2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 C18 compound treatment 0.286 0.0567 2.79 0.293 0.0419 2.16 3.5006 0.9919 1431576 IFLab2_000058 O=C1CCCc2oc3ccc(NS(=O)(=O)c4cccs4)cc3c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 C19 mock treatment 0.222 -0.0073 -0.36 0.241 -0.0101 -0.52 -0.6212 -0.984 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 C20 mock treatment 0.226 -0.0033 -0.16 0.242 -0.00908 -0.47 -0.4455 -0.9003 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 C21 mock treatment 0.224 -0.0053 -0.26 0.243 -0.00808 -0.42 -0.4788 -0.9749 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 C22 mock treatment 0.223 -0.0063 -0.31 0.245 -0.00608 -0.31 -0.4408 -1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 C23 mock treatment 0.22 -0.0093 -0.46 0.242 -0.00908 -0.47 -0.6545 -1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 C24 mock treatment 0.213 -0.0163 -0.8 0.241 -0.0101 -0.52 -0.9347 -0.9777 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 D01 compound treatment 0.216 -0.0133 -0.66 0.255 0.00392 0.2 -0.3205 -0.4675 2068457 IFLab2_000059 O=C(N1CCN(CC1)c2nc3ccccc3s2)C4=COCCO4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 D02 compound treatment 0.289 0.0597 2.94 0.305 0.0539 2.78 4.042 0.9996 2068758 IFLab2_000060 CCN(CC)CC1=C/C(=N/O)/c2cccnc2C1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 D03 compound treatment 0.231 0.0017 0.08 0.253 0.00192 0.1 0.1291 0.9965 2068468 IFLab2_000061 COC(=O)CSc1nnc(o1)c2ccc(OC)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 D04 compound treatment 0.24 0.0107 0.53 0.254 0.00292 0.15 0.4789 0.8741 2068762 IFLab2_000062 COc1cc(/C=N/S(=O)(=O)c2ccccc2)cc(OC)c1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 D05 compound treatment 0.258 0.0287 1.41 0.268 0.0169 0.87 1.6154 0.973 2068474 IFLab2_000063 COc1ccc(C(=O)Nc2sccc2C(=O)N)c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 D06 compound treatment 0.229 -3.03E-4 -0.01 0.244 -0.00708 -0.36 -0.2682 -0.7355 1541550 IFLab2_000064 CCCCc1ccc(NS(=O)(=O)c2cccs2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 D07 compound treatment 0.233 0.0037 0.18 0.259 0.00792 0.41 0.4171 0.9339 2068492 IFLab2_000065 Cc1sc(NC(=O)c2ccco2)c(CN3CCN(CC3)c4ccccn4)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 D08 compound treatment 0.249 0.0197 0.97 0.276 0.0249 1.28 1.5932 0.9905 2068767 IFLab2_000066 COc1ccccc1/C=C/2\SC(=S)N(C2=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 D09 compound treatment 0.3 0.0707 3.48 0.319 0.0679 3.5 4.9347 1.0 1139707 IFLab2_000067 CS(=O)(=O)N1CCN(CC(O)Cn2c3ccc(Cl)cc3c4cc(Cl)ccc24)CC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 D10 compound treatment 0.223 -0.0063 -0.31 0.249 -0.00208 -0.11 -0.2952 -0.8989 2068769 IFLab2_000068 COc1ccc(Cn2c(=O)oc3ccc(C)cc23)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 D11 compound treatment 0.232 0.0027 0.13 0.257 0.00592 0.3 0.3095 0.9307 1678677 IFLab2_000069 COc1ccc(cc1)C2C(CC(=O)N2Cc3ccccc3)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 D12 compound treatment 0.234 0.0047 0.23 0.249 -0.00208 -0.11 0.0879 0.345 2068770 IFLab2_000070 Cc1ccc(NS(=O)(=O)C(F)(F)F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 D13 compound treatment 0.229 -3.03E-4 -0.01 0.258 0.00692 0.36 0.2414 0.6769 1195801 IFLab2_000071 COc1ccc(cc1)N(C2CS(=O)(=O)C=C2)C(=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 D14 compound treatment 0.25 0.0207 1.02 0.25 -0.00108 -0.06 0.6816 0.6676 2068771 IFLab2_000072 CC1C/C(=C\c2cccnc2)/C(=O)\C(=C\c3cccnc3)\C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 D15 compound treatment 0.238 0.0087 0.43 0.25 -0.00108 -0.06 0.2636 0.6104 2069004 IFLab2_000073 O=C(N1CCCCC1)c2cn(nc2c3ccncc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 D16 compound treatment 0.241 0.0117 0.58 0.251 -7.78E-5 0.0 0.4045 0.7022 1865121 IFLab2_000074 COc1ccc(OCC(O)CNC(C)C)c(c1)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 D17 compound treatment 0.243 0.0137 0.67 0.265 0.0139 0.72 0.9838 0.9995 2068999 IFLab2_000075 COC(=O)Cn1c(=O)oc2ccccc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 D18 compound treatment 0.243 0.0137 0.67 0.259 0.00792 0.41 0.7654 0.971 2069047 IFLab2_000076 CCSC1=NCCN1S(=O)(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 D19 mock treatment 0.229 -3.03E-4 -0.01 0.254 0.00292 0.15 0.0958 0.6338 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 D20 mock treatment 0.241 0.0117 0.58 0.251 -7.78E-5 0.0 0.4045 0.7022 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 D21 mock treatment 0.234 0.0047 0.23 0.252 9.22E-4 0.05 0.1971 0.8348 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 D22 mock treatment 0.238 0.0087 0.43 0.251 -7.78E-5 0.0 0.3 0.7005 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 D23 mock treatment 0.225 -0.0043 -0.21 0.251 -7.78E-5 0.0 -0.1527 -0.7203 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 D24 mock treatment 0.219 -0.0103 -0.51 0.248 -0.00308 -0.16 -0.4709 -0.8857 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 E01 compound treatment 0.217 -0.0123 -0.61 0.252 9.22E-4 0.05 -0.3949 -0.6497 1313832 IFLab2_000077 NC(=O)C1(CC2CC3CC(C2)CC1)C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 E02 compound treatment 0.237 0.0077 0.38 0.259 0.00792 0.41 0.5564 0.9993 2067961 IFLab2_000078 O=C(CN1C(=O)/C(=C\c2cccs2)/SC1=S)Nc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 E03 compound treatment 0.244 0.0147 0.72 0.253 0.00192 0.1 0.5818 0.7964 1727964 IFLab2_000079 CNC(=O)C1(CC2CC3C1)CC(C2)CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 E04 compound treatment 0.242 0.0127 0.63 0.253 0.00192 0.1 0.5122 0.8089 1419715 IFLab2_000080 Cn1c(=NC(=O)c2ccc(Cl)s2)sc3cc(ccc13)S(=O)(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 E05 compound treatment 0.235 0.0057 0.28 0.248 -0.00308 -0.16 0.0864 0.268 1722057 IFLab2_000081 Oc1ccc2c(=O)c(coc2c1)c3cc4ccccc4o3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 E06 compound treatment 0.234 0.0047 0.23 0.257 0.00592 0.3 0.3792 0.9907 1500326 IFLab2_000082 CCN(CC)S(=O)(=O)c1ccc2SC(=O)c3cccc1c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 E07 compound treatment 0.233 0.0037 0.18 0.258 0.00692 0.36 0.3807 0.9514 1133059 IFLab2_000083 COC(=O)C1=C(CCS1)NC(=O)Cc2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 E08 compound treatment 0.237 0.0077 0.38 0.268 0.0169 0.87 0.8841 0.9305 1626661 IFLab2_000084 CCOC(Cn1c(CO)nc2ccccc12)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 E09 compound treatment 0.275 0.0457 2.25 0.288 0.0369 1.9 2.9355 0.9965 1684952 IFLab2_000085 CC(C)CC(=O)Nc1nnc(SCC(=O)Nc2ccc(C)cc2)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 E10 compound treatment 0.24 0.0107 0.53 0.262 0.0109 0.56 0.7701 0.9995 2067968 IFLab2_000086 O/N=C/c1nc(c2ccccc2)n3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 E11 compound treatment 0.231 0.0017 0.08 0.249 -0.00208 -0.11 -0.0165 -0.1219 2067078 IFLab2_000087 CC1CCN(Cc2cn3c(nnc3s2)c4ccc(Br)cc4)CC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 E12 compound treatment 0.25 0.0207 1.02 0.253 0.00192 0.1 0.7908 0.7721 2068086 IFLab2_000088 COc1cccc(c1)c2nc3sc4CCCCc4c3c(=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 E13 compound treatment 0.261 0.0317 1.56 0.26 0.00892 0.46 1.4287 0.8779 1234418 IFLab2_000089 CC(C)(C)c1ccccc1OCC(O)CN2CCN(CC2)c3ccccc3F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 E14 compound treatment 0.25 0.0207 1.02 0.251 -7.78E-5 0.0 0.718 0.7043 1667885 IFLab2_000090 CCOC(=O)c1c(NC(=O)CCN2CCOCC2)sc(C)c1c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 E15 compound treatment 0.244 0.0147 0.72 0.253 0.00192 0.1 0.5818 0.7964 1498479 IFLab2_000091 CCOC(=O)C1CCCN(CCC(=O)Nc2cc(C)ccc2C)C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 E16 compound treatment 0.242 0.0127 0.63 0.247 -0.00408 -0.21 0.2937 0.4453 1395341 IFLab2_000092 COc1ccc(cc1)S(=O)(=O)Nc2ccc3oc(=O)sc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 E17 compound treatment 0.253 0.0237 1.17 0.259 0.00792 0.41 1.1137 0.9008 1197141 IFLab2_000093 CCOC(=O)N1CCN(CC1)C(=O)CSc2ccc(C)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 E18 compound treatment 0.247 0.0177 0.87 0.268 0.0169 0.87 1.2323 1.0 2068472 IFLab2_000094 O=C(Nc1sc2CCCCc2c1C#N)C3=COCCO3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 E19 mock treatment 0.237 0.0077 0.38 0.252 9.22E-4 0.05 0.3016 0.7895 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 E20 mock treatment 0.242 0.0127 0.63 0.251 -7.78E-5 0.0 0.4394 0.7026 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 E21 mock treatment 0.24 0.0107 0.53 0.254 0.00292 0.15 0.4789 0.8741 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 E22 mock treatment 0.242 0.0127 0.63 0.256 0.00492 0.25 0.6214 0.9209 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 E23 mock treatment 0.233 0.0037 0.18 0.25 -0.00108 -0.06 0.0895 0.4703 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 E24 mock treatment 0.22 -0.0093 -0.46 0.253 0.00192 0.1 -0.254 -0.5419 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 F01 compound treatment 0.226 -0.0033 -0.16 0.253 0.00192 0.1 -0.0451 -0.2367 2068210 IFLab2_000095 FC(F)(F)c1cccc(NC2=NC(=O)CS2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 F02 compound treatment 0.298 0.0687 3.38 0.325 0.0739 3.81 5.0834 0.9983 2068796 IFLab2_000096 O/N=C\1/C=C(CN2CCOCC2)C(=O)c3ncccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 F03 compound treatment 0.251 0.0217 1.07 0.259 0.00792 0.41 1.044 0.9128 2068215 IFLab2_000097 COC(=O)c1ccsc1NC(=O)C(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 F04 compound treatment 0.294 0.0647 3.19 0.294 0.0429 2.21 3.8157 0.984 2068800 IFLab2_000098 COc1ccc(OC)c(NC(=O)CC2Sc3ccccc3NC2=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 F05 compound treatment 0.235 0.0057 0.28 0.268 0.0169 0.87 0.8144 0.8898 2068236 IFLab2_000099 Cc1ccc2n(CC(=O)O)c3nc4ccccc4nc3c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 F06 compound treatment 0.238 0.0087 0.43 0.251 -7.78E-5 0.0 0.3 0.7005 2068802 IFLab2_000100 Clc1ccc(Cl)c(NS(=O)(=O)c2cccs2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 F07 compound treatment 0.238 0.0087 0.43 0.257 0.00592 0.3 0.5185 0.9861 2068501 IFLab2_000101 Cc1ccc(cc1C)N2CCN(CC2)C(=O)c3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 F08 compound treatment 0.277 0.0477 2.35 0.282 0.0309 1.59 2.7868 0.982 2068805 IFLab2_000102 COc1ccccc1/C=C/2\SC(=O)N(C2=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 F09 compound treatment 0.252 0.0227 1.12 0.254 0.00292 0.15 0.8968 0.7951 2068516 IFLab2_000103 Cn1cc(C(=O)Cc2ccccc2)c3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 F10 compound treatment 0.234 0.0047 0.23 0.265 0.0139 0.72 0.6704 0.8901 1870189 IFLab2_000104 CC(C)C(NC(=O)c1cc2ccccc2cc1O)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 F11 compound treatment 0.243 0.0137 0.67 0.251 -7.78E-5 0.0 0.4742 0.7029 2068745 IFLab2_000105 CN(C)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 F12 compound treatment 0.234 0.0047 0.23 0.255 0.00392 0.2 0.3063 0.9977 2068807 IFLab2_000106 Cc1ccccc1OCCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 F13 compound treatment 0.231 0.0017 0.08 0.26 0.00892 0.46 0.3839 0.8223 2068750 IFLab2_000107 NC(=O)CSc1nnc(c2cccs2)n1c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 F14 compound treatment 0.231 0.0017 0.08 0.235 -0.0161 -0.83 -0.5262 -0.6325 2068809 IFLab2_000108 Cc1ccnc2ccc(SC(F)(F)F)cc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 F15 compound treatment 0.238 0.0087 0.43 0.254 0.00292 0.15 0.4093 0.9015 2068746 IFLab2_000109 Cn1c(nc2ccccc12)C3CN(C(=O)C3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 F16 compound treatment 0.249 0.0197 0.97 0.257 0.00592 0.3 0.9016 0.8866 2068810 IFLab2_000110 Cc1ccc(OCC(O)CN)c(C)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 F17 compound treatment 0.256 0.0267 1.31 0.263 0.0119 0.61 1.3638 0.9398 2068751 IFLab2_000111 O=S(=O)(NC1CCCCC1n2cc(nn2)c3ccccc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 F18 compound treatment 0.235 0.0057 0.28 0.26 0.00892 0.46 0.5232 0.972 2069070 IFLab2_000112 CCSC1=NCCN1S(=O)(=O)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 F19 mock treatment 0.233 0.0037 0.18 0.258 0.00692 0.36 0.3807 0.9514 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 F20 mock treatment 0.243 0.0137 0.67 0.259 0.00792 0.41 0.7654 0.971 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 F21 mock treatment 0.242 0.0127 0.63 0.258 0.00692 0.36 0.6942 0.9645 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 F22 mock treatment 0.234 0.0047 0.23 0.256 0.00492 0.25 0.3428 0.999 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 F23 mock treatment 0.233 0.0037 0.18 0.26 0.00892 0.46 0.4535 0.9179 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 F24 mock treatment 0.225 -0.0043 -0.21 0.254 0.00292 0.15 -0.0435 -0.1674 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 G01 compound treatment 0.218 -0.0113 -0.56 0.242 -0.00908 -0.47 -0.7241 -0.9962 2065957 IFLab2_000113 ClC1(CC2CC3C1)CC(C2)(C3)C(=O)NC4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 G02 compound treatment 0.239 0.0097 0.48 0.26 0.00892 0.46 0.6625 0.9998 2067977 IFLab2_000114 O=C(CN1C(=O)/C(=C\c2cccs2)/SC1=S)Nc3ccc4OCOc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 G03 compound treatment 0.226 -0.0033 -0.16 0.245 -0.00608 -0.31 -0.3363 -0.9536 1181085 IFLab2_000115 Clc1ccc(cc1Cl)S(=O)(=O)N2CCn3c(C2)nc4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 G04 compound treatment 0.226 -0.0033 -0.16 0.256 0.00492 0.25 0.0641 0.213 1163664 IFLab2_000116 Cn1c(=NC(=O)c2c(F)cccc2F)sc3cc(ccc13)S(=O)(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 G05 compound treatment 0.272 0.0427 2.1 0.273 0.0219 1.13 2.285 0.9574 1734927 IFLab2_000117 CC(=O)Oc1ccc2c(=O)c(Oc3ccc(Cl)cc3)coc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 G06 compound treatment 0.241 0.0117 0.58 0.253 0.00192 0.1 0.4773 0.8166 1133429 IFLab2_000118 OC(=O)c1cccc(c1)S(=O)(=O)Nc2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 G07 compound treatment 0.241 0.0117 0.58 0.256 0.00492 0.25 0.5865 0.932 1002093 IFLab2_000119 CC(=O)Oc1ccc2c(C)cc(=O)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 G08 compound treatment 0.246 0.0167 0.82 0.264 0.0129 0.67 1.0519 0.9945 1701281 IFLab2_000120 CCOC(Cn1c(nc2ccccc12)C(C)O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 G09 compound treatment 0.235 0.0057 0.28 0.252 9.22E-4 0.05 0.232 0.8152 1456677 IFLab2_000121 O=C(NC1SC2=C(CCCC2)C1C#N)c3cc4ccccc4oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 G10 compound treatment 0.318 0.0887 4.37 0.326 0.0749 3.86 5.8164 0.9981 2067985 IFLab2_000122 OC(=O)/C=C/c1nc(c2ccccc2)n3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 G11 compound treatment 0.245 0.0157 0.77 0.251 -7.78E-5 0.0 0.5438 0.7034 2067120 IFLab2_000123 Brc1ccc(cc1)c2nnc3sc(CNC4CCCC4)cn23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 G12 compound treatment 0.259 0.0297 1.46 0.254 0.00292 0.15 1.1406 0.7757 1392911 IFLab2_000124 Cc1sc2ncnc(NC3CCN(Cc4ccccc4)CC3)c2c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 G13 compound treatment 0.237 0.0077 0.38 0.261 0.00992 0.51 0.6292 0.9892 1574885 IFLab2_000125 CCOC(=O)N1CCN(CC(O)COc2ccc3ccccc3c2)CC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 G14 compound treatment 0.238 0.0087 0.43 0.242 -0.00908 -0.47 -0.0276 -0.0435 2068100 IFLab2_000126 CCOc1ncnc2sc(cc12)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 G15 compound treatment 0.237 0.0077 0.38 0.251 -7.78E-5 0.0 0.2652 0.6996 2067858 IFLab2_000127 Cc1ccc(SCC(=O)N2CCCCC2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 G16 compound treatment 0.233 0.0037 0.18 0.252 9.22E-4 0.05 0.1623 0.8626 1164761 IFLab2_000128 Cc1ccc(c(C)c1)S(=O)(=O)Nc2ccc(O)c(c2)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 G17 compound treatment 0.249 0.0197 0.97 0.258 0.00692 0.36 0.938 0.9076 1376706 IFLab2_000129 COc1ccc(OC)c(c1)S(=O)(=O)NC(C)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 G18 compound treatment 0.269 0.0397 1.96 0.277 0.0259 1.33 2.3261 0.9827 2068200 IFLab2_000130 O=C(Nc1cccc(c1)c2nc3ccccc3s2)C4=COCCO4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 G19 mock treatment 0.229 -3.03E-4 -0.01 0.243 -0.00808 -0.42 -0.3046 -0.732 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 G20 mock treatment 0.232 0.0027 0.13 0.252 9.22E-4 0.05 0.1275 0.9039 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 G21 mock treatment 0.233 0.0037 0.18 0.254 0.00292 0.15 0.2351 0.9955 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 G22 mock treatment 0.227 -0.0023 -0.11 0.255 0.00392 0.2 0.0626 0.2701 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 G23 mock treatment 0.228 -0.0013 -0.06 0.251 -7.78E-5 0.0 -0.0482 -0.7498 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 G24 mock treatment 0.222 -0.0073 -0.36 0.246 -0.00508 -0.26 -0.4392 -0.9877 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 H01 compound treatment 0.227 -0.0023 -0.11 0.258 0.00692 0.36 0.1718 0.4593 2068248 IFLab2_000131 Cc1ccc(cc1)n2nnnc2c3ccc4ccccc4n3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 H02 compound treatment 0.319 0.0897 4.42 0.31 0.0589 3.03 5.2688 0.9832 2068831 IFLab2_000132 COC(=O)c1ccccc1c2ccc(/C=C/3\SC(=O)NC3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 H03 compound treatment 0.227 -0.0023 -0.11 0.253 0.00192 0.1 -0.0102 -0.0681 2068252 IFLab2_000133 COC(=O)c1ccsc1NC(=O)c2ccc(cc2)N(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 H04 compound treatment 0.238 0.0087 0.43 0.259 0.00792 0.41 0.5913 0.9997 2068835 IFLab2_000134 CCOc1cc(/C=N/S(=O)(=O)c2cccs2)cc(Br)c1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 H05 compound treatment 0.247 0.0177 0.87 0.255 0.00392 0.2 0.7591 0.8484 2068273 IFLab2_000135 CN1CCN(CC1)C(c2c(NC(=O)C)sc3CCCCc23)c4ccccn4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 H06 compound treatment 0.237 0.0077 0.38 0.254 0.00292 0.15 0.3744 0.9181 2068837 IFLab2_000136 CCOc1ccccc1N2C(=O)/C(=C\c3cccs3)/SC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 H07 compound treatment 0.237 0.0077 0.38 0.258 0.00692 0.36 0.52 0.9995 2068534 IFLab2_000137 CCOc1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 H08 compound treatment 0.248 0.0187 0.92 0.262 0.0109 0.56 1.0487 0.972 2068841 IFLab2_000138 Clc1cc(Cl)cc(c1)N2C(=O)/C(=C/c3cccs3)/SC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 H09 compound treatment 0.244 0.0147 0.72 0.255 0.00392 0.2 0.6546 0.8711 1984307 IFLab2_000139 CNCCn1ccc2ccccc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 H10 compound treatment 0.241 0.0117 0.58 0.253 0.00192 0.1 0.4773 0.8166 1559763 IFLab2_000140 CCCN(CCC)C(=O)c1cc2ccccc2cc1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 H11 compound treatment 0.231 0.0017 0.08 0.251 -7.78E-5 0.0 0.0563 0.6725 2068782 IFLab2_000141 CN(CC(O)Cn1c2ccccc2c3ccccc13)S(=O)(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 H12 compound treatment 0.244 0.0147 0.72 0.25 -0.00108 -0.06 0.4726 0.651 2068842 IFLab2_000142 COc1ccccc1OCCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 H13 compound treatment 0.232 0.0027 0.13 0.258 0.00692 0.36 0.3459 0.9095 2068788 IFLab2_000143 COC(=O)CSc1nnc(c2cccs2)n1c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 H14 compound treatment 0.236 0.0067 0.33 0.253 0.00192 0.1 0.3032 0.8805 2068844 IFLab2_000144 Clc1ccccc1c2nnc(o2)c3ccncc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 H15 compound treatment 0.247 0.0177 0.87 0.248 -0.00308 -0.16 0.5043 0.5692 2068783 IFLab2_000145 CC(C)n1c(nc2ccccc12)C3CN(C(=O)C3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 H16 compound treatment 0.244 0.0147 0.72 0.251 -7.78E-5 0.0 0.509 0.7032 2068846 IFLab2_000146 Cc1ccc(CC2SC(=N)NC2=O)cc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 H17 compound treatment 0.251 0.0217 1.07 0.267 0.0159 0.82 1.3352 0.9914 1572783 IFLab2_000147 CC1(C)C(CCC1(C)C(=O)O)C(=O)N2CCc3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 H18 compound treatment 0.245 0.0157 0.77 0.254 0.00292 0.15 0.653 0.8292 2069094 IFLab2_000148 CCSC1=NCCN1S(=O)(=O)c2ccc(NC(=O)C)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 H19 mock treatment 0.242 0.0127 0.63 0.257 0.00592 0.3 0.6578 0.9455 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 H20 mock treatment 0.228 -0.0013 -0.06 0.247 -0.00408 -0.21 -0.1938 -0.883 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 H21 mock treatment 0.236 0.0067 0.33 0.255 0.00392 0.2 0.376 0.9723 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 H22 mock treatment 0.233 0.0037 0.18 0.251 -7.78E-5 0.0 0.1259 0.6914 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 H23 mock treatment 0.232 0.0027 0.13 0.255 0.00392 0.2 0.2367 0.9793 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 H24 mock treatment 0.219 -0.0103 -0.51 0.259 0.00792 0.41 -0.0704 -0.1082 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 I01 compound treatment 0.22 -0.0093 -0.46 0.253 0.00192 0.1 -0.254 -0.5419 2065977 IFLab2_000149 ClC1(CC2CC3C1)CC(C2)(C3)C(=O)N4CCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 I02 compound treatment 0.24 0.0107 0.53 0.252 9.22E-4 0.05 0.4061 0.7677 2067993 IFLab2_000150 O=C(CN1C(=O)/C(=C\c2cccs2)/SC1=S)N3CCCc4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 I03 compound treatment 0.292 0.0627 3.09 0.29 0.0389 2.0 3.6004 0.9781 1344908 IFLab2_000151 Brc1ccc2[nH]c3nc(SCCN4CCOCC4)nnc3c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 I04 compound treatment 0.228 -0.0013 -0.06 0.253 0.00192 0.1 0.0246 0.2084 2068002 IFLab2_000152 COc1ccc(Cl)cc1NC(=O)/C(=C\C(=O)O)/C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 I05 compound treatment 0.237 0.0077 0.38 0.257 0.00592 0.3 0.4836 0.9942 2066279 IFLab2_000153 Clc1ccc(cc1)c2nnc(NC(=O)/C=C\c3ccccc3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 I06 compound treatment 0.25 0.0207 1.02 0.25 -0.00108 -0.06 0.6816 0.6676 1200595 IFLab2_000154 COc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 I07 compound treatment 0.254 0.0247 1.22 0.259 0.00792 0.41 1.1485 0.8952 1247768 IFLab2_000155 CC(=O)Nc1nnc(SCC(=O)Nc2ccccc2)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 I08 compound treatment 0.25 0.0207 1.02 0.256 0.00492 0.25 0.9 0.8568 1471952 IFLab2_000156 CCOC(Cn1c(COc2ccccc2)nc3ccccc13)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 I09 compound treatment 0.246 0.0167 0.82 0.26 0.00892 0.46 0.9063 0.9621 2066818 IFLab2_000157 CC(=O)Nc1ccc2n(C)c(=NC(=O)c3ccc(Br)s3)sc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 I10 compound treatment 0.247 0.0177 0.87 0.257 0.00592 0.3 0.8319 0.9009 1451270 IFLab2_000158 OC(c1cccs1)c2nccc3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 I11 compound treatment 0.245 0.0157 0.77 0.253 0.00192 0.1 0.6166 0.7912 2067608 IFLab2_000159 CCNc1nc(NCC)nc(SCC(=O)c2ccccc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 I12 compound treatment 0.261 0.0317 1.56 0.257 0.00592 0.3 1.3195 0.8295 1256364 IFLab2_000160 COCCn1c(C)cc(C(=O)CSc2ccc(Cl)cc2)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 I13 compound treatment 0.257 0.0277 1.36 0.266 0.0149 0.77 1.5078 0.9631 1130221 IFLab2_000161 OC(COc1ccccc1CC=C)CN2CCN(Cc3ccc4OCOc4c3)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 I14 compound treatment 0.237 0.0077 0.38 0.254 0.00292 0.15 0.3744 0.9181 2068116 IFLab2_000162 O=C(CSc1nnc2sc3ccccc3n12)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 I15 compound treatment 0.244 0.0147 0.72 0.25 -0.00108 -0.06 0.4726 0.651 2067868 IFLab2_000163 O=C(CSC1CCCCC1)N2CCCCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 I16 compound treatment 0.248 0.0187 0.92 0.253 0.00192 0.1 0.7211 0.7786 1714206 IFLab2_000164 OC(=O)c1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 I17 compound treatment 0.246 0.0167 0.82 0.27 0.0189 0.97 1.2703 0.9965 1133679 IFLab2_000165 CCOc1ccc(cc1)S(=O)(=O)N2CCN(CC2)c3ccc(F)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 I18 compound treatment 0.254 0.0247 1.22 0.273 0.0219 1.13 1.6581 0.9993 2068238 IFLab2_000166 O=C(Nc1ccccc1c2nc3ccccc3s2)C4=COCCO4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 I19 mock treatment 0.244 0.0147 0.72 0.253 0.00192 0.1 0.5818 0.7964 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 I20 mock treatment 0.241 0.0117 0.58 0.251 -7.78E-5 0.0 0.4045 0.7022 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 I21 mock treatment 0.236 0.0067 0.33 0.258 0.00692 0.36 0.4852 0.9993 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 I22 mock treatment 0.234 0.0047 0.23 0.256 0.00492 0.25 0.3428 0.999 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 I23 mock treatment 0.232 0.0027 0.13 0.256 0.00492 0.25 0.2731 0.9546 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 I24 mock treatment 0.219 -0.0103 -0.51 0.26 0.00892 0.46 -0.034 -0.0497 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 J01 compound treatment 0.217 -0.0123 -0.61 0.245 -0.00608 -0.31 -0.6497 -0.9527 2068284 IFLab2_000167 Cn1cnnc1SC2C(NS(=O)(=O)C)c3cccc4cccc2c34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 J02 compound treatment 0.228 -0.0013 -0.06 0.245 -0.00608 -0.31 -0.2666 -0.8348 1082165 IFLab2_000168 CC1(C)OC(=O)N(C1=C)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 J03 compound treatment 0.239 0.0097 0.48 0.253 0.00192 0.1 0.4077 0.8359 2068289 IFLab2_000169 CCOC(=O)c1ccsc1NC(=O)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 J04 compound treatment 0.239 0.0097 0.48 0.252 9.22E-4 0.05 0.3713 0.7736 2068869 IFLab2_000170 CC(NC(=O)CC1Nc2cc(C)c(C)cc2NC1=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 J05 compound treatment 0.24 0.0107 0.53 0.255 0.00392 0.2 0.5153 0.9133 2068309 IFLab2_000171 CC(=O)Nc1sc2CCCCc2c1C(N3CCN(CCO)CC3)c4ccccn4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 J06 compound treatment 0.272 0.0427 2.1 0.276 0.0249 1.28 2.3942 0.9719 2068871 IFLab2_000172 Cc1ccc(/N=C/2\NC(=O)\C(=C/c3cccs3)\S2)c(C)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 J07 compound treatment 0.223 -0.0063 -0.31 0.255 0.00392 0.2 -0.0767 -0.2072 1264560 IFLab2_000173 COC(=O)c1cc(Br)ccc1NC(=O)c2cc3ccccc3oc2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 J08 compound treatment 0.239 0.0097 0.48 0.259 0.00792 0.41 0.6261 0.9969 2068874 IFLab2_000174 Clc1ccc(cc1Cl)N2C(=O)/C(=C/c3cccs3)/SC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 J09 compound treatment 0.235 0.0057 0.28 0.248 -0.00308 -0.16 0.0864 0.268 1223953 IFLab2_000175 O=C(Nc1ccc(cc1)S(=O)(=O)N2CCCCC2)C3CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 J10 compound treatment 0.233 0.0037 0.18 0.247 -0.00408 -0.21 -0.0197 -0.0709 2068876 IFLab2_000176 FC(F)(F)S(=O)(=O)Nc1ccc(Br)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 J11 compound treatment 0.224 -0.0053 -0.26 0.253 0.00192 0.1 -0.1147 -0.4107 2068821 IFLab2_000177 CS(=O)(=O)NCC(O)Cn1c2ccccc2c3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 J12 compound treatment 0.24 0.0107 0.53 0.249 -0.00208 -0.11 0.2969 0.5523 1066538 IFLab2_000178 Cc1ccc(OCCC(=O)O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 J13 compound treatment 0.248 0.0187 0.92 0.248 -0.00308 -0.16 0.5391 0.577 2068823 IFLab2_000179 COc1ccc(cc1OC)c2nnc(SCC(=O)c3ccccc3)n2C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 J14 compound treatment 0.239 0.0097 0.48 0.253 0.00192 0.1 0.4077 0.8359 2068879 IFLab2_000180 Brc1cccc(c1)c2nnco2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 J15 compound treatment 0.227 -0.0023 -0.11 0.25 -0.00108 -0.06 -0.1195 -0.9459 1531370 IFLab2_000181 CC(C)CCOc1ccc(CN)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 J16 compound treatment 0.24 0.0107 0.53 0.246 -0.00508 -0.26 0.1877 0.3191 2068881 IFLab2_000182 CCOC(=O)c1ccc(CC2SC(=N)NC2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 J17 compound treatment 0.246 0.0167 0.82 0.269 0.0179 0.92 1.2339 0.9984 2068824 IFLab2_000183 COC(=O)C1=C(N)OC2=C(C1c3ccccc3)C(=O)CC(C)(C)C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 J18 compound treatment 0.236 0.0067 0.33 0.253 0.00192 0.1 0.3032 0.8805 2069118 IFLab2_000184 CCCS(=O)(=O)N1CCN=C1SCc2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 J19 mock treatment 0.225 -0.0043 -0.21 0.257 0.00592 0.3 0.0657 0.177 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 J20 mock treatment 0.225 -0.0043 -0.21 0.248 -0.00308 -0.16 -0.2619 -0.9897 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 J21 mock treatment 0.235 0.0057 0.28 0.255 0.00392 0.2 0.3412 0.987 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 J22 mock treatment 0.237 0.0077 0.38 0.248 -0.00308 -0.16 0.156 0.3797 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 J23 mock treatment 0.228 -0.0013 -0.06 0.252 9.22E-4 0.05 -0.0118 -0.1481 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 J24 mock treatment 0.226 -0.0033 -0.16 0.257 0.00592 0.3 0.1005 0.2909 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 K01 compound treatment 0.219 -0.0103 -0.51 0.244 -0.00708 -0.36 -0.6165 -0.9868 2065990 IFLab2_000185 CCN(CC)C(=O)C1(CC2CC3CC(Cl)(C2)C1)C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 K02 compound treatment 0.23 6.97E-4 0.03 0.258 0.00692 0.36 0.2762 0.7716 2068009 IFLab2_000186 O=C(CN1C(=O)/C(=C\c2cccs2)/SC1=S)N3CCN(CC3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 K03 compound treatment 0.233 0.0037 0.18 0.253 0.00192 0.1 0.1987 0.9589 1174306 IFLab2_000187 Oc1ccc(C(=O)Cc2cscn2)c(O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 K04 compound treatment 0.251 0.0217 1.07 0.265 0.0139 0.72 1.2624 0.9811 1313936 IFLab2_000188 COc1ccc2oc(=Nc3ccccc3)c(cc2c1)C(=O)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 K05 compound treatment 0.24 0.0107 0.53 0.253 0.00192 0.1 0.4425 0.8255 1170894 IFLab2_000189 COC(=O)C1=C(CCS1)NC(=O)C2CCCCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 K06 compound treatment 0.237 0.0077 0.38 0.252 9.22E-4 0.05 0.3016 0.7895 1417274 IFLab2_000190 O=C(Oc1ccc2ccc(=O)oc2c1)N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 K07 compound treatment 0.257 0.0277 1.36 0.27 0.0189 0.97 1.6534 0.9864 1287153 IFLab2_000191 CCC(=O)Nc1nnc(SCC(=O)Nc2ccccc2)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 K08 compound treatment 0.244 0.0147 0.72 0.259 0.00792 0.41 0.8002 0.9632 1312039 IFLab2_000192 CCCCn1c(nc2ccccc12)C3CN(C(=O)C3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 K09 compound treatment 0.241 0.0117 0.58 0.254 0.00292 0.15 0.5137 0.8628 2066861 IFLab2_000193 CC(=O)Nc1ccc2n(C)c(=NC(=O)c3ccc4ncsc4c3)sc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 K10 compound treatment 0.232 0.0027 0.13 0.256 0.00492 0.25 0.2731 0.9546 2068017 IFLab2_000194 CCOC(=O)c1ccc(N/C=C\2/C(=O)OC(=CC2=O)C)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 K11 compound treatment 0.239 0.0097 0.48 0.259 0.00792 0.41 0.6261 0.9969 1455353 IFLab2_000195 O=C(CSc1nc2ccccc2c(=O)n1c3ccccc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 K12 compound treatment 0.24 0.0107 0.53 0.256 0.00492 0.25 0.5517 0.9437 1258870 IFLab2_000196 O=C(CCN1CCCC1)Nc2ccc3OCOc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 K13 compound treatment 0.266 0.0367 1.81 0.265 0.0139 0.72 1.7848 0.918 1370921 IFLab2_000197 Cc1cc(OCC(O)CN2CCN(Cc3ccc4OCOc4c3)CC2)cc(C)c1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 K14 compound treatment 0.243 0.0137 0.67 0.251 -7.78E-5 0.0 0.4742 0.7029 1717975 IFLab2_000198 Cc1sc2ncnc(NCCc3ccc4OCCOc4c3)c2c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 K15 compound treatment 0.234 0.0047 0.23 0.256 0.00492 0.25 0.3428 0.999 2067881 IFLab2_000199 Cn1cnnc1SCC(=O)N2CCCCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 K16 compound treatment 0.246 0.0167 0.82 0.254 0.00292 0.15 0.6879 0.8228 1727653 IFLab2_000200 CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2ccc(O)c(c2)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 K17 compound treatment 0.26 0.0307 1.51 0.266 0.0149 0.77 1.6123 0.9507 1283413 IFLab2_000201 COc1c(Cl)c(Cl)ccc1S(=O)(=O)n2cnc3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 K18 compound treatment 0.257 0.0277 1.36 0.261 0.00992 0.51 1.3258 0.9102 2068275 IFLab2_000202 O=C(Nc1cccc(c1)c2nc3ccccc3o2)C4=COCCO4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 K19 mock treatment 0.227 -0.0023 -0.11 0.252 9.22E-4 0.05 -0.0466 -0.3793 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 K20 mock treatment 0.24 0.0107 0.53 0.249 -0.00208 -0.11 0.2969 0.5523 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 K21 mock treatment 0.23 6.97E-4 0.03 0.255 0.00392 0.2 0.167 0.8156 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 K22 mock treatment 0.246 0.0167 0.82 0.255 0.00392 0.2 0.7243 0.8553 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 K23 mock treatment 0.233 0.0037 0.18 0.254 0.00292 0.15 0.2351 0.9955 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 K24 mock treatment 0.226 -0.0033 -0.16 0.258 0.00692 0.36 0.1369 0.3496 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 L01 compound treatment 0.278 0.0487 2.4 0.288 0.0369 1.9 3.04 0.9934 2068322 IFLab2_000203 COc1ccc(cc1)c2ccc(o2)C3C(=C(N)OC4=C3C(=O)CCC4)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 L02 compound treatment 0.234 0.0047 0.23 0.254 0.00292 0.15 0.2699 0.9783 2068904 IFLab2_000204 CC(C)NC(CC(=O)Nc1cccc(C)c1)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 L03 compound treatment 0.25 0.0207 1.02 0.259 0.00792 0.41 1.0092 0.9192 2068328 IFLab2_000205 CCOC(=O)c1ccsc1NC(=O)c2ccco2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 L04 compound treatment 0.251 0.0217 1.07 0.256 0.00492 0.25 0.9348 0.8512 2068908 IFLab2_000206 COC(=O)c1ccc(/C=[N+](\[O-])/c2ccccc2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 L05 compound treatment 0.25 0.0207 1.02 0.253 0.00192 0.1 0.7908 0.7721 2068346 IFLab2_000207 CC(=O)Nc1sc2CCCCc2c1C(N3CCOCC3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 L06 compound treatment 0.237 0.0077 0.38 0.256 0.00492 0.25 0.4472 0.9808 2068910 IFLab2_000208 COc1cc(/C=C\2/S/C(=N/c3cccc(Cl)c3Cl)/NC2=O)cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 L07 compound treatment 0.225 -0.0043 -0.21 0.257 0.00592 0.3 0.0657 0.177 1719877 IFLab2_000209 COc1ccccc1N(CC(O)CN2C(C)CCCC2C)S(=O)(=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 L08 compound treatment 0.253 0.0237 1.17 0.26 0.00892 0.46 1.1501 0.9169 2068913 IFLab2_000210 Oc1ccccc1/C=N/c2c(c3ccccc3)c4cc(Br)ccc4[nH]c2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 L09 compound treatment 0.24 0.0107 0.53 0.261 0.00992 0.51 0.7337 0.9999 2068605 IFLab2_000211 COC(=O)c1c(NC(=O)C2CC2)sc3CCCCc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 L10 compound treatment 0.286 0.0567 2.79 0.293 0.0419 2.16 3.5006 0.9919 1428158 IFLab2_000212 CN(C)c1ccc(NC(=O)c2cc(nc3ccccc23)c4ccccc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 L11 compound treatment 0.252 0.0227 1.12 0.256 0.00492 0.25 0.9696 0.8459 1146217 IFLab2_000213 Clc1c(sc2cc(Cl)ccc12)C(=O)NCCN3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 L12 compound treatment 0.248 0.0187 0.92 0.255 0.00392 0.2 0.7939 0.8421 1072842 IFLab2_000214 COc1ccc(OCCC(=O)O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 L13 compound treatment 0.263 0.0337 1.66 0.268 0.0169 0.87 1.7896 0.9547 2068859 IFLab2_000215 Clc1ccc(cc1)c2csc3ncnn23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 L14 compound treatment 0.243 0.0137 0.67 0.256 0.00492 0.25 0.6562 0.9106 2068916 IFLab2_000216 Cc1ccc(cc1)c2nnco2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 L15 compound treatment 0.243 0.0137 0.67 0.259 0.00792 0.41 0.7654 0.971 2068855 IFLab2_000217 CCOC(=O)Cn1c2ccc(Cl)cc2c3nc4ccccc4nc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 L16 compound treatment 0.256 0.0267 1.31 0.253 0.00192 0.1 0.9997 0.7582 1877847 IFLab2_000218 OC(=O)c1ccc(CC2SC(=O)NC2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 L17 compound treatment 0.315 0.0857 4.22 0.318 0.0669 3.45 5.4207 0.9949 2068860 IFLab2_000219 NC1=C(C#N)C(c2cccnc2)c3ccc(N)cc3O1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 L18 compound treatment 0.247 0.0177 0.87 0.256 0.00492 0.25 0.7955 0.8764 2069141 IFLab2_000220 CS(=O)(=O)N1CCN=C1SCc2cccc(F)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 L19 mock treatment 0.246 0.0167 0.82 0.253 0.00192 0.1 0.6515 0.7865 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 L20 mock treatment 0.244 0.0147 0.72 0.253 0.00192 0.1 0.5818 0.7964 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 L21 mock treatment 0.238 0.0087 0.43 0.256 0.00492 0.25 0.4821 0.9686 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 L22 mock treatment 0.233 0.0037 0.18 0.255 0.00392 0.2 0.2715 0.9987 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 L23 mock treatment 0.235 0.0057 0.28 0.259 0.00792 0.41 0.4868 0.9833 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 L24 mock treatment 0.222 -0.0073 -0.36 0.252 9.22E-4 0.05 -0.2208 -0.6085 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 M01 compound treatment 0.222 -0.0073 -0.36 0.246 -0.00508 -0.26 -0.4392 -0.9877 2066008 IFLab2_000221 NC(=O)C1(CC2CC3CC(Cl)(C2)C1)C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 M02 compound treatment 0.24 0.0107 0.53 0.262 0.0109 0.56 0.7701 0.9995 2068024 IFLab2_000222 O=C(CN1C(=O)/C(=C\c2cccs2)/SC1=S)N(Cc3ccccc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 M03 compound treatment 0.236 0.0067 0.33 0.253 0.00192 0.1 0.3032 0.8805 3176014 IFLab2_000223 CC[n+]1c(C)scc1c2c(C)oc3cc(O)ccc3c2=O.Cc1ccc(cc1)S(=O)(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 M04 compound treatment 0.252 0.0227 1.12 0.259 0.00792 0.41 1.0788 0.9066 1459734 IFLab2_000224 CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c3cccc(Cl)c3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 M05 compound treatment 0.243 0.0137 0.67 0.251 -7.78E-5 0.0 0.4742 0.7029 1703708 IFLab2_000225 COC(=O)C1=C(CCS1)NC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 M06 compound treatment 0.245 0.0157 0.77 0.257 0.00592 0.3 0.7622 0.9172 1660049 IFLab2_000226 CC(=O)Oc1ccc(cc1)N(C(=O)C)S(=O)(=O)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 M07 compound treatment 0.24 0.0107 0.53 0.253 0.00192 0.1 0.4425 0.8255 1590861 IFLab2_000227 CC(C)C(=O)Nc1nnc(SCC(=O)Nc2ccccc2)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 M08 compound treatment 0.256 0.0267 1.31 0.263 0.0119 0.61 1.3638 0.9398 1277840 IFLab2_000228 O=C1CC(CN1c2ccccc2)c3nc4ccccc4[nH]3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 M09 compound treatment 0.29 0.0607 2.99 0.291 0.0399 2.06 3.5671 0.9833 2066904 IFLab2_000229 Brc1cccc(c1)c2nnc3sc(CNCc4ccco4)cn23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 M10 compound treatment 0.249 0.0197 0.97 0.254 0.00292 0.15 0.7923 0.8071 1548974 IFLab2_000230 COc1ccc(NC(c2c(C)[nH]c3ccccc23)c4ccccn4)c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 M11 compound treatment 0.331 0.102 5.01 0.334 0.0829 4.27 6.5604 0.9968 2067638 IFLab2_000231 CC(C)c1ccc(/C=C/2\C(=O)Nc3ccccc23)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 M12 compound treatment 0.236 0.0067 0.33 0.26 0.00892 0.46 0.558 0.9868 2068143 IFLab2_000232 O=C(CSc1nnc2sc3ccccc3n12)N4CCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 M13 compound treatment 0.267 0.0377 1.86 0.261 0.00992 0.51 1.6741 0.8693 1147315 IFLab2_000233 CC(C)(C)c1ccccc1OCC(O)CN2CCN(Cc3ccc4OCOc4c3)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 M14 compound treatment 0.248 0.0187 0.92 0.256 0.00492 0.25 0.8303 0.8694 1709494 IFLab2_000234 OC(=O)C(Cc1ccccc1)NS(=O)(=O)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 M15 compound treatment 0.235 0.0057 0.28 0.254 0.00292 0.15 0.3048 0.9573 1361158 IFLab2_000235 O=C(CSC1CCCCC1)N2CCOCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 M16 compound treatment 0.242 0.0127 0.63 0.256 0.00492 0.25 0.6214 0.9209 1188701 IFLab2_000236 OC(=O)c1cc(NS(=O)(=O)c2ccc(Br)cc2)ccc1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 M17 compound treatment 0.251 0.0217 1.07 0.265 0.0139 0.72 1.2624 0.9811 1472099 IFLab2_000237 Cc1ccc2cccc(OC(=O)c3ccccc3F)c2n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 M18 compound treatment 0.261 0.0317 1.56 0.265 0.0139 0.72 1.6107 0.9376 2068311 IFLab2_000238 CSc1nc2ccc3nc(NC(=O)C4=COCCO4)sc3c2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 M19 mock treatment 0.235 0.0057 0.28 0.255 0.00392 0.2 0.3412 0.987 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 M20 mock treatment 0.241 0.0117 0.58 0.249 -0.00208 -0.11 0.3317 0.5661 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 M21 mock treatment 0.237 0.0077 0.38 0.252 9.22E-4 0.05 0.3016 0.7895 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 M22 mock treatment 0.238 0.0087 0.43 0.251 -7.78E-5 0.0 0.3 0.7005 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 M23 mock treatment 0.237 0.0077 0.38 0.254 0.00292 0.15 0.3744 0.9181 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 M24 mock treatment 0.215 -0.0143 -0.7 0.252 9.22E-4 0.05 -0.4646 -0.658 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 N01 compound treatment 0.219 -0.0103 -0.51 0.248 -0.00308 -0.16 -0.4709 -0.8857 2068358 IFLab2_000239 N/C(=N\S(=O)(=O)c1ccc(Cl)s1)/c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 N02 compound treatment 0.234 0.0047 0.23 0.25 -0.00108 -0.06 0.1243 0.5227 2068940 IFLab2_000240 CC(C)NC(CC(=O)Nc1ccccc1Cl)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 N03 compound treatment 0.241 0.0117 0.58 0.254 0.00292 0.15 0.5137 0.8628 2068363 IFLab2_000241 CCOC(=O)c1ccsc1NC(=O)C2CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 N04 compound treatment 0.24 0.0107 0.53 0.251 -7.78E-5 0.0 0.3697 0.7017 2068944 IFLab2_000242 CCOC(=O)CSc1nc2ccccc2c(=O)[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 N05 compound treatment 0.246 0.0167 0.82 0.251 -7.78E-5 0.0 0.5787 0.7037 2068384 IFLab2_000243 CC(=O)Nc1sc2CCCCc2c1CN3CCc4ccccc4C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 N06 compound treatment 0.262 0.0327 1.61 0.259 0.00792 0.41 1.4271 0.8591 2068946 IFLab2_000244 Clc1cccc(NC2=NC(=O)/C(=C\c3cccs3)/S2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 N07 compound treatment 0.256 0.0267 1.31 0.262 0.0109 0.56 1.3274 0.9282 2068622 IFLab2_000245 CCOC(=O)/C(=C\1/Sc2ccccc2N1C)/C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 N08 compound treatment 0.261 0.0317 1.56 0.261 0.00992 0.51 1.4651 0.8919 2068950 IFLab2_000246 OC(=O)Cn1c2ccc(Cl)cc2c3nc4ccccc4nc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 N09 compound treatment 0.244 0.0147 0.72 0.249 -0.00208 -0.11 0.4362 0.5961 1191156 IFLab2_000247 O=C(Nc1ccc(cc1)S(=O)(=O)N2CCCC2)C3CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 N10 compound treatment 0.254 0.0247 1.22 0.257 0.00592 0.3 1.0757 0.8578 1550348 IFLab2_000248 CCN1CCN(CC1)C(=O)c2cc(nc3ccccc23)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 N11 compound treatment 0.24 0.0107 0.53 0.257 0.00592 0.3 0.5881 0.9662 2068891 IFLab2_000249 CCOC(=O)c1ccc2nc(nc(Cl)c2c1)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 N12 compound treatment 0.241 0.0117 0.58 0.252 9.22E-4 0.05 0.4409 0.7628 2068951 IFLab2_000250 Cc1cccc(OCCC(=O)O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 N13 compound treatment 0.255 0.0257 1.27 0.259 0.00792 0.41 1.1833 0.8899 2068896 IFLab2_000251 c1sc2nc(nn2c1c3ccccc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 N14 compound treatment 0.236 0.0067 0.33 0.263 0.0119 0.61 0.6672 0.9576 1052523 IFLab2_000252 Oc1ccccc1c2nnco2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 N15 compound treatment 0.246 0.0167 0.82 0.255 0.00392 0.2 0.7243 0.8553 2068892 IFLab2_000253 COc1ccc(Cn2c(=O)oc3ccccc23)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 N16 compound treatment 0.261 0.0317 1.56 0.267 0.0159 0.82 1.6835 0.9548 2068954 IFLab2_000254 Cc1ccc(cc1C)C2=CC(=O)C=CC2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 N17 compound treatment 0.252 0.0227 1.12 0.267 0.0159 0.82 1.3701 0.9884 2068897 IFLab2_000255 CCOC(=O)C1=C(C)OC(=C(C#N)C1c2cccnc2)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 N18 compound treatment 0.242 0.0127 0.63 0.251 -7.78E-5 0.0 0.4394 0.7026 2069165 IFLab2_000256 CCS(=O)(=O)N1CCN=C1SCc2cccc(F)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 N19 mock treatment 0.235 0.0057 0.28 0.254 0.00292 0.15 0.3048 0.9573 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 N20 mock treatment 0.242 0.0127 0.63 0.248 -0.00308 -0.16 0.3301 0.5118 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 N21 mock treatment 0.227 -0.0023 -0.11 0.255 0.00392 0.2 0.0626 0.2701 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 N22 mock treatment 0.229 -3.03E-4 -0.01 0.247 -0.00408 -0.21 -0.159 -0.7555 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 N23 mock treatment 0.235 0.0057 0.28 0.255 0.00392 0.2 0.3412 0.987 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 N24 mock treatment 0.219 -0.0103 -0.51 0.254 0.00292 0.15 -0.2525 -0.477 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 O01 compound treatment 0.203 -0.0263 -1.3 0.24 -0.0111 -0.57 -1.3193 -0.9321 2065893 IFLab2_000257 CN(C)C(=O)C1(CC2(C)CC3(C)CC(C)(C2)C1)C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 O02 compound treatment 0.257 0.0277 1.36 0.281 0.0299 1.54 2.0538 0.9982 2068041 IFLab2_000258 COc1ccccc1NC(=O)CCCN2C(=O)/C(=C\c3ccco3)/SC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 O03 compound treatment 0.226 -0.0033 -0.16 0.257 0.00592 0.3 0.1005 0.2909 1565369 IFLab2_000259 COc1cc(C)c2c(=O)c(coc2c1)c3csc(C)n3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 O04 compound treatment 0.272 0.0427 2.1 0.296 0.0449 2.31 3.1223 0.9989 1280637 IFLab2_000260 Cc1ccc(NC(=O)CSC2=C(C#N)C(C3=C(CCCC3=O)N2)c4ccc(C)cc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 O05 compound treatment 0.25 0.0207 1.02 0.256 0.00492 0.25 0.9 0.8568 1410281 IFLab2_000261 CCCCC(=O)NC1=C(SCC1)C(=O)OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 O06 compound treatment 0.234 0.0047 0.23 0.261 0.00992 0.51 0.5248 0.9358 2068051 IFLab2_000262 NC(=O)CCn1cnc2ccccc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 O07 compound treatment 0.244 0.0147 0.72 0.267 0.0159 0.82 1.0914 0.9981 1577132 IFLab2_000263 O=C(CSc1nnc(NC(=O)Cc2ccccc2)s1)Nc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 O08 compound treatment 0.26 0.0307 1.51 0.27 0.0189 0.97 1.7579 0.9774 1136508 IFLab2_000264 C(Cn1c(nc2ccccc12)c3ccco3)Oc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 O09 compound treatment 0.23 6.97E-4 0.03 0.247 -0.00408 -0.21 -0.1242 -0.5838 2066948 IFLab2_000265 CC1CCCCN1Cc2cn3c(nnc3s2)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 O10 compound treatment 0.233 0.0037 0.18 0.252 9.22E-4 0.05 0.1623 0.8626 1334590 IFLab2_000266 Cc1cc(NC(c2c(C)[nH]c3ccccc23)c4ccccn4)no1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 O11 compound treatment 0.223 -0.0063 -0.31 0.25 -0.00108 -0.06 -0.2588 -0.8205 2067684 IFLab2_000267 COc1ccc(NC(=O)CSc2nnc(C)n2c3ccccc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 O12 compound treatment 0.23 6.97E-4 0.03 0.254 0.00292 0.15 0.1306 0.8466 1523217 IFLab2_000268 CC(=O)Nc1ccc(OCc2c(C)noc2C)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 O13 compound treatment 0.247 0.0177 0.87 0.251 -7.78E-5 0.0 0.6135 0.7039 1192690 IFLab2_000269 OC(=O)c1cccc(c1)c2ccc(O)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 O14 compound treatment 0.3 0.0707 3.48 0.304 0.0529 2.72 4.3886 0.9926 1725286 IFLab2_000270 C(Nc1nnc(c2cccs2)c3ccccc13)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 O15 compound treatment 0.235 0.0057 0.28 0.254 0.00292 0.15 0.3048 0.9573 1152963 IFLab2_000271 O=C(CSC1CCCCC1)N2CCCCCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 O16 compound treatment 0.263 0.0337 1.66 0.263 0.0119 0.61 1.6075 0.9085 2068167 IFLab2_000272 Oc1ccc(NS(=O)(=O)c2cccs2)cc1c3c(O)ccc4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 O17 compound treatment 0.237 0.0077 0.38 0.257 0.00592 0.3 0.4836 0.9942 2067908 IFLab2_000273 CN(C)C(=S)SCN1CCCC1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 O18 compound treatment 0.241 0.0117 0.58 0.262 0.0109 0.56 0.805 0.9999 2068348 IFLab2_000274 COc1cccc2sc(=NC(=O)C3=COCCO3)n(C)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 O19 mock treatment 0.219 -0.0103 -0.51 0.252 9.22E-4 0.05 -0.3253 -0.6382 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 O20 mock treatment 0.23 6.97E-4 0.03 0.25 -0.00108 -0.06 -0.015 -0.2295 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 O21 mock treatment 0.225 -0.0043 -0.21 0.252 9.22E-4 0.05 -0.1163 -0.5354 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 O22 mock treatment 0.236 0.0067 0.33 0.255 0.00392 0.2 0.376 0.9723 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 O23 mock treatment 0.227 -0.0023 -0.11 0.254 0.00292 0.15 0.0262 0.1388 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 O24 mock treatment 0.209 -0.0203 -1.0 0.24 -0.0111 -0.57 -1.1104 -0.9645 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 P01 compound treatment 0.19 -0.0393 -1.94 0.208 -0.0431 -2.22 -2.937 -0.9977 2068397 IFLab2_000275 O=S(=O)(/N=C(\NC#N)/c1ccccc1)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 P02 compound treatment 0.209 -0.0203 -1.0 0.235 -0.0161 -0.83 -1.2924 -0.9956 2068976 IFLab2_000276 COc1ccc(NC(=O)CC(NC(C)c2ccccc2)C(=O)O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 P03 compound treatment 0.228 -0.0013 -0.06 0.247 -0.00408 -0.21 -0.1938 -0.883 2068402 IFLab2_000277 CCOC(=O)c1ccsc1NC(=O)CC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 P04 compound treatment 0.212 -0.0173 -0.85 0.245 -0.00608 -0.31 -0.8239 -0.9075 2068980 IFLab2_000278 OCCNC(=O)CSc1nc2ccccc2c(=O)[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 P05 compound treatment 0.258 0.0287 1.41 0.27 0.0189 0.97 1.6882 0.9835 2068419 IFLab2_000279 Cc1sc(NC(=O)c2ccco2)c(C(N3CCCCC3)c4cccnc4)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 P06 compound treatment 0.293 0.0637 3.14 0.314 0.0629 3.24 4.5089 0.9999 2068981 IFLab2_000280 Brc1ccccc1NC2=NC(=O)/C(=C\c3cccs3)/S2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 P07 compound treatment 0.244 0.0147 0.72 0.254 0.00292 0.15 0.6182 0.8362 2068656 IFLab2_000281 CC(C)CCNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 P08 compound treatment 0.238 0.0087 0.43 0.247 -0.00408 -0.21 0.1544 0.3238 2068984 IFLab2_000282 Cc1ccc2oc(=O)n(CCOc3ccccc3)c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 P09 compound treatment 0.236 0.0067 0.33 0.257 0.00592 0.3 0.4488 0.9992 2068670 IFLab2_000283 Cc1cc(C)nc(SCCS(=O)(=O)Cc2ccc(Cl)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 P10 compound treatment 0.244 0.0147 0.72 0.249 -0.00208 -0.11 0.4362 0.5961 2068985 IFLab2_000284 O=C/1/C(=C/c2cccnc2)/CCCC\C1=C/c3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 P11 compound treatment 0.226 -0.0033 -0.16 0.245 -0.00608 -0.31 -0.3363 -0.9536 2068926 IFLab2_000285 O=C(/N=C/1\SC2CS(=O)(=O)CC2N1c3ccccc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 P12 compound treatment 0.22 -0.0093 -0.46 0.245 -0.00608 -0.31 -0.5453 -0.9827 1321283 IFLab2_000286 OC(=O)Cn1c(Cc2ccccc2)nc3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 P13 compound treatment 0.242 0.0127 0.63 0.26 0.00892 0.46 0.767 0.9885 2068932 IFLab2_000287 COc1ccc(cc1)c2nc3scc(c4ccccc4)n3n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 P14 compound treatment 0.231 0.0017 0.08 0.248 -0.00308 -0.16 -0.053 -0.2956 2068987 IFLab2_000288 C(Sc1nnc(o1)c2ccccc2)c3cn4ccccc4n3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 P15 compound treatment 0.222 -0.0073 -0.36 0.245 -0.00608 -0.31 -0.4756 -0.9976 2068927 IFLab2_000289 O=c1oc2ccccc2n1CCOc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 P16 compound treatment 0.258 0.0287 1.41 0.265 0.0139 0.72 1.5062 0.9505 2068989 IFLab2_000290 Cc1ccc(cc1C)c2cc(O)cc3sc(=O)oc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 P17 compound treatment 0.262 0.0327 1.61 0.283 0.0319 1.64 2.3008 0.9999 2068933 IFLab2_000291 O=C(Nc1ccc(cc1)S(=O)(=O)Nc2nccs2)/C=C/c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 P18 compound treatment 0.222 -0.0073 -0.36 0.232 -0.0191 -0.98 -0.9488 -0.9072 2069191 IFLab2_000292 Fc1ccc(CSC2=NCCN2S(=O)(=O)c3ccc(F)cc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 P19 mock treatment 0.22 -0.0093 -0.46 0.245 -0.00608 -0.31 -0.5453 -0.9827 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 P20 mock treatment 0.22 -0.0093 -0.46 0.246 -0.00508 -0.26 -0.5089 -0.9646 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 P21 mock treatment 0.224 -0.0053 -0.26 0.237 -0.0141 -0.72 -0.6972 -0.905 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 P22 mock treatment 0.27 0.0407 2.0 0.232 -0.0191 -0.98 0.7229 0.3238 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 P23 mock treatment 0.206 -0.0233 -1.15 0.237 -0.0141 -0.72 -1.3241 -0.9754 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.1459 P24 mock treatment 0.182 -0.0473 -2.33 0.207 -0.0441 -2.27 -3.252 -0.9999 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 A01 compound treatment 0.203 -0.0443 -2.18 0.187 -0.0614 -3.16 -3.7756 -0.9836 1970257 ChemDiv1_000001 CCCCOc1ccc(OCCCC)c2NC3(Nc21)C(=O)N(C(=O)C)c4ccccc43 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 A02 compound treatment 0.235 -0.0123 -0.6 0.234 -0.0144 -0.74 -0.9503 -0.9951 1279657 ChemDiv1_000002 O=S(=O)(NCCN1CCCC1)c2cccc3nsnc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 A03 compound treatment 0.236 -0.0113 -0.56 0.244 -0.00435 -0.22 -0.5514 -0.9203 1970258 ChemDiv1_000003 COc1cccc(c1)C(=O)N(CCCN2C(=O)c3cccc4cccc(C2=O)c34)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 A04 compound treatment 0.238 -0.00928 -0.46 0.235 -0.0134 -0.69 -0.8094 -0.9803 1066415 ChemDiv1_000004 O=C1Nc2ccccc2C31OCCO3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 A05 compound treatment 0.239 -0.00828 -0.41 0.24 -0.00835 -0.43 -0.5925 -0.9996 1223758 ChemDiv1_000005 COc1ccc(cc1)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 A06 compound treatment 0.242 -0.00528 -0.26 0.239 -0.00935 -0.48 -0.5245 -0.9582 1970259 ChemDiv1_000006 [O-][N+](=O)c1c(ccc2C(=O)c3ccccc3C(=O)c12)C(=O)Nc4cccc(Br)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 A07 compound treatment 0.242 -0.00528 -0.26 0.248 -3.55E-4 -0.02 -0.1968 -0.7549 1430964 ChemDiv1_000007 OC(=O)CN1C(=O)c2ccccc2S1(=O)=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 A08 compound treatment 0.247 -2.81E-4 -0.01 0.246 -0.00235 -0.12 -0.0955 -0.7828 1011615 ChemDiv1_000008 OC(=O)CSc1nc2ccccc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 A09 compound treatment 0.246 -0.00128 -0.06 0.228 -0.0204 -1.05 -0.7856 -0.7483 1970260 ChemDiv1_000009 CCOc1ccc(CC2S/C(=N\c3ccccn3)/NC2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 A10 compound treatment 0.248 7.19E-4 0.04 0.242 -0.00635 -0.33 -0.2063 -0.6269 1970261 ChemDiv1_000010 CCCCOc1ccc(cc1)C(=O)Nc2ccc(O)c(c2)c3nc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 A11 compound treatment 0.241 -0.00628 -0.31 0.235 -0.0134 -0.69 -0.7049 -0.935 1970262 ChemDiv1_000011 CCOc1ccc(cc1)N(CC(=O)NCCSc2ccccn2)S(=O)(=O)c3ccc(SC)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 A12 compound treatment 0.25 0.00272 0.13 0.25 0.00165 0.08 0.1546 0.9756 1940305 ChemDiv1_000012 OC(=O)CN1C(=O)/C(=C\c2ccc(o2)c3cccc4C(=O)c5ccccc5C(=O)c34)/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 A13 compound treatment 0.321 0.0737 3.63 0.339 0.0906 4.67 5.8671 0.9923 1138293 ChemDiv1_000013 COc1ccc2occ(C(=O)c3oc4ccccc4c3N)c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 A14 compound treatment 0.236 -0.0113 -0.56 0.253 0.00465 0.24 -0.2238 -0.37 1970263 ChemDiv1_000014 [O-][N+](=O)c1cccc2C(=O)N(CCc3c[nH]c4ccc(OCc5ccccc5)cc34)C(=O)c21 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 A15 compound treatment 0.246 -0.00128 -0.06 0.233 -0.0154 -0.79 -0.6036 -0.7611 1970264 ChemDiv1_000015 FC(F)(F)Oc1ccc2n(Cc3ccccn3)c4nc5ccccc5nc4c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 A16 compound treatment 0.245 -0.00228 -0.11 0.24 -0.00835 -0.43 -0.3836 -0.8629 1254645 ChemDiv1_000016 Cc1cccc(c1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nc(C)cc(C)n3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 A17 compound treatment 0.237 -0.0103 -0.51 0.238 -0.0104 -0.53 -0.735 -0.9997 1970265 ChemDiv1_000017 CCCCCCCCc1ccc(cc1)c2ccc(cc2)C(=O)Nc3ccc(O)c4C(=O)c5ccccc5C(=O)c34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 A18 compound treatment 0.24 -0.00728 -0.36 0.246 -0.00235 -0.12 -0.3393 -0.8963 1970266 ChemDiv1_000018 CCOc1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OC)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 A19 compound treatment 0.238 -0.00928 -0.46 0.241 -0.00735 -0.38 -0.591 -0.9956 1125404 ChemDiv1_000019 OC(=O)c1cc(Br)ccc1NS(=O)(=O)c2cccc3nsnc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 A20 compound treatment 0.239 -0.00828 -0.41 0.243 -0.00535 -0.28 -0.4833 -0.9818 1181611 ChemDiv1_000020 CCSc1nnc(NC(=O)c2cccc(n2)C(=O)Nc3nnc(SCC)s3)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 A21 compound treatment 0.239 -0.00828 -0.41 0.235 -0.0134 -0.69 -0.7746 -0.9689 1401741 ChemDiv1_000021 OC(=O)c1ccc2OCCOc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 A22 compound treatment 0.24 -0.00728 -0.36 0.227 -0.0214 -1.1 -1.031 -0.8915 1555020 ChemDiv1_000022 COc1ccc2n(C(=O)C)c3nc4cc5ccccc5cc4nc3c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 A23 mock treatment 0.247 -2.81E-4 -0.01 0.247 -0.00135 -0.07 -0.0591 -0.8313 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 A24 mock treatment 0.225 -0.0223 -1.1 0.201 -0.0474 -2.44 -2.4998 -0.935 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 B01 compound treatment 0.234 -0.0133 -0.65 0.248 -3.55E-4 -0.02 -0.4755 -0.7266 1918036 ChemDiv1_000023 Fc1cccc(c1)N2N=C(CC2c3cccs3)/C=C/c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 B02 compound treatment 0.254 0.00672 0.33 0.254 0.00565 0.29 0.4395 0.9979 1970267 ChemDiv1_000024 [O-][N+](=O)c1ccccc1C2CC(=NN2C(=O)c3ccccc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 B03 compound treatment 0.258 0.0107 0.53 0.262 0.0136 0.7 0.87 0.9901 1683926 ChemDiv1_000025 Cc1nc2sc(C(=O)Nc3ccc(Br)cc3)c(N)c2c(C)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 B04 compound treatment 0.256 0.00872 0.43 0.258 0.00965 0.5 0.6548 0.9974 1931087 ChemDiv1_000026 CCc1c(C#N)c(N)nc(SCC(=O)c2ccc(Cl)c(Cl)c2)c1C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 B05 compound treatment 0.269 0.0217 1.07 0.271 0.0226 1.17 1.5807 0.9991 1970268 ChemDiv1_000027 CN(C)c1ccc(/C=C\2/S/C(=N/c3ccccc3Cl)/NC2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 B06 compound treatment 0.255 0.00772 0.38 0.251 0.00265 0.14 0.3651 0.9041 1408583 ChemDiv1_000028 CC(C)OC(=O)CSc1nc2CCCCc2c(c1C#N)c3ccc(O)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 B07 compound treatment 0.258 0.0107 0.53 0.26 0.0116 0.6 0.7972 0.998 1228728 ChemDiv1_000029 O=C(Nc1ccccc1c2nc3ccccc3[nH]2)c4ccc(cc4)S(=O)(=O)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 B08 compound treatment 0.263 0.0157 0.77 0.263 0.0146 0.75 1.0806 0.9999 1970269 ChemDiv1_000030 Brc1ccc(Cn2c3ccccc3c4nc5cc6ccccc6cc5nc24)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 B09 compound treatment 0.255 0.00772 0.38 0.259 0.0106 0.55 0.6563 0.984 1970270 ChemDiv1_000031 [O-][N+](=O)c1cccc(NC(=O)c2ccc(Br)c(c2)S(=O)(=O)Nc3ccc(Cl)cc3)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 B10 compound treatment 0.256 0.00872 0.43 0.257 0.00865 0.45 0.6184 0.9998 1970271 ChemDiv1_000032 [O-][N+](=O)c1cc2OCOc2cc1/C=C\3/S/C(=N\c4ccccc4)/NC3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 B11 compound treatment 0.268 0.0207 1.02 0.277 0.0286 1.47 1.7643 0.9838 1970272 ChemDiv1_000033 Nc1ccc(cc1)C(=O)Nc2ccc(cc2)c3nc4ccc(NC(=O)c5ccc(N)cc5)cc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 B12 compound treatment 0.258 0.0107 0.53 0.252 0.00365 0.19 0.506 0.9031 1516240 ChemDiv1_000034 COc1cc2ccccc2cc1C(=O)Nc3ccccc3c4nc5ccccc5[nH]4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 B13 compound treatment 0.26 0.0127 0.63 0.266 0.0176 0.91 1.0853 0.9835 1561584 ChemDiv1_000035 O=C(CN1C(=O)C2(OCCO2)c3ccccc13)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 B14 compound treatment 0.264 0.0167 0.82 0.268 0.0196 1.01 1.2974 0.9948 1970273 ChemDiv1_000036 CCC(=O)N1N=C(CC1c2cccc(c2)[N+](=O)[O-])c3c(c4ccccc4)c5cc(Br)ccc5[nH]c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 B15 compound treatment 0.256 0.00872 0.43 0.261 0.0126 0.65 0.764 0.9796 1970274 ChemDiv1_000037 Cc1nc(Nc2ccccc2)nc(Nc3ccccc3)c1[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 B16 compound treatment 0.312 0.0647 3.19 0.309 0.0606 3.12 4.4616 0.9999 1970275 ChemDiv1_000038 COc1ccc(cc1)N2C(=O)/C(=C/c3ccc(N(C)C)c(c3)[N+](=O)[O-])/C(=O)NC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 B17 compound treatment 0.325 0.0777 3.83 0.33 0.0816 4.2 5.6788 0.9989 1938052 ChemDiv1_000039 CCOc1ccc(/C=C\2/SC(=S)N(CC(=O)O)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 B18 compound treatment 0.259 0.0117 0.58 0.257 0.00865 0.45 0.7228 0.9918 1970276 ChemDiv1_000040 COc1ccc(OC)c(c1)C2NC(=O)NC(=C2C(=O)OCC(F)(F)C(F)(F)F)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 B19 compound treatment 0.259 0.0117 0.58 0.258 0.00965 0.5 0.7592 0.9972 1970277 ChemDiv1_000041 CCCCc1ccc(cc1)C(=O)Nc2ccc(NC(=O)c3ccc(CCCC)cc3)c4C(=O)c5ccccc5C(=O)c24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 B20 compound treatment 0.256 0.00872 0.43 0.254 0.00565 0.29 0.5091 0.9819 1650436 ChemDiv1_000042 Cc1nc2ccc(NC(=O)c3ccc(C#N)cc3)cc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 B21 compound treatment 0.254 0.00672 0.33 0.256 0.00765 0.39 0.5123 0.9963 1970278 ChemDiv1_000043 OCCNC(=S)Nc1cccc(c1)c2nnc(S)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 B22 compound treatment 0.248 7.19E-4 0.04 0.252 0.00365 0.19 0.1577 0.8259 1127499 ChemDiv1_000044 CCOC(=O)c1c(oc2c1cc(OC(=O)C(C)(C)C)c3ccccc23)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 B23 mock treatment 0.249 0.00172 0.08 0.253 0.00465 0.24 0.229 0.9025 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 B24 mock treatment 0.243 -0.00428 -0.21 0.224 -0.0244 -1.25 -1.0357 -0.8146 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 C01 compound treatment 0.221 -0.0263 -1.29 0.235 -0.0134 -0.69 -1.4014 -0.9562 1512828 ChemDiv1_000045 COc1ccc2[nH]c3C(=O)NCCc3c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 C02 compound treatment 0.239 -0.00828 -0.41 0.243 -0.00535 -0.28 -0.4833 -0.9818 1711661 ChemDiv1_000046 O=S(=O)(N(CCC#N)CCN1CCCC1)c2cccc3nsnc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 C03 compound treatment 0.244 -0.00328 -0.16 0.24 -0.00835 -0.43 -0.4184 -0.9106 1280699 ChemDiv1_000047 Cc1ccc(c2nsnc12)S(=O)(=O)NCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 C04 compound treatment 0.237 -0.0103 -0.51 0.242 -0.00635 -0.33 -0.5894 -0.9777 1970279 ChemDiv1_000048 CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc3ccc(cc3)N(CCCl)CCCl)NC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 C05 compound treatment 0.24 -0.00728 -0.36 0.245 -0.00335 -0.17 -0.3757 -0.9439 1915748 ChemDiv1_000049 CCN(CC)CCCC(C)Nc1nc(C)nc2cc(Cl)ccc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 C06 compound treatment 0.247 -2.81E-4 -0.01 0.247 -0.00135 -0.07 -0.0591 -0.8313 1970280 ChemDiv1_000050 Nc1c(Sc2ccccc2)cc(Sc3ccccc3)c4C(=O)c5ccccc5C(=O)c14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 C07 compound treatment 0.243 -0.00428 -0.21 0.246 -0.00235 -0.12 -0.2348 -0.9655 1970281 ChemDiv1_000051 COC(=O)CSc1nnc(COc2ccccc2)o1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 C08 compound treatment 0.252 0.00472 0.23 0.255 0.00665 0.34 0.4062 0.9823 1058173 ChemDiv1_000052 COC(=O)Nc1nc2ccccc2[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 C09 compound treatment 0.254 0.00672 0.33 0.262 0.0136 0.7 0.7307 0.941 1970282 ChemDiv1_000053 NS(=O)(=O)c1ccc(O)c(c1)N2C(=O)c3cccc4c(ccc(C2=O)c34)C(=O)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 C10 compound treatment 0.253 0.00572 0.28 0.252 0.00365 0.19 0.3319 0.9805 1970283 ChemDiv1_000054 CCCCOc1ccc(cc1)C(=O)Nc2ccc3nc(C)sc3c2Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 C11 compound treatment 0.357 0.11 5.4 0.351 0.103 5.28 7.5577 0.9999 1970284 ChemDiv1_000055 OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CNc3c4ccccc4nc5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 C12 compound treatment 0.246 -0.00128 -0.06 0.25 0.00165 0.08 0.0153 0.1445 1970285 ChemDiv1_000056 COc1ccccc1N(CCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 C13 compound treatment 0.287 0.0397 1.96 0.28 0.0316 1.63 2.5352 0.9959 1970286 ChemDiv1_000057 CC1CCc2cc(F)ccc2N1C(=O)Cn3c4ccccc4c(=O)c5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 C14 compound treatment 0.268 0.0207 1.02 0.262 0.0136 0.7 1.2183 0.9834 1970287 ChemDiv1_000058 CCN(CC)CCOC(=O)c1ccc2nc(NC(=O)c3ccc(cc3)C(=O)OC)sc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 C15 compound treatment 0.244 -0.00328 -0.16 0.245 -0.00335 -0.17 -0.2364 -0.9994 1350900 ChemDiv1_000059 COC(=O)c1ccc2c(=O)n(CCc3ccc(cc3)S(=O)(=O)N)c(SCC(=O)Nc4ccc(cc4)N(C)C)nc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 C16 compound treatment 0.251 0.00372 0.18 0.247 -0.00135 -0.07 0.0802 0.4092 1388357 ChemDiv1_000060 COc1cccc(c1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nc(C)cc(C)n3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 C17 compound treatment 0.255 0.00772 0.38 0.252 0.00365 0.19 0.4015 0.9471 1970288 ChemDiv1_000061 CCCCCc1ccc(cc1)c2ccc(cc2)C(=O)Nc3ccc(Cl)c4C(=O)c5ccccc5C(=O)c34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 C18 compound treatment 0.255 0.00772 0.38 0.252 0.00365 0.19 0.4015 0.9471 1269141 ChemDiv1_000062 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2ccccc2c3nc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 C19 compound treatment 0.252 0.00472 0.23 0.255 0.00665 0.34 0.4062 0.9823 1136461 ChemDiv1_000063 Clc1ccc(NS(=O)(=O)c2cccc3nsnc23)c(c1)C(=O)Nc4cccc5nsnc45 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 C20 compound treatment 0.247 -2.81E-4 -0.01 0.244 -0.00435 -0.22 -0.1683 -0.7494 1970289 ChemDiv1_000064 O=C(Nc1nc[nH]n1)c2cccs2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 C21 compound treatment 0.244 -0.00328 -0.16 0.242 -0.00635 -0.33 -0.3456 -0.9471 1970290 ChemDiv1_000065 Cc1nc2ccc(NC(=O)c3ccc(cc3)[N+](=O)[O-])cc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 C22 compound treatment 0.246 -0.00128 -0.06 0.247 -0.00135 -0.07 -0.0939 -0.9988 1558076 ChemDiv1_000066 CCNc1ccc(Br)cc1c2nc3ccccc3n(CC)c2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 C23 mock treatment 0.242 -0.00528 -0.26 0.244 -0.00435 -0.22 -0.3425 -0.9973 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 C24 mock treatment 0.239 -0.00828 -0.41 0.224 -0.0244 -1.25 -1.175 -0.8912 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 D01 compound treatment 0.25 0.00272 0.13 0.241 -0.00735 -0.38 -0.173 -0.4309 1970291 ChemDiv1_000067 Brc1ccc2[nH]c(=O)c(C3=NN(C(C3)c4ccccc4)C(=O)CN5CCOCC5)c(c6ccccc6)c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 D02 compound treatment 0.253 0.00572 0.28 0.249 6.45E-4 0.03 0.2227 0.785 1198196 ChemDiv1_000068 O=c1oc2ccccc2cc1c3nnc(o3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 D03 compound treatment 0.256 0.00872 0.43 0.254 0.00565 0.29 0.5091 0.9819 1970292 ChemDiv1_000069 CCc1c(C)nc(SCC(=O)Nc2ccc(Br)cc2)c(C#N)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 D04 compound treatment 0.257 0.00972 0.48 0.251 0.00265 0.14 0.4348 0.8736 1678998 ChemDiv1_000070 COC(=O)c1sc2nc(cc(c3ccc(OC)cc3)c2c1N)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 D05 compound treatment 0.278 0.0307 1.51 0.277 0.0286 1.47 2.1126 0.9999 1970293 ChemDiv1_000071 COc1ccc(Nc2nc(NN)nc(n2)N3CCOCC3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 D06 compound treatment 0.251 0.00372 0.18 0.249 6.45E-4 0.03 0.153 0.8219 1013280 ChemDiv1_000072 OC(=O)CSc1nc2ccccc2[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 D07 compound treatment 0.252 0.00472 0.23 0.259 0.0106 0.55 0.5518 0.9271 1668295 ChemDiv1_000073 NS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4)sc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 D08 compound treatment 0.425 0.178 8.75 0.418 0.17 8.73 12.3649 1.0 1970294 ChemDiv1_000074 CCOc1cc(Br)c(Br)c(/C=C/2\SC(=S)N(CC(=O)O)C2=O)c1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 D09 compound treatment 0.271 0.0237 1.17 0.27 0.0216 1.11 1.614 0.9997 1159208 ChemDiv1_000075 COc1ccc(cc1)C(=O)Nc2ccc3nc(C)sc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 D10 compound treatment 0.257 0.00972 0.48 0.255 0.00665 0.34 0.5804 0.9864 1970295 ChemDiv1_000076 OC(=O)c1cccc(c1)c2ccc(/C=C/3\S\C(=N/c4ccccc4)\NC3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 D11 compound treatment 0.306 0.0587 2.89 0.284 0.0356 1.84 3.3426 0.9759 1970296 ChemDiv1_000077 CCOCCOC(=O)C1=C(C)NC(=O)NC1c2ccc(OCc3ccccc3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 D12 compound treatment 0.288 0.0407 2.01 0.289 0.0406 2.09 2.8977 0.9998 1970297 ChemDiv1_000078 [O-][N+](=O)c1cc(C(=O)Nc2ccccc2c3nc4ccccc4[nH]3)c(Cl)c(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 D13 compound treatment 0.257 0.00972 0.48 0.267 0.0186 0.96 1.0172 0.9484 1556786 ChemDiv1_000079 Clc1ccc(cc1)C(=O)CN2C(=O)C3(OCCO3)c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 D14 compound treatment 0.288 0.0407 2.01 0.289 0.0406 2.09 2.8977 0.9998 1970298 ChemDiv1_000080 NS(=O)(=O)c1ccc(Nc2nc(c3ccccc3)c4cc(Br)ccc4n2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 D15 compound treatment 0.257 0.00972 0.48 0.256 0.00765 0.39 0.6168 0.9953 1138134 ChemDiv1_000081 CN1CCN(CC1)c2nnc(c3ccc(Cl)cc3)c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 D16 compound treatment 0.258 0.0107 0.53 0.259 0.0106 0.55 0.7608 0.9998 1970299 ChemDiv1_000082 COc1ccc(cc1)N2C(=O)/C(=C\c3cn(C(=O)C)c4ccccc34)/C(=O)NC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 D17 compound treatment 0.668 0.421 20.72 0.651 0.403 20.73 29.3096 1.0 1970300 ChemDiv1_000083 COc1ccc(/C=C\2/SC(=S)N(CC(=O)O)C2=O)c(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 D18 compound treatment 0.293 0.0457 2.25 0.283 0.0346 1.78 2.8534 0.9933 1970301 ChemDiv1_000084 CCCOc1ccccc1C2NC(=O)NC(=C2C(=O)OCC(F)(F)C(F)(F)F)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 D19 compound treatment 0.255 0.00772 0.38 0.254 0.00565 0.29 0.4743 0.9912 1776891 ChemDiv1_000085 [O-][N+](=O)c1ccc(cc1)C(=O)Nc2nc3ccc(NC(=O)c4ccc(cc4)[N+](=O)[O-])cc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 D20 compound treatment 0.249 0.00172 0.08 0.252 0.00365 0.19 0.1926 0.9353 1295086 ChemDiv1_000086 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 D21 compound treatment 0.251 0.00372 0.18 0.246 -0.00235 -0.12 0.0438 0.1994 1970302 ChemDiv1_000087 Sc1nnc(o1)c2cccc(NC(=S)NCC=C)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 D22 compound treatment 0.25 0.00272 0.13 0.251 0.00265 0.14 0.191 1.0 1970303 ChemDiv1_000088 CCOC(=O)c1c(oc2c1cc(OC(=O)c3cccc(C)c3)c4ccccc24)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 D23 mock treatment 0.25 0.00272 0.13 0.249 6.45E-4 0.03 0.1182 0.8565 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 D24 mock treatment 0.249 0.00172 0.08 0.248 -3.55E-4 -0.02 0.0469 0.542 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 E01 compound treatment 0.247 -2.81E-4 -0.01 0.247 -0.00135 -0.07 -0.0591 -0.8313 323041 ChemDiv1_000089 COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 E02 compound treatment 0.27 0.0227 1.12 0.258 0.00965 0.5 1.1423 0.9331 1266873 ChemDiv1_000090 O=C1NCCc2c1[nH]c3ccc(OCc4ccccc4)cc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 E03 compound treatment 0.252 0.00472 0.23 0.255 0.00665 0.34 0.4062 0.9823 1332711 ChemDiv1_000091 CCCS(=O)(=O)c1ccc2[nH]c(NC(=O)OC)nc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 E04 compound treatment 0.253 0.00572 0.28 0.257 0.00865 0.45 0.5139 0.9756 1970304 ChemDiv1_000092 O=C1c2ccccc2C(=O)c3c(Nc4ccc(Oc5ccccc5)cc4)ccc(NC6CCCCC6)c13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 E05 compound treatment 0.322 0.0747 3.68 0.316 0.0676 3.48 5.0647 0.9996 1970305 ChemDiv1_000093 COc1ccccc1/C=C\2/SC(=S)N(CN3CCCCC3)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 E06 compound treatment 0.255 0.00772 0.38 0.257 0.00865 0.45 0.5835 0.9969 1970306 ChemDiv1_000094 Nc1c(Sc2ccccc2)c(Sc3ccccc3)c(N)c4C(=O)c5ccccc5C(=O)c14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 E07 compound treatment 0.254 0.00672 0.33 0.261 0.0126 0.65 0.6943 0.9508 1641208 ChemDiv1_000095 Clc1ccc2nc(CSc3nc4ccccc4o3)cn2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 E08 compound treatment 0.264 0.0167 0.82 0.271 0.0226 1.17 1.4066 0.9855 1383882 ChemDiv1_000096 Oc1nc2c(O)ncnc2[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 E09 compound treatment 0.255 0.00772 0.38 0.258 0.00965 0.5 0.6199 0.9913 1521625 ChemDiv1_000097 C(Nc1ncnc2n(cnc12)C3CCCCO3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 E10 compound treatment 0.253 0.00572 0.28 0.256 0.00765 0.39 0.4775 0.9865 1713214 ChemDiv1_000098 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 E11 compound treatment 0.285 0.0377 1.86 0.274 0.0256 1.32 2.2472 0.986 1941112 ChemDiv1_000099 OCCN1CCN(CC1)C(=O)CSc2nnc(CCCN3C(=O)c4cccc5cccc(C3=O)c45)n2c6ccccc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 E12 compound treatment 0.294 0.0467 2.3 0.292 0.0436 2.25 3.2159 0.9999 1970307 ChemDiv1_000100 COc1cccc(c1)N(CCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c5cc(OC)cc(OC)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 E13 compound treatment 0.26 0.0127 0.63 0.262 0.0136 0.7 0.9397 0.9984 1390452 ChemDiv1_000101 CC(=O)Nc1ccc(OC(=O)CC2SC(=O)NC2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 E14 compound treatment 0.271 0.0237 1.17 0.268 0.0196 1.01 1.5412 0.9974 1270150 ChemDiv1_000102 Clc1ccc(cc1)c2nnc(NCCN3CCCC3)c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 E15 compound treatment 0.309 0.0617 3.04 0.309 0.0606 3.12 4.3571 0.9999 1448378 ChemDiv1_000103 O=C(NCCc1c[nH]c2ccccc12)c3ccc(Cn4nnc5ccccc5c4=O)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 E16 compound treatment 0.257 0.00972 0.48 0.255 0.00665 0.34 0.5804 0.9864 1222135 ChemDiv1_000104 CC(C)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nc(C)cc(C)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 E17 compound treatment 0.265 0.0177 0.87 0.264 0.0156 0.81 1.1866 0.9992 1970308 ChemDiv1_000105 CCOC(=O)c1[nH]c2c(cc(C)cc2c1CCN3C(=O)c4ccccc4C3=O)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 E18 compound treatment 0.318 0.0707 3.48 0.315 0.0666 3.43 4.889 1.0 1396016 ChemDiv1_000106 CCCOc1ccc2nc(NC(=O)OC)sc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 E19 compound treatment 0.254 0.00672 0.33 0.254 0.00565 0.29 0.4395 0.9979 1618370 ChemDiv1_000107 Cc1cc(=O)n2nc(N)nc2[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 E20 compound treatment 0.255 0.00772 0.38 0.255 0.00665 0.34 0.5107 0.9986 1936053 ChemDiv1_000108 OC(=O)Cn1c(SCCOc2ccc(Cl)cc2)nc3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 E21 compound treatment 0.258 0.0107 0.53 0.258 0.00965 0.5 0.7244 0.9995 1970309 ChemDiv1_000109 CC1(C)CC(=O)C2=C(C1)OC3=C(C(=O)CC(C)(C)C3)C2(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 E22 compound treatment 0.254 0.00672 0.33 0.258 0.00965 0.5 0.5851 0.9806 1970310 ChemDiv1_000110 CCCCOc1ccc(OCCCC)c2n(C)c(=O)c(nc12)c3ccccc3NC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 E23 mock treatment 0.251 0.00372 0.18 0.251 0.00265 0.14 0.2258 0.9893 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 E24 mock treatment 0.246 -0.00128 -0.06 0.25 0.00165 0.08 0.0153 0.1445 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 F01 compound treatment 0.251 0.00372 0.18 0.262 0.0136 0.7 0.6262 0.8626 1547855 ChemDiv1_000111 Clc1ccccc1C(=O)N2N=C(CC2c3nc4ccccc4[nH]3)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 F02 compound treatment 0.254 0.00672 0.33 0.251 0.00265 0.14 0.3303 0.923 1159696 ChemDiv1_000112 CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccc(CC=C)c4oc3=O)cc2)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 F03 compound treatment 0.299 0.0517 2.55 0.301 0.0526 2.71 3.7176 0.9995 1970311 ChemDiv1_000113 Nc1nc(SCC(=O)c2ccc(Br)cc2)c(C#N)c(c1C#N)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 F04 compound treatment 0.282 0.0347 1.71 0.279 0.0306 1.58 2.3247 0.9992 1970312 ChemDiv1_000114 Nc1nc(SCC(=O)c2ccc(Br)cc2)c(C#N)c(c1C#N)c3ccc(O)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 F05 compound treatment 0.309 0.0617 3.04 0.306 0.0576 2.97 4.2479 0.9999 1970313 ChemDiv1_000115 NNc1nc(Nc2cccc(Br)c2)nc(n1)N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 F06 compound treatment 0.259 0.0117 0.58 0.254 0.00565 0.29 0.6136 0.9496 1932663 ChemDiv1_000116 [O-][N+](=O)c1ccc(C(=O)Nc2ccc(Cl)c3C(=O)c4ccccc4C(=O)c23)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 F07 compound treatment 0.281 0.0337 1.66 0.28 0.0316 1.63 2.3263 1.0 1131892 ChemDiv1_000117 Cc1nc2ccc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4)cc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 F08 compound treatment 0.33 0.0827 4.07 0.343 0.0946 4.87 6.3262 0.996 1970314 ChemDiv1_000118 Clc1ccccc1/N=C\2/NC(=O)/C(=C/c3ccc4OCOc4c3)/S2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 F09 compound treatment 0.276 0.0287 1.41 0.283 0.0346 1.78 2.2614 0.9934 1732783 ChemDiv1_000119 CC1=C(C(NC(=O)N1)c2ccc(OCc3ccccc3)cc2)C(=O)OC4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 F10 compound treatment 0.295 0.0477 2.35 0.291 0.0426 2.2 3.2143 0.9994 1970315 ChemDiv1_000120 CN(C)c1ccc(/C=C/C=C/2\S\C(=N/c3ccccc3)\NC2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 F11 compound treatment 0.263 0.0157 0.77 0.26 0.0116 0.6 0.9713 0.992 1055087 ChemDiv1_000121 Nc1[n+]([O-])cnc2n(cnc12)C3OC(CO)C(O)C3O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 F12 compound treatment 0.249 0.00172 0.08 0.253 0.00465 0.24 0.229 0.9025 1495811 ChemDiv1_000122 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 F13 compound treatment 0.261 0.0137 0.68 0.267 0.0186 0.96 1.1565 0.9852 1445221 ChemDiv1_000123 O=C(CCN1C(=O)C2(OCCO2)c3ccccc13)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 F14 compound treatment 0.261 0.0137 0.68 0.258 0.00965 0.5 0.8289 0.9885 1689585 ChemDiv1_000124 Brc1ccc2nc(nc(c3ccccc3)c2c1)N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 F15 compound treatment 0.278 0.0307 1.51 0.277 0.0286 1.47 2.1126 0.9999 1970316 ChemDiv1_000125 Oc1c(Br)cc(Br)cc1/C=C/2\NC(=S)NC2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 F16 compound treatment 0.263 0.0157 0.77 0.26 0.0116 0.6 0.9713 0.992 1970317 ChemDiv1_000126 CC(=O)C1=C(OC(=C(C#N)C1c2ccccc2F)N)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 F17 compound treatment 0.527 0.28 13.78 0.51 0.262 13.47 19.2663 0.9999 1970318 ChemDiv1_000127 COc1cc(/C=C\2/SC(=S)N(CC(=O)O)C2=O)cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 F18 compound treatment 0.267 0.0197 0.97 0.258 0.00965 0.5 1.0379 0.9515 1269110 ChemDiv1_000128 CCOC(=O)c1sc(NC(=O)c2cc3ccccc3oc2=O)c(C(=O)OCC)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 F19 compound treatment 0.253 0.00572 0.28 0.257 0.00865 0.45 0.5139 0.9756 1287400 ChemDiv1_000129 COC(=O)c1ccc(cc1)C(=O)Nc2nc3ccc(NC(=O)c4ccc(cc4)C(=O)OC)cc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 F20 compound treatment 0.254 0.00672 0.33 0.255 0.00665 0.34 0.4759 0.9999 1617913 ChemDiv1_000130 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4ccccc34)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 F21 compound treatment 0.261 0.0137 0.68 0.262 0.0136 0.7 0.9745 0.9998 1970319 ChemDiv1_000131 Cc1ccc2[nH]c3c(cc(Nc4ccccc4)c5c(=O)c6ccccc6c(=O)c35)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 F22 compound treatment 0.258 0.0107 0.53 0.258 0.00965 0.5 0.7244 0.9995 1970320 ChemDiv1_000132 CCOC(=O)c1c(oc2c1cc(OC(=O)c3ccc(C)cc3)c4ccccc24)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 F23 mock treatment 0.253 0.00572 0.28 0.257 0.00865 0.45 0.5139 0.9756 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 F24 mock treatment 0.252 0.00472 0.23 0.251 0.00265 0.14 0.2606 0.9676 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 G01 compound treatment 0.245 -0.00228 -0.11 0.248 -3.55E-4 -0.02 -0.0924 -0.8114 1915668 ChemDiv1_000133 COCCOC(=O)Nc1nc2ccc(OC)cc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 G02 compound treatment 0.256 0.00872 0.43 0.253 0.00465 0.24 0.4727 0.9618 1494857 ChemDiv1_000134 CC(=O)Nc1nc2CC(C)(C)CNC(=O)c2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 G03 compound treatment 0.253 0.00572 0.28 0.251 0.00265 0.14 0.2955 0.9444 1575360 ChemDiv1_000135 c1c(nc2nc3[nH]c4ccccc4c3nn12)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 G04 compound treatment 0.255 0.00772 0.38 0.256 0.00765 0.39 0.5471 0.9998 1970321 ChemDiv1_000136 O=C(Oc1cc2sc3ccccc3[nH]c2c4c(=O)c5ccccc5c(=O)c14)c6ccccc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 G05 compound treatment 0.274 0.0267 1.32 0.266 0.0176 0.91 1.5729 0.9836 1970322 ChemDiv1_000137 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)c3cn4ccccc4n3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 G06 compound treatment 0.257 0.00972 0.48 0.26 0.0116 0.6 0.7624 0.9938 1970323 ChemDiv1_000138 Cc1ccc(Sc2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2Sc5ccc(C)cc5)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 G07 compound treatment 0.256 0.00872 0.43 0.256 0.00765 0.39 0.582 0.9991 1970324 ChemDiv1_000139 Cc1cc(=O)n2ncnc2n1COCCO 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 G08 compound treatment 0.259 0.0117 0.58 0.262 0.0136 0.7 0.9048 0.9952 1970325 ChemDiv1_000140 OCCNC(=S)Nc1ccc(cc1)c2nnc(S)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 G09 compound treatment 0.264 0.0167 0.82 0.258 0.00965 0.5 0.9334 0.9707 1174522 ChemDiv1_000141 CCOC(=O)c1c(C)n(c2ccc(cc2)N(CC)CC)c3c1cc(O)c4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 G10 compound treatment 0.25 0.00272 0.13 0.25 0.00165 0.08 0.1546 0.9756 1613564 ChemDiv1_000142 Cc1ccc(cc1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nc(C)cc(C)n3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 G11 compound treatment 0.259 0.0117 0.58 0.258 0.00965 0.5 0.7592 0.9972 1970326 ChemDiv1_000143 CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)NC3(Oc4ccc(Cl)cc4O3)C(F)(F)F)cc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 G12 compound treatment 0.262 0.0147 0.72 0.256 0.00765 0.39 0.7909 0.9588 1970327 ChemDiv1_000144 COc1cccc(c1)N(CCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c5cccc(c5)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 G13 compound treatment 0.248 7.19E-4 0.04 0.251 0.00265 0.14 0.1213 0.8623 1775689 ChemDiv1_000145 Cc1cc(=O)n2nc(nc2[nH]1)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 G14 compound treatment 0.274 0.0267 1.32 0.274 0.0256 1.32 1.8641 1.0 1523976 ChemDiv1_000146 COc1ccc2nc(nc(NCCN3CCCC3)c2c1)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 G15 compound treatment 0.253 0.00572 0.28 0.256 0.00765 0.39 0.4775 0.9865 1177595 ChemDiv1_000147 Clc1ccccc1CN2S(=O)(=O)c3ccccc3S2(=O)=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 G16 compound treatment 0.258 0.0107 0.53 0.257 0.00865 0.45 0.688 0.9964 1527208 ChemDiv1_000148 Nc1nc2nonc2nc1N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 G17 compound treatment 0.264 0.0167 0.82 0.265 0.0166 0.86 1.1882 0.9998 1444420 ChemDiv1_000149 Brc1ccc2[nH]c3C(=O)NCCc3c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 G18 compound treatment 0.256 0.00872 0.43 0.258 0.00965 0.5 0.6548 0.9974 1970328 ChemDiv1_000150 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2cccc3C(=O)c4ccccc4C(=O)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 G19 compound treatment 0.28 0.0327 1.61 0.282 0.0336 1.73 2.3643 0.9994 1010840 ChemDiv1_000151 Nc1nc(N)c(N)c(O)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 G20 compound treatment 0.257 0.00972 0.48 0.254 0.00565 0.29 0.544 0.9714 1460475 ChemDiv1_000152 Oc1c(C(=O)Nc2nc3ccc(Br)cc3s2)c(=O)[nH]c4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 G21 compound treatment 0.253 0.00572 0.28 0.253 0.00465 0.24 0.3683 0.9967 1028548 ChemDiv1_000153 CCOC(=O)Nc1nc2ccccc2[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 G22 compound treatment 0.255 0.00772 0.38 0.254 0.00565 0.29 0.4743 0.9912 1666007 ChemDiv1_000154 CCOC(=O)Cn1c(=O)c(nc2ccccc12)c3cc(Br)ccc3N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 G23 mock treatment 0.252 0.00472 0.23 0.247 -0.00135 -0.07 0.115 0.474 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 G24 mock treatment 0.249 0.00172 0.08 0.249 6.45E-4 0.03 0.0833 0.9165 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 H01 compound treatment 0.245 -0.00228 -0.11 0.248 -3.55E-4 -0.02 -0.0924 -0.8114 1706543 ChemDiv1_000155 CC(=O)N1N=C(CC1c2nc3ccccc3[nH]2)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 H02 compound treatment 0.257 0.00972 0.48 0.255 0.00665 0.34 0.5804 0.9864 1435586 ChemDiv1_000156 CCc1cc2c(ncnc2s1)N3CCN(Cc4nc5ccccc5[nH]4)CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 H03 compound treatment 0.284 0.0367 1.81 0.274 0.0256 1.32 2.2123 0.988 1970329 ChemDiv1_000157 Nc1nc(SCC(=O)OCc2ccccc2)c(C#N)c(c1C#N)c3ccc(O)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 H04 compound treatment 0.266 0.0187 0.92 0.264 0.0156 0.81 1.2214 0.9977 1627400 ChemDiv1_000158 NC(=O)c1sc2nc(N)c(C#N)c(c3ccc(Br)cc3)c2c1N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 H05 compound treatment 0.264 0.0167 0.82 0.258 0.00965 0.5 0.9334 0.9707 1970330 ChemDiv1_000159 Oc1nc(Nc2cccc(Br)c2)nc(n1)N3CCOCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 H06 compound treatment 0.285 0.0377 1.86 0.272 0.0236 1.22 2.1744 0.979 1776110 ChemDiv1_000160 [O-][N+](=O)c1ccc(cc1)C(=O)Nc2cccc(NC(=O)c3cccc(c3)S(=O)(=O)N4CCCCC4)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 H07 compound treatment 0.256 0.00872 0.43 0.256 0.00765 0.39 0.582 0.9991 1970331 ChemDiv1_000161 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 H08 compound treatment 0.27 0.0227 1.12 0.27 0.0216 1.11 1.5792 1.0 1970332 ChemDiv1_000162 Brc1ccccc1/C=C\2/S/C(=N\c3ccccc3)/NC2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 H09 compound treatment 0.256 0.00872 0.43 0.257 0.00865 0.45 0.6184 0.9998 1970333 ChemDiv1_000163 Cc1ccccc1OCCSc2nc3ccccc3n2CC(O)CO 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 H10 compound treatment 0.33 0.0827 4.07 0.333 0.0846 4.36 5.9621 0.9994 1970334 ChemDiv1_000164 COc1ccc(/C=C/2\SC(=O)N(CNc3cccc(c3)C(F)(F)F)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 H11 compound treatment 0.258 0.0107 0.53 0.251 0.00265 0.14 0.4696 0.8613 1056441 ChemDiv1_000165 OCC1OC(C(O)C1O)n2cnc3c(NCC=C)ncnc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 H12 compound treatment 0.264 0.0167 0.82 0.251 0.00265 0.14 0.6786 0.813 1970335 ChemDiv1_000166 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(cc(c3)[N+](=O)[O-])[N+](=O)[O-])cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 H13 compound treatment 0.254 0.00672 0.33 0.26 0.0116 0.6 0.6579 0.9608 1534988 ChemDiv1_000167 CC(C)(C)C(=O)CCN1C(=O)C2(OCCO2)c3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 H14 compound treatment 0.283 0.0357 1.76 0.265 0.0166 0.86 1.8499 0.9453 1718802 ChemDiv1_000168 NS(=O)(=O)c1ccc(Nc2nc(c3ccccc3)c4cc(Cl)ccc4n2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 H15 compound treatment 0.25 0.00272 0.13 0.251 0.00265 0.14 0.191 1.0 1495068 ChemDiv1_000169 O=c1[nH]nc(Cc2ccncc2)c3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 H16 compound treatment 0.302 0.0547 2.7 0.291 0.0426 2.2 3.4581 0.9948 1970336 ChemDiv1_000170 COc1ccc(cc1)c2c(C#N)c(SCC(=O)OC(C)C)nc(C)c2C(=O)Nc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 H17 compound treatment 0.282 0.0347 1.71 0.277 0.0286 1.47 2.2519 0.9973 1970337 ChemDiv1_000171 OC(=O)CN1C(=O)/C(=C\c2ccc(cc2)C(F)(F)F)/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 H18 compound treatment 0.255 0.00772 0.38 0.25 0.00165 0.08 0.3287 0.8439 1140612 ChemDiv1_000172 CCOC(=O)c1c(NC(=O)c2cc3ccccc3oc2=O)scc1c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 H19 compound treatment 0.268 0.0207 1.02 0.276 0.0276 1.42 1.7279 0.9867 1131618 ChemDiv1_000173 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccc(O)cc4O)C(=O)CC(C)(C)C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 H20 compound treatment 0.255 0.00772 0.38 0.256 0.00765 0.39 0.5471 0.9998 1190243 ChemDiv1_000174 Clc1ccc(cc1)C(=O)Nc2ccccc2c3nc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 H21 compound treatment 0.254 0.00672 0.33 0.257 0.00865 0.45 0.5487 0.9894 1924038 ChemDiv1_000175 O=C(Nc1cccc2C(=O)c3ccccc3C(=O)c12)c4ccc(cc4)S(=O)(=O)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 H22 compound treatment 0.253 0.00572 0.28 0.254 0.00565 0.29 0.4047 0.9999 1970338 ChemDiv1_000176 CCOC(=O)c1c(oc2c1cc(OC(=O)c3cccc(Cl)c3)c4ccccc24)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 H23 mock treatment 0.258 0.0107 0.53 0.255 0.00665 0.34 0.6152 0.9779 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 H24 mock treatment 0.247 -2.81E-4 -0.01 0.261 0.0126 0.65 0.4505 0.6919 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 I01 compound treatment 0.252 0.00472 0.23 0.252 0.00365 0.19 0.297 0.9944 1610442 ChemDiv1_000177 COC(=O)Nc1nc2cc3OCCOc3cc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 I02 compound treatment 0.255 0.00772 0.38 0.252 0.00365 0.19 0.4015 0.9471 1126858 ChemDiv1_000178 CC(=O)Nc1nc2CCCNC(=O)c2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 I03 compound treatment 0.262 0.0147 0.72 0.264 0.0156 0.81 1.0821 0.9986 1970339 ChemDiv1_000179 COc1ccc2n(Cc3ccccc3)c4nc5cc6ccccc6cc5nc4c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 I04 compound treatment 0.252 0.00472 0.23 0.255 0.00665 0.34 0.4062 0.9823 1970340 ChemDiv1_000180 Cc1ccc(Nc2cc3sc4ccccc4[nH]c3c5c(=O)c6ccccc6c(=O)c25)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 I05 compound treatment 0.255 0.00772 0.38 0.254 0.00565 0.29 0.4743 0.9912 1970341 ChemDiv1_000181 CCN(CC)c1ccc2cc(C(=O)Nc3cccc(c3)C(F)(F)F)c(=N)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 I06 compound treatment 0.289 0.0417 2.05 0.277 0.0286 1.47 2.4957 0.9868 1970342 ChemDiv1_000182 COc1ccccc1N2C(=O)N(C(=O)C(=Cc3ccco3)C2=O)c4ccccc4OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 I07 compound treatment 0.337 0.0897 4.42 0.317 0.0686 3.53 5.6235 0.9939 1513148 ChemDiv1_000183 CCN(CC)c1ccc(C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4)c(O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 I08 compound treatment 0.26 0.0127 0.63 0.259 0.0106 0.55 0.8305 0.9978 1970343 ChemDiv1_000184 NNC(=S)Nc1ccc(cc1)c2nnc(S)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 I09 compound treatment 0.254 0.00672 0.33 0.258 0.00965 0.5 0.5851 0.9806 1509019 ChemDiv1_000185 CC1(C)CC(CCO1)n2c(SCC=C)nc3-c4ccccc4CC5(CCCCC5)c3c2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 I10 compound treatment 0.257 0.00972 0.48 0.259 0.0106 0.55 0.726 0.9977 1690235 ChemDiv1_000186 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 I11 compound treatment 0.251 0.00372 0.18 0.252 0.00365 0.19 0.2622 0.9999 1970344 ChemDiv1_000187 COc1nc(nc(n1)N2CC(=O)N(C2=N)c3ccccc3)N(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 I12 compound treatment 0.267 0.0197 0.97 0.269 0.0206 1.06 1.4383 0.999 1970345 ChemDiv1_000188 COc1ccc(cc1)N(CCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c5cccs5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 I13 compound treatment 0.259 0.0117 0.58 0.251 0.00265 0.14 0.5044 0.8506 1512253 ChemDiv1_000189 COc1ccc(cc1)n2c(C)nc3ncnc(c4ccccc4)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 I14 compound treatment 0.279 0.0317 1.56 0.292 0.0436 2.25 2.6935 0.9842 1185085 ChemDiv1_000190 CCCSc1ccc2[nH]c(NC(=O)OC)nc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 I15 compound treatment 0.248 7.19E-4 0.04 0.246 -0.00235 -0.12 -0.0607 -0.4806 1135643 ChemDiv1_000191 CC1CCN(CC1)S(=O)(=O)c2ccc3[nH]cc(C(=O)N(CC4CCCO4)Cc5ccco5)c(=O)c3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 I16 compound treatment 0.269 0.0217 1.07 0.27 0.0216 1.11 1.5443 0.9998 1970346 ChemDiv1_000192 [O-][N+](=O)c1cccc(NC(=O)c2cc(ccc2Cl)S(=O)(=O)Nc3ccc(Br)cc3)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 I17 compound treatment 0.265 0.0177 0.87 0.265 0.0166 0.86 1.223 1.0 1970347 ChemDiv1_000193 CCOC(=O)c1[nH]c2ccc(cc2c1CCN3C(=O)c4ccccc4C3=O)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 I18 compound treatment 0.282 0.0347 1.71 0.268 0.0196 1.01 1.9243 0.9686 1365360 ChemDiv1_000194 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2ccccc2c3nc4ccccc4[nH]3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 I19 compound treatment 0.253 0.00572 0.28 0.247 -0.00135 -0.07 0.1498 0.5164 1628850 ChemDiv1_000195 COc1ccc2[nH]c3C(C)NCCc3c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 I20 compound treatment 0.276 0.0287 1.41 0.274 0.0256 1.32 1.9337 0.9994 1970348 ChemDiv1_000196 C(N1CCN(CC1)c2ncnc3n(ncc23)c4ccccc4)c5nc6ccccc6[nH]5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 I21 compound treatment 0.256 0.00872 0.43 0.261 0.0126 0.65 0.764 0.9796 1214449 ChemDiv1_000197 OC(=O)C1CCCN1S(=O)(=O)c2cccc3nsnc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 I22 compound treatment 0.261 0.0137 0.68 0.259 0.0106 0.55 0.8653 0.9946 1685098 ChemDiv1_000198 CCOC(=O)Cn1c(=O)c(nc2cc3ccccc3cc12)c4ccccc4NCc5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 I23 mock treatment 0.254 0.00672 0.33 0.252 0.00365 0.19 0.3667 0.9639 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 I24 mock treatment 0.252 0.00472 0.23 0.258 0.00965 0.5 0.5154 0.9402 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 J01 compound treatment 0.288 0.0407 2.01 0.315 0.0666 3.43 3.8442 0.9673 1919438 ChemDiv1_000199 NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3ccccc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 J02 compound treatment 0.259 0.0117 0.58 0.252 0.00365 0.19 0.5408 0.8911 1648578 ChemDiv1_000200 C(N1CCN(CC1)c2ncnc3sc4CCCCc4c23)c5nc6ccccc6[nH]5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 J03 compound treatment 0.259 0.0117 0.58 0.254 0.00565 0.29 0.6136 0.9496 1498219 ChemDiv1_000201 CC(=O)Oc1ccc2cc(c3nnc(o3)c4ccccc4)c(=O)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 J04 compound treatment 0.254 0.00672 0.33 0.253 0.00465 0.24 0.4031 0.9873 1970349 ChemDiv1_000202 Brc1ccc(NC(=O)CSC2=C(C#N)C3(CCCCC3)C(C#N)C(=O)N2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 J05 compound treatment 0.318 0.0707 3.48 0.314 0.0656 3.38 4.8526 0.9999 1970350 ChemDiv1_000203 NNc1nc(Nc2cccc(c2)[N+](=O)[O-])nc(n1)N3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 J06 compound treatment 0.269 0.0217 1.07 0.257 0.00865 0.45 1.0711 0.9245 1970351 ChemDiv1_000204 CC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(c2)C(=O)Nc3ccc(Br)cc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 J07 compound treatment 0.272 0.0247 1.22 0.272 0.0236 1.22 1.7216 1.0 1970352 ChemDiv1_000205 COc1ccc(cc1)C2CC(=NN2C(=O)c3ccncc3)c4c(c5ccccc5)c6cc(Br)ccc6[nH]c4=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 J08 compound treatment 0.272 0.0247 1.22 0.271 0.0226 1.17 1.6852 0.9998 1970353 ChemDiv1_000206 Oc1c(I)cc(I)cc1/C=C\2/NC(=S)NC2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 J09 compound treatment 0.258 0.0107 0.53 0.254 0.00565 0.29 0.5788 0.9605 1970354 ChemDiv1_000207 Cc1cccc(OCCSc2nc3ccccc3n2CC(O)CO)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 J10 compound treatment 0.307 0.0597 2.94 0.301 0.0526 2.71 3.9962 0.9992 1934539 ChemDiv1_000208 O=C/1N(CN2CCCCC2)C(=S)S\C1=C\c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 J11 compound treatment 0.323 0.0757 3.73 0.347 0.0986 5.08 6.228 0.9885 1970355 ChemDiv1_000209 Oc1ccc(cc1)C2CC(=NN2c3ccc(cc3)[N+](=O)[O-])c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 J12 compound treatment 0.248 7.19E-4 0.04 0.242 -0.00635 -0.33 -0.2063 -0.6269 1716886 ChemDiv1_000210 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3(CC4CC5CC(C4)C3)C5)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 J13 compound treatment 0.257 0.00972 0.48 0.248 -3.55E-4 -0.02 0.3256 0.6796 1537167 ChemDiv1_000211 Brc1ccc2N(C(=O)Nc3ccccc3)C(=O)C4(OCCO4)c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 J14 compound treatment 0.255 0.00772 0.38 0.251 0.00265 0.14 0.3651 0.9041 1970356 ChemDiv1_000212 COc1ccc(cc1)C2=NN(C(C2)c3nc4ccccc4[nH]3)C(=O)CCl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 J15 compound treatment 0.253 0.00572 0.28 0.256 0.00765 0.39 0.4775 0.9865 1970357 ChemDiv1_000213 O=C(Nc1cccc2C(=O)c3ccccc3C(=O)c12)c4ccc(cc4)S(=O)(=O)N5CCCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 J16 compound treatment 0.27 0.0227 1.12 0.267 0.0186 0.96 1.47 0.9971 1970358 ChemDiv1_000214 Brc1ccc(cc1)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 J17 compound treatment 0.296 0.0487 2.4 0.303 0.0546 2.81 3.6859 0.9969 1970359 ChemDiv1_000215 OC(=O)CN1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 J18 compound treatment 0.255 0.00772 0.38 0.256 0.00765 0.39 0.5471 0.9998 1970360 ChemDiv1_000216 Cc1cccc(Nc2ccc(NC(=O)c3ccccc3)c4C(=O)c5ccccc5C(=O)c24)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 J19 compound treatment 0.245 -0.00228 -0.11 0.259 0.0106 0.55 0.3081 0.5507 1696710 ChemDiv1_000217 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccccc4O)C(=O)CC(C)(C)C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 J20 compound treatment 0.252 0.00472 0.23 0.249 6.45E-4 0.03 0.1878 0.8 1420435 ChemDiv1_000218 O=C(Nc1ccccc1c2nc3ccccc3s2)c4cccc5ccccc45 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 J21 compound treatment 0.282 0.0347 1.71 0.291 0.0426 2.2 2.7615 0.9924 1380988 ChemDiv1_000219 CCOc1ccc(cc1)C(=O)Nc2ccccc2c3nc4ccccc4[nH]3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 J22 compound treatment 0.251 0.00372 0.18 0.25 0.00165 0.08 0.1894 0.9386 1970361 ChemDiv1_000220 CCOC(=O)c1c(oc2c1cc(OC(=O)c3ccccc3Cl)c4ccccc24)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 J23 mock treatment 0.251 0.00372 0.18 0.252 0.00365 0.19 0.2622 0.9999 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 J24 mock treatment 0.248 7.19E-4 0.04 0.249 6.45E-4 0.03 0.0485 0.9995 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 K01 compound treatment 0.287 0.0397 1.96 0.285 0.0366 1.89 2.7173 0.9998 1724516 ChemDiv1_000221 CC(=O)n1cc(C(SCc2ccccc2)C(NO)C(=O)OCc3ccccc3)c4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 K02 compound treatment 0.252 0.00472 0.23 0.25 0.00165 0.08 0.2242 0.9065 1970362 ChemDiv1_000222 [O-][N+](=O)c1ccc(cc1)c2nc3ccccc3c4nc5ccccc5n24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 K03 compound treatment 0.259 0.0117 0.58 0.254 0.00565 0.29 0.6136 0.9496 1970363 ChemDiv1_000223 CCCCOc1ccc(OCCCC)c2n(C)c(=O)c(nc12)c3ccccc3N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 K04 compound treatment 0.258 0.0107 0.53 0.257 0.00865 0.45 0.688 0.9964 1970364 ChemDiv1_000224 COc1ccc([Se]c2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 K05 compound treatment 0.271 0.0237 1.17 0.273 0.0246 1.27 1.7232 0.9992 1453031 ChemDiv1_000225 CC(=O)N1N=C(CC1c2nc3ccccc3[nH]2)c4c(c5ccccc5)c6cc(Br)ccc6[nH]c4=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 K06 compound treatment 0.278 0.0307 1.51 0.27 0.0216 1.11 1.8578 0.9887 1154978 ChemDiv1_000226 COc1cc(cc(OC)c1OC)C(=O)Nc2ccccc2c3nc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 K07 compound treatment 0.275 0.0277 1.37 0.264 0.0156 0.81 1.5349 0.9683 1416422 ChemDiv1_000227 CCSc1nnc-2c(OC(Nc3ccccc32)c4cccc(OC)c4)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 K08 compound treatment 0.256 0.00872 0.43 0.255 0.00665 0.34 0.5455 0.9937 1243169 ChemDiv1_000228 O=S(=O)(N(CCC#N)CCc1ccccc1)c2cccc3nsnc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 K09 compound treatment 0.253 0.00572 0.28 0.254 0.00565 0.29 0.4047 0.9999 1163313 ChemDiv1_000229 CCOC(=O)c1sc2nc(N3CCOCC3)c4CN(C)C(C)(C)Cc4c2c1N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 K10 compound treatment 0.256 0.00872 0.43 0.257 0.00865 0.45 0.6184 0.9998 1970365 ChemDiv1_000230 Nc1cc(ccc1Cl)c2nnc(S)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 K11 compound treatment 0.265 0.0177 0.87 0.259 0.0106 0.55 1.0046 0.9749 1349231 ChemDiv1_000231 CCOC(=O)c1c(C)n(C)c2c1cc(O)c3n(nc(c4ccccc4)c32)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 K12 compound treatment 0.29 0.0427 2.1 0.285 0.0366 1.89 2.8217 0.9985 1970366 ChemDiv1_000232 [O-][N+](=O)c1cccc(c1)C2Oc3ccccc3C4CC(=NN42)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 K13 compound treatment 0.26 0.0127 0.63 0.254 0.00565 0.29 0.6485 0.939 1970367 ChemDiv1_000233 CCOC(=O)CSc1nc2sc(C(=O)N3CCCC3)c(C)c2c(=O)n1CCc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 K14 compound treatment 0.268 0.0207 1.02 0.265 0.0166 0.86 1.3275 0.9962 1101519 ChemDiv1_000234 Cc1ccc(cc1)S(=O)(=O)Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 K15 compound treatment 0.25 0.00272 0.13 0.257 0.00865 0.45 0.4094 0.8808 1970368 ChemDiv1_000235 COc1cccc(CSc2ccc(cc2C(=O)N3CCC4(CC3)OCCO4)S(=O)(=O)N5CCOCC5)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 K16 compound treatment 0.262 0.0147 0.72 0.258 0.00965 0.5 0.8637 0.983 1970369 ChemDiv1_000236 CCOc1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(OC)c3)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 K17 compound treatment 0.256 0.00872 0.43 0.251 0.00265 0.14 0.3999 0.8878 1372756 ChemDiv1_000237 O=S(=O)(NCCc1ccccc1)c2cccc3nsnc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 K18 compound treatment 0.287 0.0397 1.96 0.293 0.0446 2.3 3.0085 0.9968 1970370 ChemDiv1_000238 CC(=O)N1N=C(CC1c2ccc(cc2)[N+](=O)[O-])c3c(c4ccccc4)c5cc(Br)ccc5[nH]c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 K19 compound treatment 0.25 0.00272 0.13 0.256 0.00765 0.39 0.373 0.8972 1347766 ChemDiv1_000239 CCc1c(C)nc(nc1Nc2ccccc2)n3nc(C)cc3C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 K20 compound treatment 0.292 0.0447 2.2 0.278 0.0296 1.53 2.6366 0.9839 1776743 ChemDiv1_000240 C(/C=C/c1ccccc1)N2CCN(CC2)c3ncnc4n(ncc34)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 K21 compound treatment 0.251 0.00372 0.18 0.253 0.00465 0.24 0.2986 0.9913 1970371 ChemDiv1_000241 CN(C)CC(C)(C)CN(CCC#N)S(=O)(=O)c1cccc2nsnc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 K22 compound treatment 0.261 0.0137 0.68 0.257 0.00865 0.45 0.7925 0.9795 1970372 ChemDiv1_000242 CCOC(=O)Cn1c(=O)c(nc2cc3ccccc3cc12)c4cc(ccc4NC)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 K23 mock treatment 0.251 0.00372 0.18 0.255 0.00665 0.34 0.3714 0.9571 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 K24 mock treatment 0.251 0.00372 0.18 0.254 0.00565 0.29 0.335 0.9752 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 L01 compound treatment 0.304 0.0567 2.79 0.299 0.0506 2.61 3.8189 0.9994 1970373 ChemDiv1_000243 COc1ccc(cc1)c2c(C#N)c(SCC=C)nc(C)c2C(=O)Nc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 L02 compound treatment 0.255 0.00772 0.38 0.254 0.00565 0.29 0.4743 0.9912 1316975 ChemDiv1_000244 Cc1cc(C)nc(n1)N2CCN(CC2)c3ncnc4n(ncc34)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 L03 compound treatment 0.259 0.0117 0.58 0.256 0.00765 0.39 0.6864 0.9826 1970374 ChemDiv1_000245 CCN(CC)c1ccc2cc(c3csc(n3)c4nc(cs4)c5cc6ccc(cc6oc5=O)N(CC)CC)c(=O)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 L04 compound treatment 0.257 0.00972 0.48 0.257 0.00865 0.45 0.6532 0.9993 1142548 ChemDiv1_000246 COc1ccc(cc1)c2cc(nc(SCC(=O)N)c2C#N)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 L05 compound treatment 0.261 0.0137 0.68 0.259 0.0106 0.55 0.8653 0.9946 1229041 ChemDiv1_000247 Clc1nc(NCc2ccccc2)nc(NCc3ccccc3)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 L06 compound treatment 0.263 0.0157 0.77 0.261 0.0126 0.65 1.0078 0.9963 1970375 ChemDiv1_000248 CNc1ccc(Br)cc1c2nc3cc4ccccc4cc3n(C)c2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 L07 compound treatment 0.252 0.00472 0.23 0.26 0.0116 0.6 0.5883 0.9149 1419641 ChemDiv1_000249 CC(=O)N1N=C(CC1c2nc3ccccc3n2C(=O)C)c4c(c5ccccc5)c6cc(Cl)ccc6[nH]c4=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 L08 compound treatment 0.322 0.0747 3.68 0.335 0.0866 4.46 5.7563 0.9954 1970376 ChemDiv1_000250 COc1ccc(Br)cc1/C=C\2/S/C(=N/c3ccccc3)/NC2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 L09 compound treatment 0.279 0.0317 1.56 0.286 0.0376 1.94 2.475 0.9943 1970377 ChemDiv1_000251 CCOC(=O)c1cccc(n1)C(=O)NC2=NN(C(=O)C2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 L10 compound treatment 0.267 0.0197 0.97 0.266 0.0176 0.91 1.3291 0.9994 1205642 ChemDiv1_000252 CC(=O)Nc1ccc2nc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4)sc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 L11 compound treatment 0.319 0.0717 3.53 0.335 0.0866 4.46 5.6518 0.9933 1935898 ChemDiv1_000253 Oc1ccc(cc1)C2=NN(C(C2)c3ccc(F)cc3)c4ccc(cc4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 L12 compound treatment 0.246 -0.00128 -0.06 0.247 -0.00135 -0.07 -0.0939 -0.9988 1441373 ChemDiv1_000254 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 L13 compound treatment 0.262 0.0147 0.72 0.254 0.00565 0.29 0.7181 0.9194 1122313 ChemDiv1_000255 CC(C)(C)C(=O)CN1C(=O)C2(OCCO2)c3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 L14 compound treatment 0.252 0.00472 0.23 0.25 0.00165 0.08 0.2242 0.9065 1607189 ChemDiv1_000256 C1CCN(CC1)c2nc(nc(n2)N3CCCCC3)N4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 L15 compound treatment 0.255 0.00772 0.38 0.254 0.00565 0.29 0.4743 0.9912 1970378 ChemDiv1_000257 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2cccc3C(=O)c4ccccc4C(=O)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 L16 compound treatment 0.261 0.0137 0.68 0.252 0.00365 0.19 0.6105 0.8705 1931863 ChemDiv1_000258 Brc1ccc(NC(=O)CSC2=C(C#N)C(CC(=O)N2)c3cccc4ccccc34)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 L17 compound treatment 0.706 0.459 22.59 0.677 0.429 22.07 31.5795 0.9999 1970379 ChemDiv1_000259 COc1ccc(OC)c(/C=C\2/SC(=S)N(CC(=O)O)C2=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 L18 compound treatment 0.258 0.0107 0.53 0.259 0.0106 0.55 0.7608 0.9998 1689596 ChemDiv1_000260 Nc1nc(F)cc(n1)N2CCOCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 L19 compound treatment 0.259 0.0117 0.58 0.252 0.00365 0.19 0.5408 0.8911 1970380 ChemDiv1_000261 Cc1cc(C)c(C#N)c(SCCSc2nc(C)cc(C)c2C#N)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 L20 compound treatment 0.285 0.0377 1.86 0.276 0.0276 1.42 2.32 0.9913 1970381 ChemDiv1_000262 COc1cc(OC)cc(c1)C(=O)N2N=C(CC2c3ccco3)c4c(c5ccccc5)c6cc(Br)ccc6[nH]c4=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 L21 compound treatment 0.256 0.00872 0.43 0.258 0.00965 0.5 0.6548 0.9974 1944846 ChemDiv1_000263 O=C(Nc1cccc2C(=O)c3ccccc3C(=O)c12)c4ccc(cc4)S(=O)(=O)N5CCCCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 L22 compound treatment 0.255 0.00772 0.38 0.257 0.00865 0.45 0.5835 0.9969 1970382 ChemDiv1_000264 CCOC(=O)c1c(oc2c1cc(OC(=O)c3ccccc3Br)c4ccccc24)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 L23 mock treatment 0.255 0.00772 0.38 0.253 0.00465 0.24 0.4379 0.975 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 L24 mock treatment 0.25 0.00272 0.13 0.253 0.00465 0.24 0.2638 0.9624 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 M01 compound treatment 0.244 -0.00328 -0.16 0.239 -0.00935 -0.48 -0.4548 -0.8953 1778181 ChemDiv1_000265 O=C1N(CC2N(CCc3ccccc23)S(=O)(=O)c4cccc5nsnc45)C(=O)c6ccccc16 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 M02 compound treatment 0.251 0.00372 0.18 0.25 0.00165 0.08 0.1894 0.9386 1673360 ChemDiv1_000266 Cc1ccc(c2nsnc12)S(=O)(=O)N(CCC#N)C3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 M03 compound treatment 0.252 0.00472 0.23 0.251 0.00265 0.14 0.2606 0.9676 1353926 ChemDiv1_000267 COc1ccc(cc1)C2=NN(C(C2)c3cc4ccc(C)cc4nc3Cl)C(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 M04 compound treatment 0.257 0.00972 0.48 0.258 0.00965 0.5 0.6896 0.9998 1970383 ChemDiv1_000268 Cc1ccc(Nc2cc([Se]c3ccccc3)c(N)c4C(=O)c5ccccc5C(=O)c24)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 M05 compound treatment 0.257 0.00972 0.48 0.253 0.00465 0.24 0.5076 0.9486 1970384 ChemDiv1_000269 OC(=O)C1Cc2c([nH]c3ccccc23)C(N1)c4ccccc4O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 M06 compound treatment 0.266 0.0187 0.92 0.257 0.00865 0.45 0.9666 0.9442 1322914 ChemDiv1_000270 Brc1ccccc1C(=O)Nc2ccccc2c3nc4ccccc4[nH]3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 M07 compound treatment 0.257 0.00972 0.48 0.265 0.0166 0.86 0.9444 0.9622 1522585 ChemDiv1_000271 NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 M08 compound treatment 0.252 0.00472 0.23 0.261 0.0126 0.65 0.6247 0.9037 1970385 ChemDiv1_000272 [O-][N+](=O)c1ccc(cc1)c2nc(c3ccccc3)c4cc(ccc4n2)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 M09 compound treatment 0.276 0.0287 1.41 0.274 0.0256 1.32 1.9337 0.9994 1372731 ChemDiv1_000273 COc1ccc(cc1COc2ccc(F)cc2)C3Nc4ccccc4NC5=C3C(=O)CC(C)(C)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 M10 compound treatment 0.254 0.00672 0.33 0.256 0.00765 0.39 0.5123 0.9963 1970386 ChemDiv1_000274 CCCCCCNc1ccc(NC(=O)c2ccc(cc2)C3CCC(CCCCC)CC3)c4C(=O)c5ccccc5C(=O)c14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 M11 compound treatment 0.277 0.0297 1.46 0.278 0.0296 1.53 2.1142 0.9998 1416532 ChemDiv1_000275 COc1ccccc1n2cnc3cc(Nc4nnc(C)c5ccccc45)ccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 M12 compound treatment 0.255 0.00772 0.38 0.256 0.00765 0.39 0.5471 0.9998 1937228 ChemDiv1_000276 COc1ccc(/C=C/C(=O)Nc2ccc(NC3CCCCC3)c4C(=O)c5ccccc5C(=O)c24)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 M13 compound treatment 0.301 0.0537 2.65 0.296 0.0476 2.45 3.6053 0.9993 1655373 ChemDiv1_000277 CCOC(=O)c1ccc(Cn2c3ccccc3c4nc5ccccc5nc24)o1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 M14 compound treatment 0.289 0.0417 2.05 0.289 0.0406 2.09 2.9325 1.0 1970387 ChemDiv1_000278 OS(=O)(=O)c1ccc2C(=O)c3c(Cl)ccc4nc(nc(-c2c1)c34)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 M15 compound treatment 0.311 0.0637 3.14 0.323 0.0746 3.84 4.9364 0.9949 1970388 ChemDiv1_000279 CCCCOc1ccc(OCCCC)c2NC3(Nc21)C(=O)Nc4ccc(cc43)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 M16 compound treatment 0.255 0.00772 0.38 0.253 0.00465 0.24 0.4379 0.975 1970389 ChemDiv1_000280 CCOc1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(Br)c3)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 M17 compound treatment 0.259 0.0117 0.58 0.253 0.00465 0.24 0.5772 0.9239 1628772 ChemDiv1_000281 CC(C)N(CCC#N)S(=O)(=O)c1cccc2nsnc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 M18 compound treatment 0.274 0.0267 1.32 0.282 0.0336 1.73 2.1553 0.9908 1970390 ChemDiv1_000282 CCOc1ccc2cc(C3CC(=NN3)c4ccc(OC)cc4)c(Cl)nc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 M19 compound treatment 0.258 0.0107 0.53 0.264 0.0156 0.81 0.9428 0.979 1638049 ChemDiv1_000283 Clc1ccc(NS(=O)(=O)c2cccc3nsnc23)c(c1)C(=O)Nc4ccc(CC#N)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 M20 compound treatment 0.264 0.0167 0.82 0.255 0.00665 0.34 0.8242 0.9243 1970391 ChemDiv1_000284 CCn1c2ccccc2c3nc4cc5ccccc5cc4nc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 M21 compound treatment 0.25 0.00272 0.13 0.252 0.00365 0.19 0.2274 0.9863 1970392 ChemDiv1_000285 CCN(CC)CCN(CCC#N)S(=O)(=O)c1cccc2nsnc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 M22 compound treatment 0.249 0.00172 0.08 0.255 0.00665 0.34 0.3018 0.8563 1728623 ChemDiv1_000286 COc1ccc(NC(=O)C)c(c1)c2nc3cc4ccccc4cc3n(Cc5ccccc5)c2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 M23 mock treatment 0.249 0.00172 0.08 0.251 0.00265 0.14 0.1561 0.9738 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 M24 mock treatment 0.248 7.19E-4 0.04 0.252 0.00365 0.19 0.1577 0.8259 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 N01 compound treatment 0.242 -0.00528 -0.26 0.239 -0.00935 -0.48 -0.5245 -0.9582 1970393 ChemDiv1_000287 COc1ccc(cc1)c2c(C#N)c(SCC(=O)N)nc(C)c2C(=O)Nc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 N02 compound treatment 0.25 0.00272 0.13 0.246 -0.00235 -0.12 0.009 0.0496 1644196 ChemDiv1_000288 COc1ccc(cc1)c2cc(nc(SCC#N)c2C#N)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 N03 compound treatment 0.251 0.00372 0.18 0.254 0.00565 0.29 0.335 0.9752 1096122 ChemDiv1_000289 CCN(CC)c1ccc2cc(c3nc4ccccc4s3)c(=O)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 N04 compound treatment 0.26 0.0127 0.63 0.259 0.0106 0.55 0.8305 0.9978 1970394 ChemDiv1_000290 COc1ccccc1c2cc(nc(SCC(=O)N)c2C#N)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 N05 compound treatment 0.271 0.0237 1.17 0.263 0.0146 0.75 1.3592 0.9776 1420261 ChemDiv1_000291 COc1ccc(cc1)C2=NN(C(C2)c3cn(nc3c4ccccc4)c5ccccc5)C(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 N06 compound treatment 0.254 0.00672 0.33 0.248 -3.55E-4 -0.02 0.2211 0.6671 1532435 ChemDiv1_000292 CCOC(=O)Cn1c(=O)c(nc2cc3ccccc3cc12)c4cc(Br)ccc4NC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 N07 compound treatment 0.267 0.0197 0.97 0.267 0.0186 0.96 1.3655 1.0 1970395 ChemDiv1_000293 Fc1ccc(cc1)C(=O)N2N=C(CC2c3ccco3)c4c(c5ccccc5)c6cc(Br)ccc6[nH]c4=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 N08 compound treatment 0.309 0.0617 3.04 0.325 0.0766 3.95 4.9395 0.9917 1970396 ChemDiv1_000294 CCOc1ccc(/C=C\2/S/C(=N\c3ccccc3)/NC2=O)c(OCC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 N09 compound treatment 0.266 0.0187 0.92 0.27 0.0216 1.11 1.4399 0.9956 1700171 ChemDiv1_000295 Brc1ccc(cc1)C(=O)Nc2cccc(NC(=O)c3cccc(c3)S(=O)(=O)N4CCCCC4)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 N10 compound treatment 0.247 -2.81E-4 -0.01 0.249 6.45E-4 0.03 0.0137 0.3804 1488815 ChemDiv1_000296 Cc1nc2ccc3nc(NC(=O)c4ccc(cc4)S(=O)(=O)N5CCCCC5)sc3c2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 N11 compound treatment 0.304 0.0567 2.79 0.319 0.0706 3.64 4.547 0.9915 1970397 ChemDiv1_000297 CC(=O)Oc1ccc(cc1)C2=NN(C(C2)c3ccccc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 N12 compound treatment 0.251 0.00372 0.18 0.249 6.45E-4 0.03 0.153 0.8219 1606039 ChemDiv1_000298 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 N13 compound treatment 0.261 0.0137 0.68 0.25 0.00165 0.08 0.5377 0.7896 1704825 ChemDiv1_000299 CC(=C)CN1C(=O)C2(OCCO2)c3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 N14 compound treatment 0.249 0.00172 0.08 0.25 0.00165 0.08 0.1197 1.0 1046946 ChemDiv1_000300 C1CN(CCO1)c2nc(nc(n2)N3CCOCC3)N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 N15 compound treatment 0.254 0.00672 0.33 0.248 -3.55E-4 -0.02 0.2211 0.6671 1135529 ChemDiv1_000301 CCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nc(C)cc(C)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 N16 compound treatment 0.246 -0.00128 -0.06 0.243 -0.00535 -0.28 -0.2396 -0.8471 1175713 ChemDiv1_000302 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 N17 compound treatment 0.286 0.0387 1.91 0.299 0.0506 2.61 3.1921 0.9882 1970398 ChemDiv1_000303 Clc1ccccc1C(=O)Oc2ccc(/C=C\3/SC(=N)NC3=O)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 N18 compound treatment 0.249 0.00172 0.08 0.252 0.00365 0.19 0.1926 0.9353 1970399 ChemDiv1_000304 CNc1cc(F)nc(NC)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 N19 compound treatment 0.263 0.0157 0.77 0.263 0.0146 0.75 1.0806 0.9999 1363603 ChemDiv1_000305 Cc1cc(C)c2c(N)c(sc2n1)C(=O)Nc3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 N20 compound treatment 0.27 0.0227 1.12 0.271 0.0226 1.17 1.6156 0.9998 1970400 ChemDiv1_000306 CC(=O)N1N=C(CC1c2cccc(Br)c2)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 N21 compound treatment 0.252 0.00472 0.23 0.247 -0.00135 -0.07 0.115 0.474 1970401 ChemDiv1_000307 O=C(Nc1cccc2C(=O)c3ccccc3C(=O)c12)c4cccc(Oc5ccccc5)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 N22 compound treatment 0.252 0.00472 0.23 0.25 0.00165 0.08 0.2242 0.9065 1970402 ChemDiv1_000308 CCOC(=O)c1c(oc2c1cc(OC(=O)c3ccc(Br)cc3)c4ccccc24)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 N23 mock treatment 0.252 0.00472 0.23 0.253 0.00465 0.24 0.3334 0.9999 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 N24 mock treatment 0.249 0.00172 0.08 0.257 0.00865 0.45 0.3746 0.8268 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 O01 compound treatment 0.262 0.0147 0.72 0.263 0.0146 0.75 1.0457 0.9998 1133292 ChemDiv1_000309 Clc1ccc(cc1)c2nnc(NCCN3CCOCC3)c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 O02 compound treatment 0.252 0.00472 0.23 0.253 0.00465 0.24 0.3334 0.9999 1549935 ChemDiv1_000310 O=C1NS(=O)(=O)c2cc3c(cc12)C(=O)NS3(=O)=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 O03 compound treatment 0.24 -0.00728 -0.36 0.249 6.45E-4 0.03 -0.2301 -0.6389 1288047 ChemDiv1_000311 O=C(Nc1ccccc1c2nc3ccccc3[nH]2)c4ccc(cc4)S(=O)(=O)N5CCCCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 O04 compound treatment 0.247 -2.81E-4 -0.01 0.255 0.00665 0.34 0.2321 0.6779 1970403 ChemDiv1_000312 Nc1c([Se]c2ccccc2)cc([Se]c3ccccc3)c4C(=O)c5ccccc5C(=O)c14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 O05 compound treatment 0.27 0.0227 1.12 0.263 0.0146 0.75 1.3243 0.9815 1531388 ChemDiv1_000313 CSc1nnc-2c(OC(Nc3ccccc32)c4ccc(C)o4)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 O06 compound treatment 0.256 0.00872 0.43 0.255 0.00665 0.34 0.5455 0.9937 1593690 ChemDiv1_000314 OC(=O)CNS(=O)(=O)c1cccc2nsnc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 O07 compound treatment 0.274 0.0267 1.32 0.275 0.0266 1.37 1.9005 0.9998 1939719 ChemDiv1_000315 CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c3cc4ccccc4oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 O08 compound treatment 0.256 0.00872 0.43 0.255 0.00665 0.34 0.5455 0.9937 1392282 ChemDiv1_000316 O=S(=O)(NC1CCCCC1)c2cccc3nsnc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 O09 compound treatment 0.247 -2.81E-4 -0.01 0.243 -0.00535 -0.28 -0.2047 -0.7417 1203284 ChemDiv1_000317 Cc1cc(C)nc(n1)n2c(Nc3ccccc3)cc(=O)c4c(C)n(c5ccccc5)c(=O)nc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 O10 compound treatment 0.257 0.00972 0.48 0.258 0.00965 0.5 0.6896 0.9998 1970404 ChemDiv1_000318 Oc1cccc2ccc(nc12)N3CCOCCOCCN(CCOCCOCC3)c4ccc5cccc(O)c5n4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 O11 compound treatment 0.264 0.0167 0.82 0.267 0.0186 0.96 1.261 0.9971 1255802 ChemDiv1_000319 Cc1c(C)c2ccccc2n1CC(O)CN3C(=O)c4ccccc4S3(=O)=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 O12 compound treatment 0.412 0.165 8.11 0.426 0.178 9.15 12.2034 0.9982 1970405 ChemDiv1_000320 CC(=O)Nc1nc([N+](=O)[O-])c(SCC(=O)O)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 O13 compound treatment 0.282 0.0347 1.71 0.291 0.0426 2.2 2.7615 0.9924 1692246 ChemDiv1_000321 Fc1ccc(NCc2ccccn2)c(c1)c3nc4ccccc4[nH]c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 O14 compound treatment 0.254 0.00672 0.33 0.255 0.00665 0.34 0.4759 0.9999 1970406 ChemDiv1_000322 CCCCc1ccc(cc1)N(C(=O)C)c2cc3c4cc(CCCC)ccc4[nH]c3c5C(=O)c6ccccc6C(=O)c25 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 O15 compound treatment 0.254 0.00672 0.33 0.244 -0.00435 -0.22 0.0755 0.1888 1970407 ChemDiv1_000323 CCCCc1ccc(cc1)C(=O)Nc2ccc(Cl)c3C(=O)c4ccccc4C(=O)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 O16 compound treatment 0.257 0.00972 0.48 0.252 0.00365 0.19 0.4712 0.9164 1970408 ChemDiv1_000324 CCOc1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(c3)[N+](=O)[O-])/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 O17 compound treatment 0.249 0.00172 0.08 0.248 -3.55E-4 -0.02 0.0469 0.542 1482006 ChemDiv1_000325 CN(CCC#N)S(=O)(=O)c1cccc2nsnc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 O18 compound treatment 0.256 0.00872 0.43 0.255 0.00665 0.34 0.5455 0.9937 1738274 ChemDiv1_000326 CCN(CC)S(=O)(=O)c1ccc(Br)c2nsnc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 O19 compound treatment 0.245 -0.00228 -0.11 0.243 -0.00535 -0.28 -0.2744 -0.9217 1970409 ChemDiv1_000327 [O-][N+](=O)c1ccc(cc1)C(=O)Nc2ccccc2c3nc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 O20 compound treatment 0.25 0.00272 0.13 0.245 -0.00335 -0.17 -0.0274 -0.1256 1046094 ChemDiv1_000328 CC(=O)n1c2ccccc2c3nc4ccccc4nc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 O21 compound treatment 0.244 -0.00328 -0.16 0.245 -0.00335 -0.17 -0.2364 -0.9994 1446152 ChemDiv1_000329 O=S(=O)(N(CCOc1cccc2ccccc12)C3CCCCC3)c4cccc5nsnc45 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 O22 compound treatment 0.275 0.0277 1.37 0.284 0.0356 1.84 2.2629 0.9894 1970410 ChemDiv1_000330 O=C1NC(=O)/C(=C\c2c[nH]c3ccccc23)/N1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 O23 mock treatment 0.249 0.00172 0.08 0.242 -0.00635 -0.33 -0.1715 -0.5074 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 O24 mock treatment 0.242 -0.00528 -0.26 0.237 -0.0114 -0.58 -0.5973 -0.9335 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 P01 compound treatment 0.209 -0.0383 -1.89 0.221 -0.0274 -1.41 -2.329 -0.9897 1466000 ChemDiv1_000331 Cc1nc(SCC(=O)c2cc3ccccc3oc2=O)c(C#N)c(C)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 P02 compound treatment 0.28 0.0327 1.61 0.276 0.0276 1.42 2.1458 0.9981 1970411 ChemDiv1_000332 NC(=O)CSc1nc(N)c(C#N)c(c1C#N)c2ccc(Br)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 P03 compound treatment 0.25 0.00272 0.13 0.245 -0.00335 -0.17 -0.0274 -0.1256 1970412 ChemDiv1_000333 COc1ccccc1OCCSc2nc3ccccc3n2CCO 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 P04 compound treatment 0.242 -0.00528 -0.26 0.243 -0.00535 -0.28 -0.3789 -0.9996 1551447 ChemDiv1_000334 CCCOC(=O)CSc1nc2CCCCc2c(c1C#N)c3ccc(O)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 P05 compound treatment 0.248 7.19E-4 0.04 0.239 -0.00935 -0.48 -0.3155 -0.6534 1668571 ChemDiv1_000335 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3c(F)cc(F)cc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 P06 compound treatment 0.252 0.00472 0.23 0.25 0.00165 0.08 0.2242 0.9065 1715637 ChemDiv1_000336 Fc1ccc(CNc2ccccc2c3nc4cc5ccccc5cc4[nH]c3=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 P07 compound treatment 0.25 0.00272 0.13 0.245 -0.00335 -0.17 -0.0274 -0.1256 1368444 ChemDiv1_000337 CN(C)C(=O)CSc1nc2ccc(Cl)cc2o1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 P08 compound treatment 0.254 0.00672 0.33 0.251 0.00265 0.14 0.3303 0.923 1970413 ChemDiv1_000338 COc1c(/C=C\2/S/C(=N\c3ccccc3)/NC2=O)cccc1[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 P09 compound treatment 0.251 0.00372 0.18 0.252 0.00365 0.19 0.2622 0.9999 1262173 ChemDiv1_000339 Nc1nc2ccc(NC(=O)c3ccccc3)cc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 P10 compound treatment 0.241 -0.00628 -0.31 0.245 -0.00335 -0.17 -0.3409 -0.9621 1186010 ChemDiv1_000340 Cc1nc2ccc3nc(NC(=O)c4ccc(cc4)S(=O)(=O)N5CCCC5)sc3c2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 P11 compound treatment 0.246 -0.00128 -0.06 0.245 -0.00335 -0.17 -0.1667 -0.9068 1913542 ChemDiv1_000341 CC(=O)CC1(O)C(=O)N(CN2CCOCC2)c3ccccc31 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 P12 compound treatment 0.247 -2.81E-4 -0.01 0.244 -0.00435 -0.22 -0.1683 -0.7494 1970414 ChemDiv1_000342 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2ccc3C(=O)c4ccccc4C(=O)c3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 P13 compound treatment 0.256 0.00872 0.43 0.253 0.00465 0.24 0.4727 0.9618 1970415 ChemDiv1_000343 CCOc1ccc(Nc2nc(C)c([N+](=O)[O-])c(n2)N(C)c3ccccc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 P14 compound treatment 0.242 -0.00528 -0.26 0.245 -0.00335 -0.17 -0.3061 -0.9802 1970416 ChemDiv1_000344 CC(=O)n1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c3ccc(Cl)cc3)c4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 P15 compound treatment 0.645 0.398 19.59 0.626 0.378 19.44 27.5985 1.0 1923660 ChemDiv1_000345 OC(=O)CN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 P16 compound treatment 0.258 0.0107 0.53 0.251 0.00265 0.14 0.4696 0.8613 1271949 ChemDiv1_000346 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 P17 compound treatment 0.272 0.0247 1.22 0.277 0.0286 1.47 1.9036 0.9955 1970417 ChemDiv1_000347 COc1cc(/C=C\2/SC(=N)NC2=O)ccc1OC(=O)c3ccccc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 P18 compound treatment 0.252 0.00472 0.23 0.25 0.00165 0.08 0.2242 0.9065 1179118 ChemDiv1_000348 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3c(OCC)cccc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 P19 compound treatment 0.25 0.00272 0.13 0.247 -0.00135 -0.07 0.0454 0.3005 1970418 ChemDiv1_000349 CSc1nnc(o1)c2ccc(SC#N)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 P20 compound treatment 0.244 -0.00328 -0.16 0.246 -0.00235 -0.12 -0.2 -0.99 1970419 ChemDiv1_000350 CC(=O)N1N=C(CC1c2cccc(Br)c2)c3c(c4ccccc4)c5cc(ccc5[nH]c3=O)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 P21 compound treatment 0.247 -2.81E-4 -0.01 0.248 -3.55E-4 -0.02 -0.0227 -0.9907 1970420 ChemDiv1_000351 COc1cc(cc(OC)c1OC)C(=O)Nc2cccc3C(=O)c4ccccc4C(=O)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 P22 compound treatment 0.245 -0.00228 -0.11 0.248 -3.55E-4 -0.02 -0.0924 -0.8114 1970421 ChemDiv1_000352 CCOC(=O)c1c(oc2c1cc(OC(=O)c3ccc(OC)cc3)c4ccccc24)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 P23 mock treatment 0.242 -0.00528 -0.26 0.235 -0.0134 -0.69 -0.6701 -0.9116 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.587 P24 mock treatment 0.218 -0.0293 -1.44 0.236 -0.0124 -0.64 -1.4695 -0.9323 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 A01 compound treatment 0.222 -0.0249 -1.23 0.237 -0.013 -0.67 -1.3428 -0.9595 1970422 ChemDiv1_000353 CCOC(=O)c1c(oc2c1cc(OC(=O)c3cccc(OC)c3)c4ccccc24)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 A02 compound treatment 0.231 -0.0159 -0.78 0.247 -0.00303 -0.16 -0.6653 -0.8314 1928468 ChemDiv1_000354 O=c1oc(nc2sc3CCCCc3c12)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 A03 compound treatment 0.24 -0.00694 -0.34 0.248 -0.00203 -0.1 -0.3155 -0.8831 1970423 ChemDiv1_000355 CCOC(=O)c1c(oc2c1cc(OC(=O)c3ccc(cc3)S(=O)(=O)N4CCOCC4)c5ccccc25)c6ccccc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 A04 compound treatment 0.231 -0.0159 -0.78 0.242 -0.00803 -0.41 -0.8473 -0.9552 1970424 ChemDiv1_000356 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCCCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 A05 compound treatment 0.233 -0.0139 -0.69 0.24 -0.01 -0.52 -0.8505 -0.9902 1539645 ChemDiv1_000357 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4ccc(cc4)S(=O)(=O)N(CC)CC)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 A06 compound treatment 0.229 -0.0179 -0.88 0.249 -0.00103 -0.05 -0.6622 -0.7483 1970425 ChemDiv1_000358 Brc1ccccc1C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 A07 compound treatment 0.253 0.00606 0.3 0.259 0.00897 0.46 0.5377 0.9778 1970426 ChemDiv1_000359 CN(C)c1ccc(/C=C\2/SC(=O)N(CNc3ccccc3Br)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 A08 compound treatment 0.228 -0.0189 -0.93 0.246 -0.00403 -0.21 -0.8062 -0.8438 1970427 ChemDiv1_000360 [O-][N+](=O)c1ccc(cc1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 A09 compound treatment 0.274 0.0271 1.33 0.273 0.023 1.18 1.7787 0.9982 1337175 ChemDiv1_000361 Nc1ccc(cc1)C(=O)Nc2nc3ccc(NC(=O)c4ccccc4)cc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 A10 compound treatment 0.243 -0.00394 -0.19 0.247 -0.00303 -0.16 -0.2474 -0.9942 1634994 ChemDiv1_000362 CCc1cc2c(=O)c(c(C)oc2cc1OC3OC(CO)C(O)C(O)C3O)c4ccc5OCOc5c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 A11 compound treatment 0.247 6.45E-5 0.0 0.249 -0.00103 -0.05 -0.0353 -0.6636 1970428 ChemDiv1_000363 COc1ccc(NCN2C(=O)S/C(=C/c3ccc4OCOc4c3)/C2=O)cc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 A12 compound treatment 0.24 -0.00694 -0.34 0.259 0.00897 0.46 0.0849 0.1479 1970429 ChemDiv1_000364 Clc1ccccc1Nc2ccc(Nc3ccccc3Cl)c4C(=O)c5ccccc5C(=O)c24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 A13 compound treatment 0.236 -0.0109 -0.54 0.243 -0.00703 -0.36 -0.6368 -0.9813 1970430 ChemDiv1_000365 CCCCCC(=O)Nc1nnc(CCOCCOCCc2nnc(NC(=O)CCCCC)s2)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 A14 compound treatment 0.237 -0.00994 -0.49 0.236 -0.014 -0.72 -0.8568 -0.982 1646594 ChemDiv1_000366 CCOC(=O)CN1C(=O)c2ccccc2S1(=O)=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 A15 compound treatment 0.224 -0.0229 -1.13 0.237 -0.013 -0.67 -1.2731 -0.969 1970431 ChemDiv1_000367 Cn1c2ccc(Br)cc2c3nc4ccccc4nc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 A16 compound treatment 0.239 -0.00794 -0.39 0.246 -0.00403 -0.21 -0.4231 -0.9561 1970432 ChemDiv1_000368 CCc1ccc(OCCSc2nc3ccccc3n2CC(=O)O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 A17 compound treatment 0.238 -0.00894 -0.44 0.248 -0.00203 -0.1 -0.3851 -0.8514 1503632 ChemDiv1_000369 OC(=O)Cn1c(SCc2cccc3ccccc23)nc4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 A18 compound treatment 0.229 -0.0179 -0.88 0.244 -0.00603 -0.31 -0.8442 -0.9016 1970433 ChemDiv1_000370 CCOc1ccccc1/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 A19 compound treatment 0.227 -0.0199 -0.98 0.239 -0.011 -0.57 -1.0959 -0.9661 1970434 ChemDiv1_000371 NC(=O)c1cc2cc(Br)ccc2oc1=Nc3ccc(cc3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 A20 compound treatment 0.231 -0.0159 -0.78 0.241 -0.00903 -0.46 -0.8837 -0.9688 1970435 ChemDiv1_000372 CCOc1ccc(cc1)c2csc(n2)c3cc4cc(Br)ccc4oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 A21 compound treatment 0.233 -0.0139 -0.69 0.24 -0.01 -0.52 -0.8505 -0.9902 1970436 ChemDiv1_000373 OC(=O)c1ccc(cc1)N2N=C(CC2c3ccccc3)/C=C/c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 A22 compound treatment 0.233 -0.0139 -0.69 0.245 -0.00503 -0.26 -0.6685 -0.9112 1970437 ChemDiv1_000374 CCSCCOC(=O)C1=C(C)NC(=O)NC1c2cc3OCOc3cc2Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 A23 mock treatment 0.246 -9.35E-4 -0.05 0.248 -0.00203 -0.1 -0.1065 -0.9322 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 A24 mock treatment 0.208 -0.0389 -1.92 0.229 -0.021 -1.08 -2.1216 -0.9634 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 B01 compound treatment 0.262 0.0151 0.74 0.249 -0.00103 -0.05 0.4871 0.6548 1970438 ChemDiv1_000375 COc1ccc(/C=C\2/C(=O)NC(=O)N(C2=O)c3ccc(Br)cc3)c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 B02 compound treatment 0.262 0.0151 0.74 0.267 0.017 0.87 1.1424 0.9967 1970439 ChemDiv1_000376 CSc1nc2ccc(NC(=O)c3cccc(c3)[N+](=O)[O-])cc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 B03 compound treatment 0.256 0.00906 0.45 0.263 0.013 0.67 0.7878 0.9809 1970440 ChemDiv1_000377 CCOc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(Br)cc3)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 B04 compound treatment 0.255 0.00806 0.4 0.261 0.011 0.56 0.6802 0.9852 1300464 ChemDiv1_000378 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3cccc(Cl)c3)c(Br)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 B05 compound treatment 0.261 0.0141 0.69 0.265 0.015 0.77 1.0347 0.9986 1970441 ChemDiv1_000379 COc1cccc2cc(C(=O)NC(=O)C)c(=Nc3cccc(c3)C(F)(F)F)oc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 B06 compound treatment 0.253 0.00606 0.3 0.257 0.00697 0.36 0.4649 0.9959 1970442 ChemDiv1_000380 CCCCOc1ccc(cc1)C(=O)Oc2cc(C)c3oc(C=O)c(C(=O)OCC)c3c2Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 B07 compound treatment 0.259 0.0121 0.59 0.259 0.00897 0.46 0.7467 0.9922 1388754 ChemDiv1_000381 CC(=O)NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=Nc3ccc(C#N)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 B08 compound treatment 0.265 0.0181 0.89 0.263 0.013 0.67 1.1012 0.99 1281496 ChemDiv1_000382 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4)c(Br)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 B09 compound treatment 0.264 0.0171 0.84 0.265 0.015 0.77 1.1392 0.9991 1568607 ChemDiv1_000383 COc1cccc2cc(C(=O)Nc3ccccc3)c(=Nc4ccc(C#N)cc4)oc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 B10 compound treatment 0.26 0.0131 0.64 0.262 0.012 0.62 0.8907 0.9998 1200826 ChemDiv1_000384 CN(C(=O)NC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nc(C)cc(C)n2)S(=O)(=O)c3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 B11 compound treatment 0.252 0.00506 0.25 0.252 0.00197 0.1 0.248 0.9213 1970443 ChemDiv1_000385 OC(=O)C1Cc2c([nH]c3ccccc23)C(N1)c4ccc(Cl)cc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 B12 compound treatment 0.256 0.00906 0.45 0.257 0.00697 0.36 0.5694 0.9941 1970444 ChemDiv1_000386 O=C(Nc1cccc2C(=O)c3ccccc3C(=O)c12)C(c4ccccc4)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 B13 compound treatment 0.266 0.0191 0.94 0.255 0.00497 0.26 0.8448 0.8681 1778358 ChemDiv1_000387 [O-][N+](=O)c1ccc(cc1)C(=O)Nc2ccc(NC(=O)c3ccc(cc3)[N+](=O)[O-])c(c2)c4nc5ccccc5s4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 B14 compound treatment 0.253 0.00606 0.3 0.258 0.00797 0.41 0.5013 0.9878 1915381 ChemDiv1_000388 Cc1nc2cc(NC(=O)c3ccc(cc3)[N+](=O)[O-])ccc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 B15 compound treatment 0.25 0.00306 0.15 0.25 -3.12E-5 0.0 0.1056 0.6995 1091803 ChemDiv1_000389 COC(=O)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 B16 compound treatment 0.259 0.0121 0.59 0.263 0.013 0.67 0.8923 0.9983 1071060 ChemDiv1_000390 COC(=O)C1Cc2c(CN1)[nH]c3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 B17 compound treatment 0.268 0.0211 1.04 0.273 0.023 1.18 1.5697 0.9979 1970445 ChemDiv1_000391 CCOc1cc(/C=C\2/SC(=N)NC2=O)ccc1OCc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 B18 compound treatment 0.263 0.0161 0.79 0.266 0.016 0.82 1.1408 0.9998 1970446 ChemDiv1_000392 OC(=O)CCN1C(=O)/C(=C/c2ccc(Br)cc2)/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 B19 compound treatment 0.39 0.143 7.05 0.395 0.145 7.46 10.2597 0.9996 1970447 ChemDiv1_000393 COc1cc(/C=C\2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc3ccc(cc3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 B20 compound treatment 0.27 0.0231 1.14 0.272 0.022 1.13 1.603 1.0 1970448 ChemDiv1_000394 Cc1cc([N+](=O)[O-])c2[nH]c3C(=O)NCCc3c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 B21 compound treatment 0.256 0.00906 0.45 0.257 0.00697 0.36 0.5694 0.9941 1939032 ChemDiv1_000395 COc1ccccc1OCCSc2nc3ccccc3n2CCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 B22 compound treatment 0.278 0.0311 1.53 0.268 0.018 0.93 1.736 0.971 1970449 ChemDiv1_000396 OC(=O)CN1C(=O)/C(=C\c2cccc(OC(=O)c3ccccc3)c2)/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 B23 mock treatment 0.252 0.00506 0.25 0.256 0.00597 0.31 0.3937 0.9946 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 B24 mock treatment 0.219 -0.0279 -1.38 0.244 -0.00603 -0.31 -1.1925 -0.8454 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 C01 compound treatment 0.233 -0.0139 -0.69 0.234 -0.016 -0.83 -1.0689 -0.9958 1970450 ChemDiv1_000397 CCOC(=O)c1c(oc2c1cc(OC(=O)c3ccccc3OC)c4ccccc24)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 C02 compound treatment 0.246 -9.35E-4 -0.05 0.245 -0.00503 -0.26 -0.2157 -0.82 1970451 ChemDiv1_000398 CC(=O)c1ccc(cc1)C(=O)Nc2ccccc2c3nc4ccccc4[nH]3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 C03 compound treatment 0.243 -0.00394 -0.19 0.241 -0.00903 -0.46 -0.4658 -0.9248 1970452 ChemDiv1_000399 CCOC(=O)c1c(oc2c1cc(OC(=O)c3cccs3)c4ccccc24)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 C04 compound treatment 0.248 0.00106 0.05 0.248 -0.00203 -0.1 -0.0369 -0.3152 1970453 ChemDiv1_000400 O=C(OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N4CCCCC4)c5ccc(cc5)S(=O)(=O)N6CCCCC6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 C05 compound treatment 0.256 0.00906 0.45 0.259 0.00897 0.46 0.6422 0.9999 1328515 ChemDiv1_000401 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4cccs4)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 C06 compound treatment 0.249 0.00206 0.1 0.249 -0.00103 -0.05 0.0344 0.2995 1970454 ChemDiv1_000402 Brc1cccc(c1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 C07 compound treatment 0.267 0.0201 0.99 0.265 0.015 0.77 1.2437 0.9924 1970455 ChemDiv1_000403 COc1ccc(/C=C\2/SC(=O)N(CNc3ccccc3Br)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 C08 compound treatment 0.257 0.0101 0.5 0.258 0.00797 0.41 0.6406 0.9956 1970456 ChemDiv1_000404 [O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 C09 compound treatment 0.268 0.0211 1.04 0.267 0.017 0.87 1.3513 0.9963 1462982 ChemDiv1_000405 CC(=O)Nc1nc2ccc(NC(=O)c3ccc(N)cc3)cc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 C10 compound treatment 0.246 -9.35E-4 -0.05 0.245 -0.00503 -0.26 -0.2157 -0.82 1384064 ChemDiv1_000406 O=C(Nc1ccccc1c2nc3ccccc3s2)c4ccc(cc4)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 C11 compound treatment 0.25 0.00306 0.15 0.252 0.00197 0.1 0.1784 0.9812 1970457 ChemDiv1_000407 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc3ccccc3[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 C12 compound treatment 0.292 0.0451 2.22 0.295 0.045 2.32 3.2064 0.9998 1944606 ChemDiv1_000408 CCOC(=O)c1c(NC(=O)CSc2nc3ccccc3[nH]2)sc4CCCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 C13 compound treatment 0.247 6.45E-5 0.0 0.246 -0.00403 -0.21 -0.1445 -0.6962 1489253 ChemDiv1_000409 CN1CCc2c(C1)[nH]c3ccc(C)cc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 C14 compound treatment 0.243 -0.00394 -0.19 0.248 -0.00203 -0.1 -0.211 -0.9581 1397274 ChemDiv1_000410 OC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 C15 compound treatment 0.24 -0.00694 -0.34 0.246 -0.00403 -0.21 -0.3883 -0.9715 1970458 ChemDiv1_000411 COc1cccc(c1)N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(Br)c3)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 C16 compound treatment 0.253 0.00606 0.3 0.252 0.00197 0.1 0.2829 0.8968 1970459 ChemDiv1_000412 Cc1ccc(/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 C17 compound treatment 0.253 0.00606 0.3 0.253 0.00297 0.15 0.3193 0.9516 1970460 ChemDiv1_000413 Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)O)cc1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 C18 compound treatment 0.255 0.00806 0.4 0.258 0.00797 0.41 0.5709 0.9999 1970461 ChemDiv1_000414 CCOc1ccc(/C=C(\C#N)/c2nc(cs2)c3cc4c(ccc5ccccc54)oc3=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 C19 compound treatment 0.243 -0.00394 -0.19 0.245 -0.00503 -0.26 -0.3202 -0.9898 1970462 ChemDiv1_000415 NC(=O)c1cc2cc(Br)ccc2oc1=Nc3cccc(c3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 C20 compound treatment 0.246 -9.35E-4 -0.05 0.246 -0.00403 -0.21 -0.1793 -0.8436 1970463 ChemDiv1_000416 COc1ccc(/C=C(\C#N)/c2nc(cs2)c3cc4c(ccc5ccccc54)oc3=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 C21 compound treatment 0.242 -0.00494 -0.24 0.245 -0.00503 -0.26 -0.355 -0.9995 1418426 ChemDiv1_000417 CC(Sc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 C22 compound treatment 0.267 0.0201 0.99 0.254 0.00397 0.2 0.8433 0.8356 1920105 ChemDiv1_000418 CC1=C(C(NC(=O)N1)c2ccc(Cl)c(Cl)c2)C(=O)OCC(F)(F)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 C23 mock treatment 0.238 -0.00894 -0.44 0.241 -0.00903 -0.46 -0.64 -0.9996 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 C24 mock treatment 0.237 -0.00994 -0.49 0.237 -0.013 -0.67 -0.8204 -0.988 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 D01 compound treatment 0.25 0.00306 0.15 0.249 -0.00103 -0.05 0.0692 0.4324 1970464 ChemDiv1_000419 COc1ccccc1N2C(=O)NC(=O)/C(=C/NCC3(C)CC(O)CC(C)(C)C3)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 D02 compound treatment 0.283 0.0361 1.78 0.281 0.031 1.59 2.3834 0.9985 1594060 ChemDiv1_000420 CSc1nc2ccc(NC(=O)c3cccc(C)c3)cc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 D03 compound treatment 0.268 0.0211 1.04 0.268 0.018 0.93 1.3877 0.9984 1970465 ChemDiv1_000421 Brc1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3c[nH]c4ccccc34)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 D04 compound treatment 0.252 0.00506 0.25 0.253 0.00297 0.15 0.2845 0.9724 1561735 ChemDiv1_000422 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3ccc(Cl)cc3)c(Br)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 D05 compound treatment 0.253 0.00606 0.3 0.254 0.00397 0.2 0.3557 0.9828 1469813 ChemDiv1_000423 CC(=O)NC(=O)c1cc2cc(Br)ccc2oc1=Nc3ccc(C#N)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 D06 compound treatment 0.252 0.00506 0.25 0.253 0.00297 0.15 0.2845 0.9724 1556839 ChemDiv1_000424 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3cc(C)cc(C)c3)c(Br)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 D07 compound treatment 0.261 0.0141 0.69 0.257 0.00697 0.36 0.7435 0.9531 1317768 ChemDiv1_000425 CC(=O)NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=Nc3cccc(C#N)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 D08 compound treatment 0.259 0.0121 0.59 0.26 0.00997 0.51 0.7831 0.9973 1970466 ChemDiv1_000426 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3ccc(cc3Cl)[N+](=O)[O-])c(Br)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 D09 compound treatment 0.252 0.00506 0.25 0.251 9.69E-4 0.05 0.2116 0.832 1970467 ChemDiv1_000427 OC(=O)C1Cc2c([nH]c3ccccc23)C(N1)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 D10 compound treatment 0.252 0.00506 0.25 0.255 0.00497 0.26 0.3573 0.9999 1970468 ChemDiv1_000428 CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)NC1c3c(OCC)ccc4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 D11 compound treatment 0.267 0.0201 0.99 0.268 0.018 0.93 1.3529 0.9995 1970469 ChemDiv1_000429 CN(C)c1ccc(cc1)C2NC(Cc3c2[nH]c4ccccc34)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 D12 compound treatment 0.262 0.0151 0.74 0.262 0.012 0.62 0.9603 0.9957 1434310 ChemDiv1_000430 CCNc1nc(NCC)nc(SCC(=O)c2ccc(OC)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 D13 compound treatment 0.269 0.0221 1.09 0.267 0.017 0.87 1.3861 0.9941 1602658 ChemDiv1_000431 CSc1nnc-2c(OC(Nc3ccccc32)c4ccccc4F)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 D14 compound treatment 0.269 0.0221 1.09 0.269 0.019 0.98 1.4589 0.9986 1580527 ChemDiv1_000432 COc1ccc(cc1)C(=O)Nc2ccc3sc(C)nc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 D15 compound treatment 0.256 0.00906 0.45 0.259 0.00897 0.46 0.6422 0.9999 1194451 ChemDiv1_000433 NC(=O)c1cc2c(ccc3ccccc32)oc1=Nc4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 D16 compound treatment 0.26 0.0131 0.64 0.259 0.00897 0.46 0.7815 0.9867 1970470 ChemDiv1_000434 O=C/1N(C(=S)S\C1=C/c2ccc(o2)c3cccc4C(=O)c5ccccc5C(=O)c34)c6ccccc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 D17 compound treatment 0.548 0.301 14.83 0.574 0.324 16.68 22.2784 0.9983 1970471 ChemDiv1_000435 CCOc1cc(/C=C\2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 D18 compound treatment 0.26 0.0131 0.64 0.261 0.011 0.56 0.8543 0.9979 1970472 ChemDiv1_000436 COc1ccc(/C=C\2/SC(=S)N(CCC(=O)Nc3c(C)n(C)n(c4ccccc4)c3=O)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 D19 compound treatment 0.254 0.00706 0.35 0.254 0.00397 0.2 0.3905 0.9678 1970473 ChemDiv1_000437 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc3ccc(cc3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 D20 compound treatment 0.254 0.00706 0.35 0.258 0.00797 0.41 0.5361 0.9966 1018081 ChemDiv1_000438 OC(=O)CCSc1ncnc2[nH]cnc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 D21 compound treatment 0.251 0.00406 0.2 0.254 0.00397 0.2 0.286 0.9999 1583013 ChemDiv1_000439 CCCn1c(SCC(=O)O)nc2ccccc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 D22 compound treatment 0.297 0.0501 2.47 0.299 0.049 2.52 3.5262 0.9999 1970474 ChemDiv1_000440 COc1cc(OC)cc(/C=C\2/SC(=S)N(CC(=O)O)C2=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 D23 mock treatment 0.25 0.00306 0.15 0.252 0.00197 0.1 0.1784 0.9812 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 D24 mock treatment 0.243 -0.00394 -0.19 0.248 -0.00203 -0.1 -0.211 -0.9581 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 E01 compound treatment 0.251 0.00406 0.2 0.247 -0.00303 -0.16 0.0312 0.123 1970475 ChemDiv1_000441 CCOC(=O)c1c(oc2c1cc(OC(=O)c3ccc(OCC)cc3)c4ccccc24)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 E02 compound treatment 0.254 0.00706 0.35 0.256 0.00597 0.31 0.4633 0.9981 1970476 ChemDiv1_000442 COc1cc(OC)cc(c1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCCCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 E03 compound treatment 0.256 0.00906 0.45 0.257 0.00697 0.36 0.5694 0.9941 1295659 ChemDiv1_000443 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4ccccc4C)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 E04 compound treatment 0.257 0.0101 0.5 0.257 0.00697 0.36 0.6042 0.9874 1970477 ChemDiv1_000444 O=C(OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N4CCCCC4)c5ccc(cc5)S(=O)(=O)N6CCOCC6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 E05 compound treatment 0.272 0.0251 1.23 0.276 0.026 1.34 1.8182 0.9992 1152470 ChemDiv1_000445 CN1CCN(CC1)c2nc(c3ccccc3)c4cc(Cl)ccc4n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 E06 compound treatment 0.256 0.00906 0.45 0.255 0.00497 0.26 0.4966 0.9651 1970478 ChemDiv1_000446 Brc1ccc(cc1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 E07 compound treatment 0.321 0.0741 3.65 0.323 0.073 3.76 5.2357 0.9999 1970479 ChemDiv1_000447 COc1c(I)cc(I)cc1/C=C\2/SC(=S)N(CC(=O)O)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 E08 compound treatment 0.296 0.0491 2.42 0.296 0.046 2.37 3.3821 0.9999 1970480 ChemDiv1_000448 O=C(OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N4CCOCC4)/C=C/c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 E09 compound treatment 0.256 0.00906 0.45 0.255 0.00497 0.26 0.4966 0.9651 1467811 ChemDiv1_000449 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCOCC4)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 E10 compound treatment 0.291 0.0441 2.17 0.299 0.049 2.52 3.3172 0.9972 1420180 ChemDiv1_000450 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(cc3)c4ccccc4)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 E11 compound treatment 0.268 0.0211 1.04 0.282 0.032 1.65 1.8974 0.9753 1970481 ChemDiv1_000451 COc1cc(/C=C\2/NC(=S)NC2=O)ccc1OCc3ccc(Cl)cc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 E12 compound treatment 0.759 0.512 25.22 0.777 0.527 27.13 37.0166 0.9993 1970482 ChemDiv1_000452 OC(=O)CN1C(=O)/C(=C\c2cc(ccc2O)[N+](=O)[O-])/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 E13 compound treatment 0.353 0.106 5.22 0.344 0.094 4.84 7.1146 0.9993 1970483 ChemDiv1_000453 COc1cc(N(C)C)c(cc1C(=O)NCCN2CCN(C)CC2)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 E14 compound treatment 0.262 0.0151 0.74 0.264 0.014 0.72 1.0331 0.9999 1467796 ChemDiv1_000454 Brc1ccc(cc1S(=O)(=O)N2CCCCC2)C(=O)Nc3ccc(NC(=O)c4ccccc4)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 E15 compound treatment 0.261 0.0141 0.69 0.259 0.00897 0.46 0.8163 0.9806 1970484 ChemDiv1_000455 COc1cccc(c1)N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(c3)[N+](=O)[O-])/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 E16 compound treatment 0.257 0.0101 0.5 0.255 0.00497 0.26 0.5314 0.9526 1970485 ChemDiv1_000456 COc1ccc(/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 E17 compound treatment 0.262 0.0151 0.74 0.263 0.013 0.67 0.9967 0.9986 1936300 ChemDiv1_000457 COc1ccccc1OCCSc2nc3ccccc3n2CC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 E18 compound treatment 0.268 0.0211 1.04 0.268 0.018 0.93 1.3877 0.9984 1970486 ChemDiv1_000458 CCCCOc1ccc(/C=C(\C#N)/c2nc(cs2)c3cc4c(ccc5ccccc54)oc3=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 E19 compound treatment 0.265 0.0181 0.89 0.261 0.011 0.56 1.0284 0.9759 1970487 ChemDiv1_000459 NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=Nc3ccc(cc3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 E20 compound treatment 0.255 0.00806 0.4 0.253 0.00297 0.15 0.3889 0.9139 1020333 ChemDiv1_000460 CC1NC(Cc2c1[nH]c3ccccc23)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 E21 compound treatment 0.254 0.00706 0.35 0.259 0.00897 0.46 0.5725 0.9903 1970488 ChemDiv1_000461 COC(=O)C(C)Sc1nc2ccccc2[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 E22 compound treatment 0.29 0.0431 2.12 0.286 0.036 1.85 2.8092 0.9977 1437133 ChemDiv1_000462 CC1=C(C(NC(=O)N1)c2cc3OCOc3cc2Br)C(=O)OCCc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 E23 mock treatment 0.249 0.00206 0.1 0.252 0.00197 0.1 0.1436 1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 E24 mock treatment 0.25 0.00306 0.15 0.255 0.00497 0.26 0.2876 0.9683 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 F01 compound treatment 0.253 0.00606 0.3 0.252 0.00197 0.1 0.2829 0.8968 1420114 ChemDiv1_000463 C=CCC1C(=O)NC(=S)NC1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 F02 compound treatment 0.271 0.0241 1.19 0.273 0.023 1.18 1.6742 1.0 1682158 ChemDiv1_000464 COc1ccccc1C(=O)Nc2ccc3nc(SC)sc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 F03 compound treatment 0.261 0.0141 0.69 0.264 0.014 0.72 0.9983 0.9998 1970489 ChemDiv1_000465 CCOC(=O)c1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(cc3)N(C)C)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 F04 compound treatment 0.256 0.00906 0.45 0.256 0.00597 0.31 0.533 0.9834 1520504 ChemDiv1_000466 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3ccccc3Br)c(Br)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 F05 compound treatment 0.267 0.0201 0.99 0.272 0.022 1.13 1.4985 0.9977 1477534 ChemDiv1_000467 CC(=O)NC(=O)c1cc2cc(Br)ccc2oc1=Nc3cccc(C#N)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 F06 compound treatment 0.259 0.0121 0.59 0.254 0.00397 0.2 0.5646 0.8986 1537900 ChemDiv1_000468 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(Br)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 F07 compound treatment 0.266 0.0191 0.94 0.265 0.015 0.77 1.2089 0.9952 1226652 ChemDiv1_000469 CC(=O)NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=Nc3ccc(F)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 F08 compound treatment 0.307 0.0601 2.96 0.325 0.075 3.86 4.8209 0.9914 1970490 ChemDiv1_000470 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)/C=C/c3ccccc3)c(Br)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 F09 compound treatment 0.257 0.0101 0.5 0.252 0.00197 0.1 0.4222 0.8344 1055459 ChemDiv1_000471 OC(=O)C1Cc2c(CN1)[nH]c3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 F10 compound treatment 0.276 0.0291 1.43 0.293 0.043 2.21 2.5764 0.9778 1970491 ChemDiv1_000472 Cc1csc2nc(CSc3nc4ccccc4s3)c(Br)n12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 F11 compound treatment 0.258 0.0111 0.54 0.259 0.00897 0.46 0.7118 0.9966 1569024 ChemDiv1_000473 Nc1ncnc2[nH]c(SCc3ccc4nsnc4c3)nc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 F12 compound treatment 0.263 0.0161 0.79 0.263 0.013 0.67 1.0316 0.9964 1970492 ChemDiv1_000474 COc1ccc(cc1)C2CC(=NN2C(=O)CCCl)c3nc4ccccc4[nH]3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 F13 compound treatment 0.297 0.0501 2.47 0.296 0.046 2.37 3.417 0.9998 1501373 ChemDiv1_000475 COc1ccc(cc1Br)C2Nc3ccccc3-c4nnc(SC)nc4O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 F14 compound treatment 0.268 0.0211 1.04 0.263 0.013 0.67 1.2057 0.9773 1921947 ChemDiv1_000476 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccccc4)C(=O)CC(C)(C)C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 F15 compound treatment 0.262 0.0151 0.74 0.262 0.012 0.62 0.9603 0.9957 1970493 ChemDiv1_000477 O=c1oc2ccccc2cc1c3csc(CCCCc4nc(cs4)c5cc6ccccc6oc5=O)n3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 F16 compound treatment 0.259 0.0121 0.59 0.254 0.00397 0.2 0.5646 0.8986 1970494 ChemDiv1_000478 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccc(Br)cc4)C(=O)CC(C)(C)C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 F17 compound treatment 0.336 0.0891 4.39 0.335 0.085 4.37 6.1949 1.0 1970495 ChemDiv1_000479 OC(=O)CN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 F18 compound treatment 0.316 0.0691 3.4 0.333 0.083 4.27 5.4256 0.9936 1970496 ChemDiv1_000480 CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C\c3ccccc3)/SC2=S)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 F19 compound treatment 0.423 0.176 8.67 0.421 0.171 8.8 12.3555 1.0 1939855 ChemDiv1_000481 COc1cc(/C=C\2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 F20 compound treatment 0.259 0.0121 0.59 0.262 0.012 0.62 0.8559 0.9998 1970497 ChemDiv1_000482 OC(=O)Cn1c(SCCOc2ccccc2F)nc3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 F21 compound treatment 0.294 0.0471 2.32 0.313 0.063 3.24 3.9313 0.9865 1970498 ChemDiv1_000483 Cc1ccccc1OCCSc2nc3ccccc3n2CCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 F22 compound treatment 0.335 0.0881 4.34 0.331 0.081 4.17 6.0145 0.9998 1936927 ChemDiv1_000484 COc1cccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3cccc(OC)c3)n2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 F23 mock treatment 0.257 0.0101 0.5 0.26 0.00997 0.51 0.7134 0.9998 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 F24 mock treatment 0.251 0.00406 0.2 0.253 0.00297 0.15 0.2496 0.9911 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 G01 compound treatment 0.246 -9.35E-4 -0.05 0.246 -0.00403 -0.21 -0.1793 -0.8436 1970499 ChemDiv1_000485 CCOC(=O)c1c(oc2c1cc(OC(=O)c3ccc(cc3)[N+](=O)[O-])c4ccccc24)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 G02 compound treatment 0.249 0.00206 0.1 0.252 0.00197 0.1 0.1436 1.0 1970500 ChemDiv1_000486 [O-][N+](=O)c1ccccc1C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCCCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 G03 compound treatment 0.25 0.00306 0.15 0.251 9.69E-4 0.05 0.142 0.8933 1543116 ChemDiv1_000487 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4ccc(C)cc4)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 G04 compound treatment 0.275 0.0281 1.38 0.287 0.037 1.9 2.3232 0.9877 1970501 ChemDiv1_000488 Cc1ccccc1C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 G05 compound treatment 0.264 0.0171 0.84 0.257 0.00697 0.36 0.848 0.9279 1970502 ChemDiv1_000489 COc1ccc(cc1)C2CC(=NN2C(=O)C)c3c(c4ccccc4)c5cc(Br)ccc5[nH]c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 G06 compound treatment 0.268 0.0211 1.04 0.277 0.027 1.39 1.7153 0.9897 1970503 ChemDiv1_000490 Clc1ccc(C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 G07 compound treatment 0.294 0.0471 2.32 0.295 0.045 2.32 3.2761 1.0 1970504 ChemDiv1_000491 OC(=O)CN1C(=O)/C(=C/c2cccc(Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])c2)/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 G08 compound treatment 0.264 0.0171 0.84 0.265 0.015 0.77 1.1392 0.9991 1970505 ChemDiv1_000492 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 G09 compound treatment 0.257 0.0101 0.5 0.257 0.00697 0.36 0.6042 0.9874 1970506 ChemDiv1_000493 [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2ccccc2c3nc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 G10 compound treatment 0.283 0.0361 1.78 0.291 0.041 2.11 2.7474 0.9964 1970507 ChemDiv1_000494 [O-][N+](=O)c1ccccc1C(=O)OCCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCCCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 G11 compound treatment 0.269 0.0221 1.09 0.267 0.017 0.87 1.3861 0.9941 1970508 ChemDiv1_000495 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc3ccc(Cl)cc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 G12 compound treatment 0.355 0.108 5.32 0.357 0.107 5.51 7.6575 0.9999 1970509 ChemDiv1_000496 OC(=O)CN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2O)/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 G13 compound treatment 0.266 0.0191 0.94 0.268 0.018 0.93 1.3181 1.0 1134676 ChemDiv1_000497 Clc1cccc(c1)C(=O)NCCN2CCN(CC2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 G14 compound treatment 0.256 0.00906 0.45 0.254 0.00397 0.2 0.4602 0.9372 1439075 ChemDiv1_000498 CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Oc2cccc3cccnc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 G15 compound treatment 0.293 0.0461 2.27 0.298 0.048 2.47 3.3505 0.9991 1970510 ChemDiv1_000499 COc1cccc(c1)N2C(=O)NC(=O)/C(=C\c3ccc(N(C)C)c(c3)[N+](=O)[O-])/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 G16 compound treatment 0.257 0.0101 0.5 0.257 0.00697 0.36 0.6042 0.9874 1970511 ChemDiv1_000500 Clc1ccc(/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 G17 compound treatment 0.261 0.0141 0.69 0.263 0.013 0.67 0.9619 0.9998 1970512 ChemDiv1_000501 COc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccc3oc(nc3c2)c4cccc(Br)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 G18 compound treatment 0.266 0.0191 0.94 0.267 0.017 0.87 1.2817 0.9993 1970513 ChemDiv1_000502 CCCCCCCCOc1ccc(/C=C(\C#N)/c2nc(cs2)c3cc4ccccc4oc3=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 G19 compound treatment 0.264 0.0171 0.84 0.258 0.00797 0.41 0.8844 0.9456 1970514 ChemDiv1_000503 NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=Nc3cccc(c3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 G20 compound treatment 0.25 0.00306 0.15 0.253 0.00297 0.15 0.2148 1.0 1970515 ChemDiv1_000504 CCCCCCC1C(=O)NC(=S)NC1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 G21 compound treatment 0.254 0.00706 0.35 0.255 0.00497 0.26 0.4269 0.9886 1970516 ChemDiv1_000505 CCOC(=O)CSc1nc2ccccc2n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 G22 compound treatment 0.26 0.0131 0.64 0.262 0.012 0.62 0.8907 0.9998 1285459 ChemDiv1_000506 COc1cc(cc(Br)c1O)C2NC(=O)NC(=C2C(=O)OCCc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 G23 mock treatment 0.25 0.00306 0.15 0.248 -0.00203 -0.1 0.0328 0.1785 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 G24 mock treatment 0.252 0.00506 0.25 0.25 -3.12E-5 0.0 0.1752 0.7025 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 H01 compound treatment 0.245 -0.00194 -0.1 0.24 -0.01 -0.52 -0.4326 -0.8237 1970517 ChemDiv1_000507 CC(CO)(CO)N/C=C\1/C(=O)NC(=O)N(C1=O)c2ccc(Br)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 H02 compound treatment 0.251 0.00406 0.2 0.249 -0.00103 -0.05 0.104 0.5022 1970518 ChemDiv1_000508 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3ccc(NC(=O)c4ccc(cc4)S(=O)(=O)N(CCC)CCC)cc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 H03 compound treatment 0.259 0.0121 0.59 0.262 0.012 0.62 0.8559 0.9998 1970519 ChemDiv1_000509 COc1ccc2oc(=Nc3ccc(cc3)C(F)(F)F)c(cc2c1)C(=O)NC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 H04 compound treatment 0.257 0.0101 0.5 0.255 0.00497 0.26 0.5314 0.9526 1597201 ChemDiv1_000510 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3cccc(Br)c3)c(Br)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 H05 compound treatment 0.263 0.0161 0.79 0.264 0.014 0.72 1.068 0.9989 1970520 ChemDiv1_000511 CC(=O)NC(=O)c1cc2cc(Br)ccc2oc1=Nc3ccc(cc3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 H06 compound treatment 0.268 0.0211 1.04 0.264 0.014 0.72 1.2421 0.984 1423813 ChemDiv1_000512 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3ccc(cc3)C(=O)c4ccccc4)c(Br)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 H07 compound treatment 0.26 0.0131 0.64 0.257 0.00697 0.36 0.7087 0.9619 1324755 ChemDiv1_000513 CC(=O)NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=Nc3cccc(F)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 H08 compound treatment 0.252 0.00506 0.25 0.249 -0.00103 -0.05 0.1388 0.5444 1492881 ChemDiv1_000514 CCOc1ccc(cc1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nc(C)cc(C)n3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 H09 compound treatment 0.256 0.00906 0.45 0.262 0.012 0.62 0.7514 0.9875 1970521 ChemDiv1_000515 CCCCCCCCCC1NC(Cc2c1[nH]c3ccccc23)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 H10 compound treatment 0.266 0.0191 0.94 0.271 0.021 1.08 1.4273 0.9976 1970522 ChemDiv1_000516 Brc1c(CSc2nc3ccccc3s2)nc4sccn14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 H11 compound treatment 0.25 0.00306 0.15 0.249 -0.00103 -0.05 0.0692 0.4324 1118277 ChemDiv1_000517 Nc1ncnc2[nH]c(SCCN3CCCCC3)nc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 H12 compound treatment 0.271 0.0241 1.19 0.261 0.011 0.56 1.2374 0.9425 1970523 ChemDiv1_000518 C1CCN(CC1)c2ncnc3[nH]c(/C=C/c4ccccc4)nc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 H13 compound treatment 0.268 0.0211 1.04 0.267 0.017 0.87 1.3513 0.9963 1275679 ChemDiv1_000519 CSc1nnc-2c(OC(C)(C)Nc3ccccc32)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 H14 compound treatment 0.263 0.0161 0.79 0.262 0.012 0.62 0.9952 0.9924 1937623 ChemDiv1_000520 Cc1c(NC(=O)CCCN2C(=O)c3cccc4cccc(C2=O)c34)c(=O)n(c5ccccc5)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 H15 compound treatment 0.266 0.0191 0.94 0.269 0.019 0.98 1.3545 0.9998 1970524 ChemDiv1_000521 CCc1ccc(Sc2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2Sc5ccc(CC)cc5)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 H16 compound treatment 0.277 0.0301 1.48 0.292 0.042 2.16 2.5748 0.983 1455355 ChemDiv1_000522 CCOC(=O)c1sc(=S)n(c1N)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 H17 compound treatment 0.266 0.0191 0.94 0.267 0.017 0.87 1.2817 0.9993 1970525 ChemDiv1_000523 CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc3ccc(cc3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 H18 compound treatment 0.265 0.0181 0.89 0.257 0.00697 0.36 0.8828 0.9202 1970526 ChemDiv1_000524 CN1CCN(CC1)C(=O)CN2C(=O)S/C(=C\c3ccc(Br)cc3)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 H19 compound treatment 0.296 0.0491 2.42 0.292 0.042 2.16 3.2365 0.9984 1935245 ChemDiv1_000525 OC(=O)CN1C(=O)/C(=C\c2cc(ccc2Cl)[N+](=O)[O-])/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 H20 compound treatment 0.289 0.0421 2.07 0.292 0.042 2.16 2.9927 0.9998 1970527 ChemDiv1_000526 COc1ccc(/C=C\2/SC(=N)NC2=O)cc1OCc3ccc(Cl)cc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 H21 compound treatment 0.258 0.0111 0.54 0.258 0.00797 0.41 0.6754 0.9902 1970528 ChemDiv1_000527 COc1cc(cc(OC)c1OC)C(=O)Oc2ccc3c(OC)c4ccoc4nc3c2OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 H22 compound treatment 0.283 0.0361 1.78 0.299 0.049 2.52 3.0386 0.9853 1937509 ChemDiv1_000528 COc1ccccc1Nc2nc(C)c([N+](=O)[O-])c(Nc3ccccc3OC)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 H23 mock treatment 0.252 0.00506 0.25 0.253 0.00297 0.15 0.2845 0.9724 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 H24 mock treatment 0.256 0.00906 0.45 0.26 0.00997 0.51 0.6786 0.9976 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 I01 compound treatment 0.254 0.00706 0.35 0.241 -0.00903 -0.46 -0.0827 -0.1425 1970529 ChemDiv1_000529 CCOC(=O)c1c(oc2c1cc(OC(=O)c3cc(cc(c3)[N+](=O)[O-])[N+](=O)[O-])c4ccccc24)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 I02 compound treatment 0.254 0.00706 0.35 0.255 0.00497 0.26 0.4269 0.9886 1970530 ChemDiv1_000530 [O-][N+](=O)c1cccc(c1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCCCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 I03 compound treatment 0.261 0.0141 0.69 0.259 0.00897 0.46 0.8163 0.9806 1970531 ChemDiv1_000531 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 I04 compound treatment 0.255 0.00806 0.4 0.257 0.00697 0.36 0.5345 0.9987 1970532 ChemDiv1_000532 Cc1cccc(c1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 I05 compound treatment 0.265 0.0181 0.89 0.268 0.018 0.93 1.2832 0.9998 1970533 ChemDiv1_000533 OC(=O)CN1C(=O)/C(=C\c2ccc(o2)c3ccc(I)cc3)/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 I06 compound treatment 0.258 0.0111 0.54 0.254 0.00397 0.2 0.5298 0.9103 1970534 ChemDiv1_000534 Clc1cc(Cl)cc(c1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 I07 compound treatment 0.307 0.0601 2.96 0.309 0.059 3.04 4.2385 0.9999 1970535 ChemDiv1_000535 COc1cccc(/C=C\2/S/C(=N\c3ccccc3Cl)/NC2=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 I08 compound treatment 0.284 0.0371 1.83 0.285 0.035 1.8 2.5638 1.0 1970536 ChemDiv1_000536 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 I09 compound treatment 0.335 0.0881 4.34 0.34 0.09 4.63 6.3421 0.9995 1970537 ChemDiv1_000537 COc1ccc(/C=C/2\S\C(=N/c3ccccc3Cl)\NC2=O)c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 I10 compound treatment 0.264 0.0171 0.84 0.265 0.015 0.77 1.1392 0.9991 1970538 ChemDiv1_000538 [O-][N+](=O)c1cccc(c1)C(=O)OCCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 I11 compound treatment 0.289 0.0421 2.07 0.293 0.043 2.21 3.0291 0.9995 1970539 ChemDiv1_000539 COc1cc(/C=C\2/SC(=N)NC2=O)ccc1OCc3ccc(Cl)cc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 I12 compound treatment 0.481 0.234 11.53 0.493 0.243 12.51 16.9964 0.9992 1943933 ChemDiv1_000540 OC(=O)CN1C(=O)/C(=C\c2cc(cc(Br)c2O)[N+](=O)[O-])/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 I13 compound treatment 0.333 0.0861 4.24 0.332 0.082 4.22 5.9812 1.0 1970540 ChemDiv1_000541 COc1cc(N(C)C)c(cc1C(=O)NCCN2CCN(CC2)c3ccccc3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 I14 compound treatment 0.273 0.0261 1.28 0.281 0.031 1.59 2.0351 0.9942 1505671 ChemDiv1_000542 O=C1CCCC2=C1C(C3=C(CCCC3=O)O2)c4ccc(cc4)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 I15 compound treatment 0.256 0.00906 0.45 0.253 0.00297 0.15 0.4238 0.898 1207899 ChemDiv1_000543 CC(=O)Nc1ccc(cc1)c2nc(c3ccccc3)c4cc(NC(=O)C)ccc4n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 I16 compound treatment 0.256 0.00906 0.45 0.258 0.00797 0.41 0.6058 0.9991 1970541 ChemDiv1_000544 Clc1ccccc1/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 I17 compound treatment 0.264 0.0171 0.84 0.266 0.016 0.82 1.1756 0.9999 1970542 ChemDiv1_000545 Cc1cccc(c1)c2nc3cc(NC(=O)c4cc([N+](=O)[O-])c(C)c(c4)[N+](=O)[O-])ccc3o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 I18 compound treatment 0.263 0.0161 0.79 0.262 0.012 0.62 0.9952 0.9924 1970543 ChemDiv1_000546 [O-][N+](=O)c1ccccc1/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 I19 compound treatment 0.268 0.0211 1.04 0.268 0.018 0.93 1.3877 0.9984 1970544 ChemDiv1_000547 CCN(CC)c1ccc2cc(C(=O)N)c(=Nc3ccc(cc3)C(F)(F)F)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 I20 compound treatment 0.267 0.0201 0.99 0.261 0.011 0.56 1.0981 0.9648 1970545 ChemDiv1_000548 COc1ccccc1N2C(=O)NC(=O)/C(=C/c3cn(C(=O)C)c4ccccc34)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 I21 compound treatment 0.254 0.00706 0.35 0.259 0.00897 0.46 0.5725 0.9903 1970546 ChemDiv1_000549 COc1ccc(C2SCC(=O)N2c3c(C)n(C)n(c4ccccc4)c3=O)c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 I22 compound treatment 0.259 0.0121 0.59 0.26 0.00997 0.51 0.7831 0.9973 1970547 ChemDiv1_000550 COc1nc(cc(c1C#N)c2ccc(Cl)cc2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 I23 mock treatment 0.252 0.00506 0.25 0.254 0.00397 0.2 0.3209 0.9951 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 I24 mock treatment 0.254 0.00706 0.35 0.254 0.00397 0.2 0.3905 0.9678 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 J01 compound treatment 0.246 -9.35E-4 -0.05 0.247 -0.00303 -0.16 -0.1429 -0.8784 1526110 ChemDiv1_000551 CN1C(=O)N(C)C(=O)C(=C(NCCN2CCCCC2)c3ccccc3Cl)C1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 J02 compound treatment 0.247 6.45E-5 0.0 0.245 -0.00503 -0.26 -0.1809 -0.6984 1135087 ChemDiv1_000552 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3ccccc3C)c(Br)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 J03 compound treatment 0.26 0.0131 0.64 0.261 0.011 0.56 0.8543 0.9979 1970548 ChemDiv1_000553 COc1ccc2oc(=Nc3cccc(c3)C(F)(F)F)c(cc2c1)C(=O)NC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 J04 compound treatment 0.265 0.0181 0.89 0.268 0.018 0.93 1.2832 0.9998 1267694 ChemDiv1_000554 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3cccc(OC)c3)c(Br)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 J05 compound treatment 0.279 0.0321 1.58 0.269 0.019 0.98 1.8072 0.9733 1970549 ChemDiv1_000555 CC(=O)NC(=O)c1cc2cc(Br)ccc2oc1=Nc3cccc(c3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 J06 compound treatment 0.255 0.00806 0.4 0.25 -3.12E-5 0.0 0.2797 0.7042 1159004 ChemDiv1_000556 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3ccc(Cl)cc3Cl)c(Br)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 J07 compound treatment 0.256 0.00906 0.45 0.256 0.00597 0.31 0.533 0.9834 1362522 ChemDiv1_000557 COc1ccc2oc(=Nc3ccc(C#N)cc3)c(cc2c1)C(=O)Nc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 J08 compound treatment 0.255 0.00806 0.4 0.259 0.00897 0.46 0.6073 0.9972 1379546 ChemDiv1_000558 Cn1c(=O)n(C)c2nc(N3CCCCCC3)n(Cc4cccc(Br)c4)c2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 J09 compound treatment 0.258 0.0111 0.54 0.261 0.011 0.56 0.7846 0.9998 1970550 ChemDiv1_000559 OC(=O)C1Cc2c([nH]c3ccccc23)C(N1)c4ccccc4[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 J10 compound treatment 0.258 0.0111 0.54 0.261 0.011 0.56 0.7846 0.9998 1970551 ChemDiv1_000560 Cc1ccc2sc(NC(=O)c3ccc(cc3)S(=O)(=O)N(CCCl)CCCl)nc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 J11 compound treatment 0.268 0.0211 1.04 0.276 0.026 1.34 1.6789 0.9921 1496154 ChemDiv1_000561 O=c1n(c(CSc2ncnc3[nH]cnc23)nc4ccccc14)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 J12 compound treatment 0.252 0.00506 0.25 0.255 0.00497 0.26 0.3573 0.9999 1775089 ChemDiv1_000562 [O-][N+](=O)c1cccc(c1)c2nc(nc(n2)c3ccccc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 J13 compound treatment 0.252 0.00506 0.25 0.246 -0.00403 -0.21 0.0296 0.0913 1970552 ChemDiv1_000563 COc1ccc(OCCSc2nc3ccccc3n2CCO)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 J14 compound treatment 0.344 0.0971 4.78 0.33 0.08 4.12 6.2915 0.9972 1970553 ChemDiv1_000564 [O-][N+](=O)c1ccccc1C(=O)Nc2ccccc2c3nc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 J15 compound treatment 0.264 0.0171 0.84 0.256 0.00597 0.31 0.8116 0.9069 1658634 ChemDiv1_000565 CC(C)c1ccc(cc1)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 J16 compound treatment 0.288 0.0411 2.02 0.302 0.052 2.68 3.3219 0.9905 1970554 ChemDiv1_000566 COc1ccc(CC2S/C(=N\c3ccc(Cl)cc3)/NC2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 J17 compound treatment 0.274 0.0271 1.33 0.28 0.03 1.54 2.0335 0.9973 1970555 ChemDiv1_000567 CCOc1cc(/C=C\2/SC(=N)NC2=O)ccc1OCc3ccc(cc3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 J18 compound treatment 0.255 0.00806 0.4 0.253 0.00297 0.15 0.3889 0.9139 1917461 ChemDiv1_000568 Cc1c(NC(=O)CCN2C(=O)/C(=C\c3ccc(Cl)cc3)/SC2=S)c(=O)n(c4ccccc4)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 J19 compound treatment 0.272 0.0251 1.23 0.27 0.02 1.03 1.5998 0.9959 1970556 ChemDiv1_000569 OC(=O)CCn1c(SCCOc2ccc(Cl)cc2)nc3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 J20 compound treatment 0.285 0.0381 1.87 0.282 0.032 1.65 2.4894 0.9979 1926764 ChemDiv1_000570 COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OCc3ccc(Cl)cc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 J21 compound treatment 0.256 0.00906 0.45 0.256 0.00597 0.31 0.533 0.9834 1970557 ChemDiv1_000571 CC(=O)Nc1nc2ccccc2[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 J22 compound treatment 0.252 0.00506 0.25 0.252 0.00197 0.1 0.248 0.9213 1970558 ChemDiv1_000572 Fc1ccccc1/C=C\2/SC(=O)N(CNc3ccc(Br)cc3)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 J23 mock treatment 0.248 0.00106 0.05 0.25 -3.12E-5 0.0 0.0359 0.6851 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 J24 mock treatment 0.249 0.00206 0.1 0.256 0.00597 0.31 0.2892 0.8935 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 K01 compound treatment 0.251 0.00406 0.2 0.246 -0.00403 -0.21 -0.0052 -0.018 1970559 ChemDiv1_000573 CCOC(=O)c1c(oc2c1cc(OC(=O)c3ccc(Cl)cc3Cl)c4ccccc24)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 K02 compound treatment 0.255 0.00806 0.4 0.257 0.00697 0.36 0.5345 0.9987 1970560 ChemDiv1_000574 [O-][N+](=O)c1ccc(cc1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCCCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 K03 compound treatment 0.258 0.0111 0.54 0.258 0.00797 0.41 0.6754 0.9902 1970561 ChemDiv1_000575 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4ccc(cc4)c5ccccc5)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 K04 compound treatment 0.267 0.0201 0.99 0.272 0.022 1.13 1.4985 0.9977 1970562 ChemDiv1_000576 Clc1ccc(cc1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 K05 compound treatment 0.267 0.0201 0.99 0.266 0.016 0.82 1.2801 0.9958 1970563 ChemDiv1_000577 OC(=O)CN1C(=O)/C(=C\c2ccc(o2)c3ccc(cc3Cl)[N+](=O)[O-])/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 K06 compound treatment 0.26 0.0131 0.64 0.257 0.00697 0.36 0.7087 0.9619 1970564 ChemDiv1_000578 COc1cc(OC)cc(c1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 K07 compound treatment 0.295 0.0481 2.37 0.303 0.053 2.73 3.6021 0.9975 1970565 ChemDiv1_000579 Clc1ccccc1/N=C\2/NC(=O)/C(=C\c3cc4OCOc4cc3Br)/S2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 K08 compound treatment 0.262 0.0151 0.74 0.261 0.011 0.56 0.9239 0.9909 1970566 ChemDiv1_000580 O=C(OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N4CCOCC4)c5ccc(cc5)S(=O)(=O)N6CCCCC6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 K09 compound treatment 0.307 0.0601 2.96 0.321 0.071 3.65 4.6753 0.9945 1970567 ChemDiv1_000581 Oc1c(/C=C/2\S\C(=N/c3ccccc3Cl)\NC2=O)cccc1[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 K10 compound treatment 0.267 0.0201 0.99 0.27 0.02 1.03 1.4257 0.9998 1970568 ChemDiv1_000582 [O-][N+](=O)c1ccc(C(=O)OCCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5)c(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 K11 compound treatment 0.253 0.00606 0.3 0.25 -3.12E-5 0.0 0.2101 0.7033 1970569 ChemDiv1_000583 [O-][N+](=O)c1ccc(cc1)C(=O)Nc2nnc(CCOCCc3nnc(NC(=O)c4ccc(cc4)[N+](=O)[O-])s3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 K12 compound treatment 0.289 0.0421 2.07 0.293 0.043 2.21 3.0291 0.9995 1970570 ChemDiv1_000584 OC(=O)CN1C(=O)/C(=C\c2cc(Br)cc(Cl)c2O)/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 K13 compound treatment 0.252 0.00506 0.25 0.249 -0.00103 -0.05 0.1388 0.5444 1453809 ChemDiv1_000585 NNC(=O)c1ccc2OCCOc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 K14 compound treatment 0.258 0.0111 0.54 0.256 0.00597 0.31 0.6026 0.9632 1541674 ChemDiv1_000586 CC1(C)OC2C(CSC#N)OC(C2O1)n3cnc4c(O)ncnc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 K15 compound treatment 0.279 0.0321 1.58 0.277 0.027 1.39 2.0984 0.9979 1578254 ChemDiv1_000587 COc1ccc(OC)c(C2NC(=O)NC(=C2C(=O)OCCc3ccccc3)C)c1Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 K16 compound treatment 0.26 0.0131 0.64 0.254 0.00397 0.2 0.5995 0.8879 1970571 ChemDiv1_000588 Clc1ccc(/C=C(\C#N)/c2nc(cs2)c3cc4c(ccc5ccccc54)oc3=O)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 K17 compound treatment 0.274 0.0271 1.33 0.277 0.027 1.39 1.9243 0.9998 1777778 ChemDiv1_000589 COc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccc3oc(nc3c2)c4cccc5ccccc45 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 K18 compound treatment 0.259 0.0121 0.59 0.264 0.014 0.72 0.9287 0.9955 1970572 ChemDiv1_000590 [O-][N+](=O)c1ccccc1/C=C(\C#N)/c2nc(cs2)c3cc4c(ccc5ccccc54)oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 K19 compound treatment 0.267 0.0201 0.99 0.273 0.023 1.18 1.5349 0.996 1970573 ChemDiv1_000591 FC(F)(F)c1cccc(NC(=O)c2cc3cc(Br)ccc3oc2=N)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 K20 compound treatment 0.256 0.00906 0.45 0.252 0.00197 0.1 0.3874 0.8461 1013283 ChemDiv1_000592 CCOC(=O)CSc1nc2ccccc2[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 K21 compound treatment 0.258 0.0111 0.54 0.26 0.00997 0.51 0.7482 0.9995 1323959 ChemDiv1_000593 Cn1c(SCC(=O)OCC(=O)c2ccc(Cl)cc2)nc3n(C)c(=O)[nH]c(=O)c13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 K22 compound treatment 0.26 0.0131 0.64 0.262 0.012 0.62 0.8907 0.9998 1921193 ChemDiv1_000594 COc1cc(Br)cc(/C=C/2\Sc3ccccc3C2=O)c1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 K23 mock treatment 0.252 0.00506 0.25 0.253 0.00297 0.15 0.2845 0.9724 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 K24 mock treatment 0.247 6.45E-5 0.0 0.255 0.00497 0.26 0.1831 0.7158 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 L01 compound treatment 0.251 0.00406 0.2 0.255 0.00497 0.26 0.3224 0.9926 1970574 ChemDiv1_000595 CCOc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(O)c(OCC)c3)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 L02 compound treatment 0.254 0.00706 0.35 0.253 0.00297 0.15 0.3541 0.9318 1350240 ChemDiv1_000596 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3cccc(C)c3)c(Br)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 L03 compound treatment 0.256 0.00906 0.45 0.254 0.00397 0.2 0.4602 0.9372 1970575 ChemDiv1_000597 COc1ccc2cc(C(=O)NC(=O)C)c(=Nc3ccc(cc3)C(F)(F)F)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 L04 compound treatment 0.263 0.0161 0.79 0.268 0.018 0.93 1.2136 0.997 1970576 ChemDiv1_000598 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3ccccc3[N+](=O)[O-])c(Br)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 L05 compound treatment 0.263 0.0161 0.79 0.258 0.00797 0.41 0.8496 0.9532 1720511 ChemDiv1_000599 CC(=O)NC(=O)c1cc2cc(Br)ccc2oc1=Nc3ccc(F)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 L06 compound treatment 0.258 0.0111 0.54 0.259 0.00897 0.46 0.7118 0.9966 1429092 ChemDiv1_000600 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3cc(Cl)cc(Cl)c3)c(Br)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 L07 compound treatment 0.258 0.0111 0.54 0.257 0.00697 0.36 0.639 0.9794 1545133 ChemDiv1_000601 COc1ccc2oc(=Nc3cccc(C#N)c3)c(cc2c1)C(=O)Nc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 L08 compound treatment 0.254 0.00706 0.35 0.258 0.00797 0.41 0.5361 0.9966 1352659 ChemDiv1_000602 CCC(C)Sc1nc2n(C)c(=O)[nH]c(=O)c2n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 L09 compound treatment 0.255 0.00806 0.4 0.254 0.00397 0.2 0.4253 0.9522 1970577 ChemDiv1_000603 OC(=O)C1Cc2c([nH]c3ccccc23)C(N1)c4ccccc4Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 L10 compound treatment 0.257 0.0101 0.5 0.251 9.69E-4 0.05 0.3858 0.7743 1970578 ChemDiv1_000604 ClCCN(CCCl)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3ccc4ccccc4c3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 L11 compound treatment 0.252 0.00506 0.25 0.259 0.00897 0.46 0.5029 0.9582 1970579 ChemDiv1_000605 Nc1ncnc2[nH]c(SCc3nc4ccccc4c(=O)n3c5cccc(c5)C(F)(F)F)nc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 L12 compound treatment 0.262 0.0151 0.74 0.26 0.00997 0.51 0.8875 0.9838 1048179 ChemDiv1_000606 Sc1nncc2ccccc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 L13 compound treatment 0.262 0.0151 0.74 0.262 0.012 0.62 0.9603 0.9957 1970580 ChemDiv1_000607 FC(F)(F)c1cccc(Nc2nc(cs2)c3cc4cc(Br)ccc4oc3=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 L14 compound treatment 0.254 0.00706 0.35 0.255 0.00497 0.26 0.4269 0.9886 1970581 ChemDiv1_000608 COc1ccc(cc1)N2C(=O)C3C(C4C=CC3C5C4C(=O)N(C5=O)c6ccc(OC)cc6)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 L15 compound treatment 0.26 0.0131 0.64 0.26 0.00997 0.51 0.8179 0.9937 1970582 ChemDiv1_000609 O=C(NCCCCCCOC1=NS(=O)(=O)c2ccccc12)C(=O)Nc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 L16 compound treatment 0.263 0.0161 0.79 0.267 0.017 0.87 1.1772 0.9988 1970583 ChemDiv1_000610 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C2c3cn(nc3c4ccccc4)c5ccccc5)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 L17 compound treatment 0.334 0.0871 4.29 0.342 0.092 4.73 6.3801 0.9988 1970584 ChemDiv1_000611 OC(=O)CN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 L18 compound treatment 0.451 0.204 10.05 0.447 0.197 10.14 14.2771 1.0 1970585 ChemDiv1_000612 CCN(CC)CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(OC)cc3)/SC2=S)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 L19 compound treatment 0.26 0.0131 0.64 0.256 0.00597 0.31 0.6723 0.9428 1970586 ChemDiv1_000613 COc1ccc(OCCSc2nc3ccccc3n2CCC(=O)O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 L20 compound treatment 0.286 0.0391 1.92 0.286 0.036 1.85 2.6698 0.9998 1970587 ChemDiv1_000614 COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OCc3ccc(Cl)cc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 L21 compound treatment 0.257 0.0101 0.5 0.252 0.00197 0.1 0.4222 0.8344 1970588 ChemDiv1_000615 C=CCSc1nnc(COc2ccccc2)o1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 L22 compound treatment 0.26 0.0131 0.64 0.258 0.00797 0.41 0.7451 0.9764 1970589 ChemDiv1_000616 Fc1ccccc1/C=C\2/SC(=O)N(CNc3cccc(Br)c3)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 L23 mock treatment 0.255 0.00806 0.4 0.255 0.00497 0.26 0.4617 0.9773 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 L24 mock treatment 0.251 0.00406 0.2 0.249 -0.00103 -0.05 0.104 0.5022 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 M01 compound treatment 0.24 -0.00694 -0.34 0.245 -0.00503 -0.26 -0.4247 -0.9907 1365071 ChemDiv1_000617 CCOC(=O)c1c(oc2c1cc(OC(=O)Cc3ccccc3)c4ccccc24)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 M02 compound treatment 0.254 0.00706 0.35 0.252 0.00197 0.1 0.3177 0.8766 1970590 ChemDiv1_000618 [O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCCCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 M03 compound treatment 0.253 0.00606 0.3 0.258 0.00797 0.41 0.5013 0.9878 1970591 ChemDiv1_000619 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4ccc(cc4)C(=O)c5ccccc5)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 M04 compound treatment 0.267 0.0201 0.99 0.27 0.02 1.03 1.4257 0.9998 1970592 ChemDiv1_000620 Clc1cccc(c1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 M05 compound treatment 0.298 0.0511 2.52 0.287 0.037 1.9 3.1242 0.9905 1970593 ChemDiv1_000621 CCN(CC)c1ccc(/C=C\2/SC(=O)N(CNc3ccccc3OC)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 M06 compound treatment 0.289 0.0421 2.07 0.297 0.047 2.42 3.1748 0.997 1970594 ChemDiv1_000622 COc1cc(cc(OC)c1OC)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 M07 compound treatment 0.26 0.0131 0.64 0.261 0.011 0.56 0.8543 0.9979 1970595 ChemDiv1_000623 Brc1ccc(cc1C(=O)Nc2ccccc2)S(=O)(=O)Nc3ccc(NC(=O)c4ccccc4)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 M08 compound treatment 0.259 0.0121 0.59 0.261 0.011 0.56 0.8195 0.9997 1970596 ChemDiv1_000624 O=C(OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N4CCOCC4)c5ccc(cc5)S(=O)(=O)N6CCOCC6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 M09 compound treatment 0.26 0.0131 0.64 0.261 0.011 0.56 0.8543 0.9979 1970597 ChemDiv1_000625 COc1ccc(/C=C\2/SC(=O)N(CNc3ccc(OC)c(Cl)c3)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 M10 compound treatment 0.285 0.0381 1.87 0.29 0.04 2.06 2.7806 0.9989 1970598 ChemDiv1_000626 O=C(OCCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N4CCOCC4)/C=C\c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 M11 compound treatment 0.252 0.00506 0.25 0.256 0.00597 0.31 0.3937 0.9946 1970599 ChemDiv1_000627 O=C(Nc1nnc(CCOCCOCCc2nnc(NC(=O)c3ccccc3)s2)s1)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 M12 compound treatment 0.581 0.334 16.45 0.611 0.361 18.58 24.7746 0.9982 1970600 ChemDiv1_000628 COc1cc(OC)c(/C=C\2/SC(=S)N(CC(=O)O)C2=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 M13 compound treatment 0.261 0.0141 0.69 0.265 0.015 0.77 1.0347 0.9986 1970601 ChemDiv1_000629 [O-][N+](=O)c1cccc(c1)C2Oc3ccccc3C4CC(=NN42)c5ccc(Br)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 M14 compound treatment 0.254 0.00706 0.35 0.257 0.00697 0.36 0.4997 0.9999 1970602 ChemDiv1_000630 CC1(C)OC2C(COS(=O)(=O)C)OC(C2O1)n3cnc4c(O)ncnc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 M15 compound treatment 0.252 0.00506 0.25 0.256 0.00597 0.31 0.3937 0.9946 1719513 ChemDiv1_000631 CCOC(=O)c1c(NC(=O)c2cc3cc(OC)ccc3oc2=O)sc4CCCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 M16 compound treatment 0.255 0.00806 0.4 0.254 0.00397 0.2 0.4253 0.9522 1970603 ChemDiv1_000632 Clc1cccc(/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 M17 compound treatment 0.285 0.0381 1.87 0.283 0.033 1.7 2.5258 0.9988 1175489 ChemDiv1_000633 COc1ccccc1C(=O)Nc2ccc3oc(nc3c2)c4ccccc4Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 M18 compound treatment 0.258 0.0111 0.54 0.258 0.00797 0.41 0.6754 0.9902 1970604 ChemDiv1_000634 [O-][N+](=O)c1ccc(/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 M19 compound treatment 0.262 0.0151 0.74 0.266 0.016 0.82 1.106 0.9987 1970605 ChemDiv1_000635 CCN(CC)c1ccc2cc(C(=O)Nc3cccc(c3)C(F)(F)F)c(=O)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 M20 compound treatment 0.259 0.0121 0.59 0.262 0.012 0.62 0.8559 0.9998 1313489 ChemDiv1_000636 CN(C)c1ccc(cc1)c2nc3cc(NC(=O)c4cccc(Br)c4)ccc3o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 M21 compound treatment 0.252 0.00506 0.25 0.251 9.69E-4 0.05 0.2116 0.832 1120811 ChemDiv1_000637 CCOC(=O)C(CC)Sc1nc2n(C)c(=O)[nH]c(=O)c2n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 M22 compound treatment 0.254 0.00706 0.35 0.253 0.00297 0.15 0.3541 0.9318 1776918 ChemDiv1_000638 COc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccc3oc(nc3c2)c4ccccc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 M23 mock treatment 0.25 0.00306 0.15 0.253 0.00297 0.15 0.2148 1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 M24 mock treatment 0.247 6.45E-5 0.0 0.251 9.69E-4 0.05 0.0375 0.7506 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 N01 compound treatment 0.247 6.45E-5 0.0 0.241 -0.00903 -0.46 -0.3265 -0.7023 1970606 ChemDiv1_000639 CCOC(=O)c1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3ccc(OC)cc3OC)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 N02 compound treatment 0.249 0.00206 0.1 0.25 -3.12E-5 0.0 0.0708 0.6958 1709477 ChemDiv1_000640 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3ccc(C)cc3)c(Br)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 N03 compound treatment 0.254 0.00706 0.35 0.252 0.00197 0.1 0.3177 0.8766 1970607 ChemDiv1_000641 COc1ccc2cc(C(=O)NC(=O)C)c(=Nc3cccc(c3)C(F)(F)F)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 N04 compound treatment 0.248 0.00106 0.05 0.249 -0.00103 -0.05 -5.0E-4 -0.0062 1970608 ChemDiv1_000642 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3cccc(c3)[N+](=O)[O-])c(Br)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 N05 compound treatment 0.26 0.0131 0.64 0.262 0.012 0.62 0.8907 0.9998 1388020 ChemDiv1_000643 CC(=O)NC(=O)c1cc2cc(Br)ccc2oc1=Nc3cccc(F)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 N06 compound treatment 0.249 0.00206 0.1 0.25 -3.12E-5 0.0 0.0708 0.6958 1161104 ChemDiv1_000644 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)C3(CC4CC5CC(C4)C3)C5)c(Br)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 N07 compound treatment 0.254 0.00706 0.35 0.256 0.00597 0.31 0.4633 0.9981 1197416 ChemDiv1_000645 COc1ccc2cc(C(=O)Nc3ccccc3)c(=Nc4ccc(C#N)cc4)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 N08 compound treatment 0.244 -0.00294 -0.14 0.248 -0.00203 -0.1 -0.1762 -0.9874 1622113 ChemDiv1_000646 Cn1c(=O)[nH]c(=O)c2n(Cc3cccc(Br)c3)c(S)nc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 N09 compound treatment 0.255 0.00806 0.4 0.259 0.00897 0.46 0.6073 0.9972 1916671 ChemDiv1_000647 OC(=O)C1Cc2c([nH]c3ccccc23)C(N1)c4ccc(O)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 N10 compound treatment 0.289 0.0421 2.07 0.28 0.03 1.54 2.5559 0.9895 1375476 ChemDiv1_000648 O=C(Nc1ccccc1c2nc3ccccc3[nH]2)c4ccc(Oc5ccccc5)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 N11 compound treatment 0.246 -9.35E-4 -0.05 0.252 0.00197 0.1 0.0391 0.3511 1970609 ChemDiv1_000649 O=C1c2ccccc2C(=O)c3c(cccc13)c4cccc5C(=O)c6ccccc6C(=O)c45 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 N12 compound treatment 0.252 0.00506 0.25 0.255 0.00497 0.26 0.3573 0.9999 1687996 ChemDiv1_000650 CCCc1cc2c(=O)c(coc2cc1OC(C)C(=O)OC)c3ccc4OCCCOc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 N13 compound treatment 0.271 0.0241 1.19 0.275 0.025 1.29 1.747 0.9992 1936704 ChemDiv1_000651 O=c1oc2ccccc2cc1c3nc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 N14 compound treatment 0.256 0.00906 0.45 0.26 0.00997 0.51 0.6786 0.9976 1970610 ChemDiv1_000652 CCC(=O)Oc1cccc(c1)N2C(=O)C3C(C4C=CC3C5C4C(=O)N(C5=O)c6cccc(OC(=O)CC)c6)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 N15 compound treatment 0.252 0.00506 0.25 0.251 9.69E-4 0.05 0.2116 0.832 1970611 ChemDiv1_000653 Brc1ccc(cc1)C(=O)OCCCNC2=NS(=O)(=O)c3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 N16 compound treatment 0.284 0.0371 1.83 0.289 0.039 2.01 2.7094 0.9989 1310953 ChemDiv1_000654 Cc1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 N17 compound treatment 0.259 0.0121 0.59 0.265 0.015 0.77 0.9651 0.9918 1970612 ChemDiv1_000655 Clc1ccc(COc2ccc(/C=C\3/SC(=N)NC3=O)cc2)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 N18 compound treatment 0.25 0.00306 0.15 0.251 9.69E-4 0.05 0.142 0.8933 1970613 ChemDiv1_000656 O=C(Nc1cccc2C(=O)c3ccccc3C(=O)c12)c4cccc5-c6ccccc6C(=O)c54 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 N19 compound treatment 0.256 0.00906 0.45 0.256 0.00597 0.31 0.533 0.9834 1970614 ChemDiv1_000657 OC(=O)Cn1c(SCCOc2ccc3ccccc3c2)nc4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 N20 compound treatment 0.301 0.0541 2.66 0.301 0.051 2.62 3.7383 1.0 1970615 ChemDiv1_000658 COc1ccc(/C=C\2/SC(=S)N(CC(=O)O)C2=O)cc1OCc3ccc(Cl)cc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 N21 compound treatment 0.255 0.00806 0.4 0.256 0.00597 0.31 0.4981 0.992 1174899 ChemDiv1_000659 O=C(Nc1ccc2ncsc2c1)c3ccc(cc3)S(=O)(=O)N4CCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 N22 compound treatment 0.259 0.0121 0.59 0.262 0.012 0.62 0.8559 0.9998 1970616 ChemDiv1_000660 CCOc1ccc(/C=C\2/SC(=O)N(CNc3ccccc3Br)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 N23 mock treatment 0.249 0.00206 0.1 0.253 0.00297 0.15 0.18 0.9804 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 N24 mock treatment 0.246 -9.35E-4 -0.05 0.257 0.00697 0.36 0.2211 0.6113 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 O01 compound treatment 0.252 0.00506 0.25 0.257 0.00697 0.36 0.4301 0.9842 1970617 ChemDiv1_000661 CCOC(=O)c1c(oc2c1cc(OC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)c4ccccc24)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 O02 compound treatment 0.253 0.00606 0.3 0.261 0.011 0.56 0.6105 0.9557 1970618 ChemDiv1_000662 O=C(Cc1ccccc1)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCCCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 O03 compound treatment 0.264 0.0171 0.84 0.253 0.00297 0.15 0.7024 0.8222 1311237 ChemDiv1_000663 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)Cc4ccccc4)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 O04 compound treatment 0.265 0.0181 0.89 0.256 0.00597 0.31 0.8464 0.8992 1970619 ChemDiv1_000664 Clc1ccccc1C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 O05 compound treatment 0.255 0.00806 0.4 0.256 0.00597 0.31 0.4981 0.992 1970620 ChemDiv1_000665 Fc1ccc(/C=C\2/SC(=O)N(CNc3ccc(Br)cc3)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 O06 compound treatment 0.254 0.00706 0.35 0.254 0.00397 0.2 0.3905 0.9678 1970621 ChemDiv1_000666 [O-][N+](=O)c1cccc(c1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 O07 compound treatment 0.248 0.00106 0.05 0.248 -0.00203 -0.1 -0.0369 -0.3152 1381902 ChemDiv1_000667 COC(=O)c1ccc(cc1)C(=O)Nc2ccc3nc(NC(=O)C)sc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 O08 compound treatment 0.27 0.0231 1.14 0.266 0.016 0.82 1.3846 0.9874 1970622 ChemDiv1_000668 O=C(OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N4CCOCC4)C5(CC6CC7CC(C6)C5)C7 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 O09 compound treatment 0.266 0.0191 0.94 0.274 0.024 1.23 1.5365 0.9909 1970623 ChemDiv1_000669 COc1ccc(NCN2C(=O)S/C(=C/c3ccccc3OC)/C2=O)cc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 O10 compound treatment 0.251 0.00406 0.2 0.248 -0.00203 -0.1 0.0676 0.2994 1970624 ChemDiv1_000670 Cc1cc(C)c(Nc2ccc(Nc3ccc(cc3)[N+](=O)[O-])c4C(=O)c5ccccc5C(=O)c24)c(C)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 O11 compound treatment 0.252 0.00506 0.25 0.252 0.00197 0.1 0.248 0.9213 1970625 ChemDiv1_000671 Cc1cccc(c1)C(=O)Nc2nnc(CCOCCOCCc3nnc(NC(=O)c4cccc(C)c4)s3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 O12 compound treatment 0.315 0.0681 3.35 0.31 0.06 3.09 4.5535 0.9992 1970626 ChemDiv1_000672 COC(=O)c1ccc(/C=C\2/S/C(=N/c3ccccc3Cl)/NC2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 O13 compound treatment 0.278 0.0311 1.53 0.274 0.024 1.23 1.9544 0.9943 1058709 ChemDiv1_000673 Cn1c2ccccc2c3nc4ccccc4nc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 O14 compound treatment 0.293 0.0461 2.27 0.29 0.04 2.06 3.0592 0.9988 1527201 ChemDiv1_000674 COc1ccc(cc1)C(=O)Nc2ccc3oc(nc3c2)c4ccccc4Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 O15 compound treatment 0.236 -0.0109 -0.54 0.251 9.69E-4 0.05 -0.3456 -0.6389 1530492 ChemDiv1_000675 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccccc4F)C(=O)CC(C)(C)C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 O16 compound treatment 0.255 0.00806 0.4 0.258 0.00797 0.41 0.5709 0.9999 1970627 ChemDiv1_000676 COc1ccccc1/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 O17 compound treatment 0.252 0.00506 0.25 0.249 -0.00103 -0.05 0.1388 0.5444 1419744 ChemDiv1_000677 CCOC(=O)COc1nc(C)cc(COC)c1C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 O18 compound treatment 0.255 0.00806 0.4 0.251 9.69E-4 0.05 0.3161 0.7897 1970628 ChemDiv1_000678 Brc1ccc(/C=C(\C#N)/c2nc(cs2)c3cc4c(ccc5ccccc54)oc3=O)o1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 O19 compound treatment 0.263 0.0161 0.79 0.262 0.012 0.62 0.9952 0.9924 1970629 ChemDiv1_000679 [O-][N+](=O)c1cccc(c1)S(=O)(=O)Nc2cccc(c2)c3cn4ccccc4n3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 O20 compound treatment 0.25 0.00306 0.15 0.246 -0.00403 -0.21 -0.04 -0.156 1443527 ChemDiv1_000680 O=C(N(C(=O)c1ccccc1)c2nc3CCCCc3s2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 O21 compound treatment 0.251 0.00406 0.2 0.249 -0.00103 -0.05 0.104 0.5022 1422777 ChemDiv1_000681 CC(C)CCn1c(SCC(=O)N)nc2n(C)c(=O)[nH]c(=O)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 O22 compound treatment 0.249 0.00206 0.1 0.246 -0.00403 -0.21 -0.0748 -0.3239 1919690 ChemDiv1_000682 [O-][N+](=O)c1cccc(c1)C(=O)Nc2ccc3oc(nc3c2)c4ccccc4Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 O23 mock treatment 0.25 0.00306 0.15 0.253 0.00297 0.15 0.2148 1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 O24 mock treatment 0.245 -0.00194 -0.1 0.24 -0.01 -0.52 -0.4326 -0.8237 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 P01 compound treatment 0.208 -0.0389 -1.92 0.235 -0.015 -0.77 -1.9032 -0.9203 1970630 ChemDiv1_000683 COc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Br)cc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 P02 compound treatment 0.237 -0.00994 -0.49 0.241 -0.00903 -0.46 -0.6748 -0.9997 1511721 ChemDiv1_000684 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3ccccc3Cl)c(Br)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 P03 compound treatment 0.244 -0.00294 -0.14 0.25 -3.12E-5 0.0 -0.1034 -0.7149 1970631 ChemDiv1_000685 COc1cccc2cc(C(=O)NC(=O)C)c(=Nc3ccc(cc3)C(F)(F)F)oc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 P04 compound treatment 0.247 6.45E-5 0.0 0.246 -0.00403 -0.21 -0.1445 -0.6962 1970632 ChemDiv1_000686 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3ccc(cc3)[N+](=O)[O-])c(Br)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 P05 compound treatment 0.242 -0.00494 -0.24 0.25 -3.12E-5 0.0 -0.173 -0.7118 1970633 ChemDiv1_000687 CC(=O)NC(=O)c1cc2cc(Br)ccc2oc1=Nc3ccccc3F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 P06 compound treatment 0.243 -0.00394 -0.19 0.248 -0.00203 -0.1 -0.211 -0.9581 1569252 ChemDiv1_000688 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3ccc(cc3)C(C)(C)C)c(Br)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 P07 compound treatment 0.248 0.00106 0.05 0.25 -3.12E-5 0.0 0.0359 0.6851 1554993 ChemDiv1_000689 COc1ccc2cc(C(=O)Nc3ccccc3)c(=Nc4cccc(C#N)c4)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 P08 compound treatment 0.289 0.0421 2.07 0.284 0.034 1.75 2.7015 0.9964 1970634 ChemDiv1_000690 CCCCCCCn1c(SC(C)C)nc2n(C)c(=O)[nH]c(=O)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 P09 compound treatment 0.247 6.45E-5 0.0 0.248 -0.00203 -0.1 -0.0717 -0.6853 1970635 ChemDiv1_000691 OC(=O)C1Cc2c([nH]c3ccccc23)C(CCc4ccccc4)N1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 P10 compound treatment 0.273 0.0261 1.28 0.276 0.026 1.34 1.8531 0.9998 1570528 ChemDiv1_000692 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 P11 compound treatment 0.244 -0.00294 -0.14 0.25 -3.12E-5 0.0 -0.1034 -0.7149 1970636 ChemDiv1_000693 CCOC(=O)c1[nH]c2c(cc(OCC)cc2c1CCN3C(=O)c4ccccc4C3=O)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 P12 compound treatment 0.269 0.0221 1.09 0.263 0.013 0.67 1.2405 0.9726 1970637 ChemDiv1_000694 Cc1nc2cc(NC(=O)c3cccc(c3)[N+](=O)[O-])ccc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 P13 compound treatment 0.257 0.0101 0.5 0.262 0.012 0.62 0.7862 0.9942 1970638 ChemDiv1_000695 CCOC(=O)CSc1nc(cc(c1C#N)c2ccc(OC)cc2)C3CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 P14 compound treatment 0.249 0.00206 0.1 0.254 0.00397 0.2 0.2164 0.9481 1920314 ChemDiv1_000696 O=C1C2C(C3C=CC2C4C3C(=O)N(C4=O)c5nccs5)C(=O)N1c6nccs6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 P15 compound treatment 0.251 0.00406 0.2 0.255 0.00497 0.26 0.3224 0.9926 1970639 ChemDiv1_000697 COC(=O)c1ccc(NCN2C(=O)S/C(=C/c3ccccc3Cl)/C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 P16 compound treatment 0.96 0.713 35.12 0.968 0.718 36.96 50.9697 0.9997 1970640 ChemDiv1_000698 OC(=O)CCN1C(=O)/C(=C/c2ccco2)/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 P17 compound treatment 0.262 0.0151 0.74 0.268 0.018 0.93 1.1788 0.994 1970641 ChemDiv1_000699 COc1cc(/C=C\2/SC(=N)NC2=O)ccc1OCc3ccc(cc3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 P18 compound treatment 0.281 0.0341 1.68 0.279 0.029 1.49 2.2409 0.9983 1173157 ChemDiv1_000700 COc1ccc(Nc2nc3nonc3nc2Nc4ccc(OC)cc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 P19 compound treatment 0.246 -9.35E-4 -0.05 0.249 -0.00103 -0.05 -0.0701 -0.9975 1543091 ChemDiv1_000701 OC(=O)CSc1nc2ccccc2n1Cc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 P20 compound treatment 0.273 0.0261 1.28 0.274 0.024 1.23 1.7803 0.9998 1938171 ChemDiv1_000702 OC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2Cl)/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 P21 compound treatment 0.249 0.00206 0.1 0.253 0.00297 0.15 0.18 0.9804 1206041 ChemDiv1_000703 CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 P22 compound treatment 0.25 0.00306 0.15 0.251 9.69E-4 0.05 0.142 0.8933 1970642 ChemDiv1_000704 CCOc1ccc(/C=C\2/SC(=O)N(CNc3ccc(OC)c(Cl)c3)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 P23 mock treatment 0.244 -0.00294 -0.14 0.247 -0.00303 -0.16 -0.2126 -0.9993 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.588 P24 mock treatment 0.214 -0.0329 -1.62 0.235 -0.015 -0.77 -1.6942 -0.9427 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 A01 compound treatment 0.172 -0.0629 -3.1 0.173 -0.0777 -4.0 -5.0184 -0.9921 1527400 ChemDiv1_000705 Nc1nc(F)cc(NCCO)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 A02 compound treatment 0.203 -0.0319 -1.57 0.227 -0.0237 -1.22 -1.9731 -0.992 1970643 ChemDiv1_000706 COc1cc(cc(Br)c1O)C2NC(=O)NC(=C2C(=O)OCCOc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 A03 compound treatment 0.192 -0.0429 -2.11 0.222 -0.0287 -1.48 -2.5382 -0.9845 1257973 ChemDiv1_000707 COc1ccc(cc1)c2nnc(o2)c3cc4ccccc4oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 A04 compound treatment 0.194 -0.0409 -2.02 0.211 -0.0397 -2.04 -2.869 -1.0 1970644 ChemDiv1_000708 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cc(Br)c(O)c(OC)c3)C(=O)CC(C)(C)C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 A05 compound treatment 0.191 -0.0439 -2.16 0.207 -0.0437 -2.25 -3.1191 -0.9998 1970645 ChemDiv1_000709 CCOc1cc(/C=C/2\SC(=O)NC2=O)ccc1OC(=O)c3cccc(c3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 A06 compound treatment 0.223 -0.0119 -0.59 0.23 -0.0207 -1.06 -1.1673 -0.9609 1296281 ChemDiv1_000710 CN1C(=C(C(NC1=O)c2ccc(OCc3ccccc3)cc2)C(=O)OCc4ccccc4)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 A07 compound treatment 0.209 -0.0259 -1.28 0.212 -0.0387 -1.99 -2.3102 -0.977 1305273 ChemDiv1_000711 COc1ccc(cc1Br)C2SCCN2C(=O)c3cc4ccccc4oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 A08 compound treatment 0.193 -0.0419 -2.07 0.21 -0.0407 -2.09 -2.9402 -1.0 1970646 ChemDiv1_000712 CC(=O)N1N=C(CC1c2ccc(F)cc2)c3c(c4ccccc4)c5cc(Br)ccc5[nH]c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 A09 compound treatment 0.22 -0.0149 -0.74 0.22 -0.0307 -1.58 -1.6358 -0.9396 1922370 ChemDiv1_000713 CSCCC(N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)/SC1=S)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 A10 compound treatment 0.251 0.0161 0.79 0.223 -0.0277 -1.42 -0.447 -0.2744 1725553 ChemDiv1_000714 CCc1ccc(cc1)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 A11 compound treatment 0.216 -0.0189 -0.93 0.229 -0.0217 -1.11 -1.4475 -0.996 1779922 ChemDiv1_000715 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2C1c4cccc(c4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 A12 compound treatment 0.259 0.0241 1.19 0.263 0.0123 0.64 1.2877 0.9573 1970647 ChemDiv1_000716 COc1ccc(OCCSc2nc3ccc(Br)cc3[nH]2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 A13 compound treatment 0.216 -0.0189 -0.93 0.226 -0.0247 -1.27 -1.5567 -0.9885 1970648 ChemDiv1_000717 Brc1ccc(cc1)c2ccc(C=c3sc4nc5ccccc5n4c3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 A14 compound treatment 0.218 -0.0169 -0.83 0.236 -0.0147 -0.75 -1.1231 -0.9988 1970649 ChemDiv1_000718 CSCCC(N1C(=O)/C(=C\2/C(=O)Nc3ccc(Br)cc23)/SC1=S)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 A15 compound treatment 0.212 -0.0229 -1.13 0.216 -0.0347 -1.78 -2.0601 -0.9757 1675577 ChemDiv1_000719 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(=O)C)c(=O)n2C1c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 A16 compound treatment 0.314 0.0791 3.89 0.338 0.0873 4.5 5.9334 0.9974 1970650 ChemDiv1_000720 CN(C)c1ccc(/C=C\2/SC(=S)N(CC(=O)O)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 A17 compound treatment 0.205 -0.0299 -1.47 0.217 -0.0337 -1.73 -2.2675 -0.9968 1970651 ChemDiv1_000721 CCCCCOC(=O)C1=C(C)NC(=O)NC1c2ccc(OC)c(Br)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 A18 compound treatment 0.197 -0.0379 -1.87 0.217 -0.0337 -1.73 -2.5461 -0.9993 1947850 ChemDiv1_000722 Cc1c(NC(=O)CCN2C(=O)S/C(=C\c3ccc(Cl)cc3)/C2=O)c(=O)n(c4ccccc4)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 A19 compound treatment 0.19 -0.0449 -2.21 0.214 -0.0367 -1.89 -2.8991 -0.9969 1217441 ChemDiv1_000723 CC1=C(C(NC(=O)N1)c2cc3OCOc3cc2Br)C(=O)OC4CCCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 A20 compound treatment 0.197 -0.0379 -1.87 0.198 -0.0527 -2.71 -3.2377 -0.9835 1970652 ChemDiv1_000724 CN(C)c1ccc(/C=C\2/SC(=S)N(CCCCC(N3C(=O)/C(=C\c4ccc(cc4)N(C)C)/SC3=S)C(=O)O)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 A21 compound treatment 0.189 -0.0459 -2.26 0.195 -0.0557 -2.87 -3.6255 -0.9932 1970653 ChemDiv1_000725 CCCOc1ccccc1C2NC(=O)NC(=C2C(=O)OCCCBr)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 A22 compound treatment 0.232 -0.00293 -0.14 0.245 -0.00566 -0.29 -0.3079 -0.9475 1970654 ChemDiv1_000726 COc1cccc(/C=C\2/SC(=S)N(C(C)C(=O)O)C2=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 A23 mock treatment 0.183 -0.0519 -2.56 0.203 -0.0477 -2.45 -3.5433 -0.9998 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 A24 mock treatment 0.18 -0.0549 -2.71 0.177 -0.0737 -3.79 -4.5942 -0.9863 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 B01 compound treatment 0.317 0.0821 4.04 0.278 0.0273 1.41 3.8537 0.9003 1970655 ChemDiv1_000727 CCOc1cc(/C=C/2\SC(=S)N(C2=O)c3c(C)n(C)n(c4ccccc4)c3=O)ccc1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 B02 compound treatment 0.252 0.0171 0.84 0.256 0.00534 0.28 0.7891 0.892 1970656 ChemDiv1_000728 FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)N3CCCCC3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 B03 compound treatment 0.25 0.0151 0.74 0.26 0.00934 0.48 0.8651 0.978 1311275 ChemDiv1_000729 COc1cc(NC(=O)CCN2C(=O)c3ccccc3C2=O)c(OC)cc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 B04 compound treatment 0.245 0.0101 0.5 0.256 0.00534 0.28 0.5453 0.9613 1778071 ChemDiv1_000730 [O-][N+](=O)c1cc(NC(=O)c2sc3ccccc3c2Cl)cc(Oc4ccc(F)cc4)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 B05 compound treatment 0.255 0.0201 0.99 0.265 0.0143 0.74 1.2212 0.9897 1970657 ChemDiv1_000731 COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c3cc(cc(c3)[N+](=O)[O-])[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 B06 compound treatment 0.306 0.0711 3.5 0.305 0.0543 2.8 4.4535 0.9938 1343325 ChemDiv1_000732 CCOC(=O)c1c(CSc2ccccc2)n(C)c3cc(Br)c(O)c(CN(C)C)c13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 B07 compound treatment 0.258 0.0231 1.14 0.261 0.0103 0.53 1.1801 0.9404 1709286 ChemDiv1_000733 Nc1nnc(s1)c2cc3cc(Cl)cc(Cl)c3oc2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 B08 compound treatment 0.26 0.0251 1.23 0.265 0.0143 0.74 1.3953 0.9698 1923415 ChemDiv1_000734 Brc1ccc(OCc2ccccc2)c(/C=C/3\SC(=N)NC3=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 B09 compound treatment 0.26 0.0251 1.23 0.266 0.0153 0.79 1.4318 0.9767 1163744 ChemDiv1_000735 CCn1c(=O)c(C(=O)Nc2ccc(I)cc2)c(O)c3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 B10 compound treatment 0.261 0.0261 1.28 0.259 0.00834 0.43 1.2118 0.8949 1169638 ChemDiv1_000736 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccccc4OCc5ccc(Cl)cc5Cl)C(=O)CC(C)(C)C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 B11 compound treatment 0.268 0.0331 1.63 0.265 0.0143 0.74 1.674 0.936 1970658 ChemDiv1_000737 CN1C(=C(C(NC1=O)c2ccc(Cl)c(Cl)c2)C(=O)OCCOc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 B12 compound treatment 0.262 0.0271 1.33 0.264 0.0133 0.69 1.4286 0.9524 1970659 ChemDiv1_000738 Brc1ccc2oc(=N)c(cc2c1)c3nc(cs3)c4cc5ccccc5oc4=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 B13 compound treatment 0.257 0.0221 1.09 0.261 0.0103 0.53 1.1453 0.9461 1436119 ChemDiv1_000739 CN(C)c1nc(nc(n1)N2CCOCC2)N(c3ccccc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 B14 compound treatment 0.244 0.00907 0.45 0.255 0.00434 0.22 0.4741 0.9488 1778492 ChemDiv1_000740 CCOC(=O)c1cc2C3C=CCC3CN4C(C5CC=CC5c(c1)c42)c6cccc(c6)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 B15 compound treatment 0.253 0.0181 0.89 0.259 0.00834 0.43 0.9331 0.9442 1921986 ChemDiv1_000741 Clc1nc(Nc2cccc3ccccc23)nc(n1)N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 B16 compound treatment 0.298 0.0631 3.11 0.303 0.0523 2.69 4.1021 0.9975 1476886 ChemDiv1_000742 COC(=O)C1=C(N)OC2=C(C1c3ccc(Cl)cc3Cl)C(=O)CC(C)(C)C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 B17 compound treatment 0.262 0.0271 1.33 0.266 0.0153 0.79 1.5014 0.9688 1590137 ChemDiv1_000743 COc1ccc(cc1OC)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 B18 compound treatment 0.252 0.0171 0.84 0.259 0.00834 0.43 0.8983 0.9514 1970660 ChemDiv1_000744 CCOC(=O)C1=C(C)OC(=C(C#N)C1c2cccs2)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 B19 compound treatment 0.254 0.0191 0.94 0.26 0.00934 0.48 1.0044 0.9517 1777481 ChemDiv1_000745 [O-][N+](=O)c1ncn(CC(=O)Nc2ccc(Cl)cc2Cl)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 B20 compound treatment 0.25 0.0151 0.74 0.256 0.00534 0.28 0.7195 0.9088 1583954 ChemDiv1_000746 Cn1c(=O)[nH]c(=O)c2n(CC(O)COc3ccc(Cl)cc3)c(SCc4cccc(Br)c4)nc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 B21 compound treatment 0.241 0.00607 0.3 0.262 0.0113 0.58 0.6244 0.9517 1970661 ChemDiv1_000747 COCCNC(=O)c1nn2c(cc(nc2c1Br)c3ccccc3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 B22 compound treatment 0.239 0.00407 0.2 0.249 -0.00166 -0.09 0.0815 0.3743 1970662 ChemDiv1_000748 CCOC(=O)C1=C(N)OC2=C(C1c3cccc(Cl)c3)C(=O)CC(C)(C)C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 B23 mock treatment 0.251 0.0161 0.79 0.256 0.00534 0.28 0.7543 0.9001 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 B24 mock treatment 0.201 -0.0339 -1.67 0.232 -0.0187 -0.96 -1.8607 -0.9654 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 C01 compound treatment 0.214 -0.0209 -1.03 0.224 -0.0267 -1.37 -1.6992 -0.9901 1164460 ChemDiv1_000749 Cc1cc(nc(N)n1)N2CCCCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 C02 compound treatment 0.224 -0.0109 -0.54 0.24 -0.0107 -0.55 -0.7685 -1.0 1271835 ChemDiv1_000750 CC1=C(C(NC(=O)N1)c2ccc(Br)cc2)C(=O)OCCc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 C03 compound treatment 0.241 0.00607 0.3 0.245 -0.00566 -0.29 0.0056 0.0134 1782261 ChemDiv1_000751 CCN(CC)c1ccc2cc(c3nnc(o3)c4ccc(cc4)[N+](=O)[O-])c(=O)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 C04 compound treatment 0.262 0.0271 1.33 0.261 0.0103 0.53 1.3194 0.9189 1536907 ChemDiv1_000752 CC1=C(C(NC(=O)N1)c2ccc(OCc3ccccc3)cc2)C(=O)OC4CCCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 C05 compound treatment 0.244 0.00907 0.45 0.256 0.00534 0.28 0.5105 0.9729 1938148 ChemDiv1_000753 Brc1cc2OCOc2cc1/C=C/3\SC(=O)N(C3=O)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 C06 compound treatment 0.248 0.0131 0.64 0.252 0.00134 0.07 0.5042 0.7787 1970663 ChemDiv1_000754 CCCCCOC(=O)C1=C(C)N(C)C(=O)NC1c2ccc(OCc3ccccc3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 C07 compound treatment 0.248 0.0131 0.64 0.25 -6.55E-4 -0.03 0.4314 0.6691 1548032 ChemDiv1_000755 Brc1ccc2oc(=O)c(cc2c1)C(=O)N3CCSC3c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 C08 compound treatment 0.281 0.0461 2.27 0.282 0.0313 1.61 2.7456 0.986 1970664 ChemDiv1_000756 CCC(=O)N1N=C(CC1c2ccc(OC)cc2)c3c(c4ccccc4)c5cc(Br)ccc5[nH]c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 C09 compound treatment 0.302 0.0671 3.3 0.289 0.0383 1.97 3.7317 0.9697 1970665 ChemDiv1_000757 O=C(CCN1C(=O)/C(=C/c2ccccc2)/SC1=S)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 C10 compound treatment 0.25 0.0151 0.74 0.249 -0.00166 -0.09 0.4646 0.6219 1970666 ChemDiv1_000758 Cc1ccccc1C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 C11 compound treatment 0.29 0.0551 2.71 0.291 0.0403 2.08 3.3866 0.9913 1970667 ChemDiv1_000759 FC(F)(F)c1cccc(c1)c2ccc(/C=C\3/SC(=S)N(C4CCS(=O)(=O)C4)C3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 C12 compound treatment 0.274 0.0391 1.92 0.267 0.0163 0.84 1.9557 0.9312 1250948 ChemDiv1_000760 Brc1ccc2nc(SCc3nc4ccccc4[nH]3)[nH]c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 C13 compound treatment 0.245 0.0101 0.5 0.249 -0.00166 -0.09 0.2905 0.5772 1592369 ChemDiv1_000761 CCOC(=O)c1c(NC(=O)c2sc3cccc(Cl)c3c2Cl)sc4CCCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 C14 compound treatment 0.218 -0.0169 -0.83 0.249 -0.00166 -0.09 -0.6498 -0.7753 1970668 ChemDiv1_000762 COc1ccc(/C=C/2\SC(=S)N(CCC(=O)N3c4ccccc4Sc5ccccc35)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 C15 compound treatment 0.294 0.0591 2.91 0.305 0.0543 2.8 4.0356 0.9998 1970669 ChemDiv1_000763 Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3cc(Cl)c4nonc4c3[N+](=O)[O-])cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 C16 compound treatment 0.235 7.14E-5 0.0 0.253 0.00234 0.12 0.0878 0.7274 1628287 ChemDiv1_000764 Cc1ccc2sc(nc2c1)c3ccc(NC(=O)CCN4C(=O)c5ccccc5C4=O)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 C17 compound treatment 0.289 0.0541 2.66 0.295 0.0443 2.28 3.4974 0.9971 1970670 ChemDiv1_000765 COc1ccc(cc1Br)C2NC(=O)NC(=C2C(=O)OCc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 C18 compound treatment 0.248 0.0131 0.64 0.258 0.00734 0.38 0.7226 0.9678 1951779 ChemDiv1_000766 COc1ccc(/C=C/2\SC(=O)N(CCC(=O)N3CCOCC3)C2=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 C19 compound treatment 0.238 0.00307 0.15 0.244 -0.00666 -0.34 -0.1353 -0.3612 1380491 ChemDiv1_000767 CCOc1ccccc1c2c(C#N)c(N)nc(OC)c2C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 C20 compound treatment 0.872 0.637 31.38 0.85 0.599 30.85 44.0049 1.0 1913445 ChemDiv1_000768 COc1ccc(/C=C/2\SC(=S)N(C(CC(=O)O)C(=O)O)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 C21 compound treatment 0.235 7.14E-5 0.0 0.244 -0.00666 -0.34 -0.2398 -0.6998 1970671 ChemDiv1_000769 COc1ccc(OC)c(c1)C2NC(=O)NC(=C2C(=O)OC(C(F)(F)F)C(F)(F)F)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 C22 compound treatment 0.261 0.0261 1.28 0.276 0.0253 1.3 1.8306 1.0 1936086 ChemDiv1_000770 COc1ccccc1/C=C/2\SC(=S)N(C(Cc3ccccc3)C(=O)O)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 C23 mock treatment 0.234 -9.29E-4 -0.05 0.242 -0.00866 -0.45 -0.3474 -0.7756 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 C24 mock treatment 0.204 -0.0309 -1.52 0.224 -0.0267 -1.37 -2.0475 -0.9986 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 D01 compound treatment 0.214 -0.0209 -1.03 0.239 -0.0117 -0.6 -1.1532 -0.9668 1970672 ChemDiv1_000771 Fc1ccc(/C=C/2\SC(=O)N(CC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 D02 compound treatment 0.248 0.0131 0.64 0.258 0.00734 0.38 0.7226 0.9678 1970673 ChemDiv1_000772 FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)NCc3cccnc3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 D03 compound treatment 0.24 0.00507 0.25 0.246 -0.00466 -0.24 0.0072 0.0207 1970674 ChemDiv1_000773 CCOC(=O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 D04 compound treatment 0.304 0.0691 3.4 0.282 0.0313 1.61 3.5466 0.9419 1778073 ChemDiv1_000774 Fc1ccc(Oc2cc(NC(=O)c3sc4ccccc4c3Cl)cc(Oc5ccc(F)cc5)c2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 D05 compound treatment 0.279 0.0441 2.17 0.281 0.0303 1.56 2.6395 0.987 1970675 ChemDiv1_000775 O=C1/C(=C/c2c[nH]c3ccccc23)/Sc4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 D06 compound treatment 0.242 0.00707 0.35 0.256 0.00534 0.28 0.4408 0.9932 1970676 ChemDiv1_000776 CCCCCCCCc1ccc(cc1)c2ccc(cc2)C(=O)Nc3nc4ccccc4n3C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 D07 compound treatment 0.25 0.0151 0.74 0.26 0.00934 0.48 0.8651 0.978 1283019 ChemDiv1_000777 COc1ccc2oc(=Nc3sc4CCCCc4c3C(=O)N)c(cc2c1)C(=O)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 D08 compound treatment 0.252 0.0171 0.84 0.262 0.0113 0.58 1.0075 0.9841 1779827 ChemDiv1_000778 COc1ccc(cc1c2ccc(C=c3sc4nc5ccccc5n4c3=O)o2)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 D09 compound treatment 0.249 0.0141 0.69 0.258 0.00734 0.38 0.7574 0.9594 1706745 ChemDiv1_000779 Oc1c(C(=O)Nc2ccc(I)cc2)c(=O)n(CC=C)c3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 D10 compound treatment 0.247 0.0121 0.59 0.255 0.00434 0.22 0.5786 0.9108 1549552 ChemDiv1_000780 COc1cc(C=c2sc3nc4cc(C)c(C)cc4n3c2=O)cc(Br)c1OCc5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 D11 compound treatment 0.276 0.0411 2.02 0.29 0.0393 2.03 2.8626 1.0 1537680 ChemDiv1_000781 COc1cc(cc(Br)c1O)C2NC(=O)N(C)C(=C2C(=O)OCCc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 D12 compound treatment 0.249 0.0141 0.69 0.257 0.00634 0.33 0.721 0.9411 1970677 ChemDiv1_000782 [O-][N+](=O)c1ccc(cc1)c2nnc(o2)c3cc4cc(Cl)cc(Cl)c4oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 D13 compound treatment 0.251 0.0161 0.79 0.256 0.00534 0.28 0.7543 0.9001 1251544 ChemDiv1_000783 Fc1nc(F)c(F)c(N2C(=O)c3ccccc3S2(=O)=O)c1F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 D14 compound treatment 0.255 0.0201 0.99 0.256 0.00534 0.28 0.8936 0.8708 1970678 ChemDiv1_000784 COc1ccccc1N2CCN(CC2)S(=O)(=O)c3ccc4C(=O)c5ccccc5C(=O)c4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 D15 compound treatment 0.252 0.0171 0.84 0.258 0.00734 0.38 0.8619 0.9349 1970679 ChemDiv1_000785 [O-][N+](=O)c1ccccc1Nc2nc(OCC(F)(F)F)nc(OCC(F)(F)F)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 D16 compound treatment 0.269 0.0341 1.68 0.266 0.0153 0.79 1.7452 0.9409 1970680 ChemDiv1_000786 CCOC(=O)C1=C(C)OC(=C(C#N)C1c2ccccc2OC)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 D17 compound treatment 0.29 0.0551 2.71 0.29 0.0393 2.03 3.3502 0.9897 1776189 ChemDiv1_000787 Cc1c(Cl)c(nn1CC(=O)Nc2cc(Oc3ccccc3)cc(Oc4cccnc4)c2)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 D18 compound treatment 0.257 0.0221 1.09 0.274 0.0233 1.2 1.6185 0.9987 1970681 ChemDiv1_000788 CCOC(=O)CSc1nc(cc(c1C#N)c2ccc(Cl)cc2)C3CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 D19 compound treatment 0.247 0.0121 0.59 0.253 0.00234 0.12 0.5058 0.8337 1777484 ChemDiv1_000789 COc1cc(NC(=O)Cn2cnc(n2)[N+](=O)[O-])cc(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 D20 compound treatment 0.244 0.00907 0.45 0.252 0.00134 0.07 0.3649 0.807 1544715 ChemDiv1_000790 Cn1c(=O)[nH]c(=O)c2n(CC(O)COc3ccccc3)c(SCc4cccc(Br)c4)nc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 D21 compound treatment 0.243 0.00807 0.4 0.257 0.00634 0.33 0.5121 0.9952 1970682 ChemDiv1_000791 Cc1c(Br)c(nn1CC(=O)Nc2cc(ccc2Cl)C(F)(F)F)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 D22 compound treatment 0.242 0.00707 0.35 0.254 0.00334 0.17 0.368 0.9473 1232973 ChemDiv1_000792 CCOC(=O)C1=C(N)Oc2c(C1c3cccc(Cl)c3)c(=O)oc4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 D23 mock treatment 0.246 0.0111 0.55 0.256 0.00534 0.28 0.5801 0.9498 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 D24 mock treatment 0.219 -0.0159 -0.78 0.247 -0.00366 -0.19 -0.6878 -0.8525 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 E01 compound treatment 0.229 -0.00593 -0.29 0.248 -0.00266 -0.14 -0.3031 -0.9402 1702207 ChemDiv1_000793 CN(C)c1ccc(cc1)c2nc3cc(NC(=O)c4ccc(Br)cc4)ccc3o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 E02 compound treatment 0.289 0.0541 2.66 0.289 0.0383 1.97 3.279 0.9891 1689717 ChemDiv1_000794 COC(=O)C1=C(C)NC2=C(C1c3cc(Br)c(O)c(OC)c3)C(=O)CC(C2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 E03 compound treatment 0.249 0.0141 0.69 0.259 0.00834 0.43 0.7938 0.9736 1970683 ChemDiv1_000795 Clc1cc(Cl)c2oc(=O)c(cc2c1)c3nnc(o3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 E04 compound treatment 0.27 0.0351 1.73 0.277 0.0263 1.36 2.1804 0.9928 1313645 ChemDiv1_000796 COc1cc(cc(Br)c1O)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)OCc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 E05 compound treatment 0.325 0.0901 4.44 0.341 0.0903 4.65 6.4257 0.9997 1970684 ChemDiv1_000797 COc1ccc(/C=C\2/S/C(=N\c3ccccc3)/NC2=O)cc1Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 E06 compound treatment 0.263 0.0281 1.38 0.264 0.0133 0.69 1.4634 0.9479 1970685 ChemDiv1_000798 CCCCCOC(=O)C1=C(C)N(C)C(=O)NC1c2cc(Br)c(O)c(OC)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 E07 compound treatment 0.285 0.0501 2.47 0.284 0.0333 1.72 2.9577 0.9843 1697217 ChemDiv1_000799 COc1ccc(cc1)C2SCCN2C(=O)c3cc4cc(Br)ccc4oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 E08 compound treatment 0.296 0.0611 3.01 0.29 0.0393 2.03 3.5592 0.9815 1970686 ChemDiv1_000800 COc1ccc(cc1)C(=O)N2N=C(CC2c3ccco3)c4c(c5ccccc5)c6cc(Br)ccc6[nH]c4=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 E09 compound treatment 0.292 0.0571 2.81 0.288 0.0373 1.92 3.3471 0.9828 1970687 ChemDiv1_000801 NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3)/C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 E10 compound treatment 0.256 0.0211 1.04 0.259 0.00834 0.43 1.0376 0.9238 1613055 ChemDiv1_000802 Cc1ccccc1C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 E11 compound treatment 0.292 0.0571 2.81 0.29 0.0393 2.03 3.4199 0.9871 1970688 ChemDiv1_000803 Clc1ccc(cc1)c2nn(cc2/C=C/3\SC(=S)N(C4CCS(=O)(=O)C4)C3=O)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 E12 compound treatment 0.272 0.0371 1.83 0.263 0.0123 0.64 1.7405 0.9003 1258438 ChemDiv1_000804 NC(=O)CSc1nc2ccccc2n1CCOc3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 E13 compound treatment 0.256 0.0211 1.04 0.262 0.0113 0.58 1.1468 0.963 1281118 ChemDiv1_000805 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Cl)cc3)c(=O)n2C1c4ccc(OC(=O)C)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 E14 compound treatment 0.405 0.17 8.38 0.404 0.153 7.89 11.5052 0.9996 1916887 ChemDiv1_000806 CC(C)C(N1C(=O)/C(=C\2/C(=O)Nc3ccc(Br)cc23)/SC1=S)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 E15 compound treatment 0.253 0.0181 0.89 0.258 0.00734 0.38 0.8967 0.9273 1970689 ChemDiv1_000807 CCCCOc1cccc(N/C=C(/C#N)\c2nc(cs2)c3cc4cc(Br)ccc4oc3=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 E16 compound treatment 0.272 0.0371 1.83 0.269 0.0183 0.94 1.9589 0.9529 1970690 ChemDiv1_000808 COc1ccc(/C=C\2/SC(=O)N(CCC(=O)Nc3ccccc3)C2=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 E17 compound treatment 0.259 0.0241 1.19 0.267 0.0163 0.84 1.4333 0.9859 1970691 ChemDiv1_000809 CC1=C(C(NC(=O)N1)c2cc3OCOc3cc2Br)C(=O)OCCCCCl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 E18 compound treatment 0.269 0.0341 1.68 0.275 0.0243 1.25 2.0728 0.9897 1947473 ChemDiv1_000810 COc1ccc(/C=C/2\SC(=O)N(CCC(=O)N3CCCCC3)C2=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 E19 compound treatment 0.259 0.0241 1.19 0.267 0.0163 0.84 1.4333 0.9859 1604364 ChemDiv1_000811 CCN(CC)c1ccc(cc1)c2c(C#N)c(N)nc(OC)c2C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 E20 compound treatment 0.363 0.128 6.31 0.366 0.115 5.94 8.6592 0.9995 1970692 ChemDiv1_000812 OC(=O)CC(N1C(=O)/C(=C/c2ccc(Cl)cc2)/SC1=S)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 E21 compound treatment 0.251 0.0161 0.79 0.256 0.00534 0.28 0.7543 0.9001 1476587 ChemDiv1_000813 CC1CCCC1OC(=O)C2=C(C)NC(=O)NC2c3ccccc3OCc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 E22 compound treatment 0.257 0.0221 1.09 0.262 0.0113 0.58 1.1817 0.9576 1970693 ChemDiv1_000814 CCOc1cc(/C=C/2\SC(=S)N(C(Cc3ccccc3)C(=O)O)C2=O)ccc1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 E23 mock treatment 0.252 0.0171 0.84 0.256 0.00534 0.28 0.7891 0.892 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 E24 mock treatment 0.235 7.14E-5 0.0 0.245 -0.00566 -0.29 -0.2034 -0.6985 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 F01 compound treatment 0.26 0.0251 1.23 0.274 0.0233 1.2 1.723 0.9999 1970694 ChemDiv1_000815 O=C1N/C(=N\c2ccccc2)/SC1Cc3cccc4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 F02 compound treatment 0.257 0.0221 1.09 0.262 0.0113 0.58 1.1817 0.9576 1970695 ChemDiv1_000816 FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)N3CCCC3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 F03 compound treatment 0.253 0.0181 0.89 0.254 0.00334 0.17 0.7511 0.8285 1970696 ChemDiv1_000817 CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c3ccc(cc3Cl)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 F04 compound treatment 0.274 0.0391 1.92 0.276 0.0253 1.3 2.2834 0.9821 1404493 ChemDiv1_000818 COc1ccc2[nH]c(SCC(=O)c3ccc(Cl)c(Cl)c3)nc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 F05 compound treatment 0.259 0.0241 1.19 0.264 0.0133 0.69 1.3241 0.9663 1970697 ChemDiv1_000819 Brc1ccc(cc1)c2ccc(/C=C/3\Sc4ccccc4C3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 F06 compound treatment 0.267 0.0321 1.58 0.258 0.00734 0.38 1.3843 0.8523 1255110 ChemDiv1_000820 COc1ccc(CCN2C(SCC2=O)c3ccc(Cl)c(Cl)c3)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 F07 compound treatment 0.262 0.0271 1.33 0.264 0.0133 0.69 1.4286 0.9524 1421513 ChemDiv1_000821 COc1cccc2cc(C(=O)N)c(=Nc3sc4CCCCc4c3C(=O)N)oc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 F08 compound treatment 0.262 0.0271 1.33 0.264 0.0133 0.69 1.4286 0.9524 1970698 ChemDiv1_000822 [O-][N+](=O)c1cc(ccc1Cl)c2ccc(C=c3sc4nc5ccccc5n4c3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 F09 compound treatment 0.304 0.0691 3.4 0.307 0.0563 2.9 4.4566 0.9969 1411442 ChemDiv1_000823 CN1C(=C(C(NC1=O)c2cc3OCOc3cc2Br)C(=O)OCCc4ccccc4)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 F10 compound treatment 0.268 0.0331 1.63 0.268 0.0173 0.89 1.7832 0.96 1577996 ChemDiv1_000824 COc1cccc(c1)C(=O)Nc2ccc3oc(nc3c2)c4cccc(Br)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 F11 compound treatment 0.264 0.0291 1.43 0.269 0.0183 0.94 1.6803 0.9796 1970699 ChemDiv1_000825 COc1cc(cc(Cl)c1O)C2NC(=O)N(C)C(=C2C(=O)OCCOc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 F12 compound treatment 0.266 0.0311 1.53 0.271 0.0203 1.05 1.8227 0.9829 1173672 ChemDiv1_000826 COc1nc(Nc2ccc(Cl)cc2)nc(n1)N3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 F13 compound treatment 0.257 0.0221 1.09 0.258 0.00734 0.38 1.0361 0.9002 1921820 ChemDiv1_000827 CCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(n1)N2CCNCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 F14 compound treatment 0.275 0.0401 1.97 0.272 0.0213 1.1 2.1726 0.9618 1970700 ChemDiv1_000828 CC(=O)N1N=C(CC1c2ccc(Br)cc2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 F15 compound treatment 0.266 0.0311 1.53 0.264 0.0133 0.69 1.5679 0.9347 1925261 ChemDiv1_000829 [O-][N+](=O)c1ccc(Nc2nc(OCC(F)(F)C(F)F)nc(OCC(F)(F)C(F)F)n2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 F16 compound treatment 0.275 0.0401 1.97 0.274 0.0233 1.2 2.2454 0.9717 1508293 ChemDiv1_000830 CCOC(=O)C1=C(N)OC2=C(C1c3ccccc3F)C(=O)CCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 F17 compound treatment 0.304 0.0691 3.4 0.305 0.0543 2.8 4.3838 0.9953 1970701 ChemDiv1_000831 Cc1c(Cl)c(nn1CC(=O)Nc2cc(Oc3cccnc3)cc(c2)[N+](=O)[O-])[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 F18 compound treatment 0.264 0.0291 1.43 0.279 0.0283 1.46 2.0443 1.0 1457816 ChemDiv1_000832 CCOC(=O)C1=C(C)OC(=C(C#N)C1c2c(Cl)cccc2Cl)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 F19 compound treatment 0.256 0.0211 1.04 0.264 0.0133 0.69 1.2196 0.9799 1970702 ChemDiv1_000833 [O-][N+](=O)c1ncn(CC(=O)Nc2cc(Oc3cccc(c3)C(F)(F)F)cc(c2)[N+](=O)[O-])n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 F20 compound treatment 0.25 0.0151 0.74 0.255 0.00434 0.22 0.6831 0.881 1569159 ChemDiv1_000834 Cn1c(=O)[nH]c(=O)c2n(CC(O)COc3cccc4ccccc34)c(NCc5ccccc5)nc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 F21 compound treatment 0.272 0.0371 1.83 0.269 0.0183 0.94 1.9589 0.9529 1970703 ChemDiv1_000835 COc1cc(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)c(OC)cc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 F22 compound treatment 0.26 0.0251 1.23 0.271 0.0203 1.05 1.6138 0.9966 1450176 ChemDiv1_000836 CCOC(=O)C1=C(N)OC2=C(C1c3c(Cl)cccc3Cl)C(=O)CC(C)(C)C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 F23 mock treatment 0.249 0.0141 0.69 0.257 0.00634 0.33 0.721 0.9411 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 F24 mock treatment 0.226 -0.00893 -0.44 0.25 -6.55E-4 -0.03 -0.3348 -0.7591 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 G01 compound treatment 0.225 -0.00993 -0.49 0.247 -0.00366 -0.19 -0.4788 -0.9139 1970704 ChemDiv1_000837 [O-][N+](=O)c1ccc(cc1)C(=O)Nc2ccc3oc(nc3c2)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 G02 compound treatment 0.246 0.0111 0.55 0.269 0.0183 0.94 1.0534 0.9659 1719147 ChemDiv1_000838 CC1=C(C(NC(=O)N1)c2ccc(Br)cc2)C(=O)OC3CCCCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 G03 compound treatment 0.248 0.0131 0.64 0.253 0.00234 0.12 0.5406 0.8253 1970705 ChemDiv1_000839 Brc1ccccc1c2nnc(o2)c3cc4c(ccc5ccccc54)oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 G04 compound treatment 0.26 0.0251 1.23 0.27 0.0193 1.0 1.5774 0.9943 1970706 ChemDiv1_000840 COCCOC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3Br)C(=O)CC(C)(C)C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 G05 compound treatment 0.302 0.0671 3.3 0.31 0.0593 3.06 4.4962 0.9992 1970707 ChemDiv1_000841 COc1cc(/C=C\2/SC(=O)N(C2=O)c3ccccc3)cc(Br)c1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 G06 compound treatment 0.294 0.0591 2.91 0.294 0.0433 2.23 3.6351 0.9914 1242266 ChemDiv1_000842 CN1C(=C(C(NC1=O)c2ccccc2OCc3ccccc3)C(=O)OC4CCCC4)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 G07 compound treatment 0.299 0.0641 3.16 0.297 0.0463 2.39 3.9185 0.9905 1405775 ChemDiv1_000843 Clc1ccc(cc1)C2SCCN2C(=O)c3cc4cc(Br)ccc4oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 G08 compound treatment 0.274 0.0391 1.92 0.276 0.0253 1.3 2.2834 0.9821 1130253 ChemDiv1_000844 OC(CN1C(=O)c2ccccc2S1(=O)=O)Cn3c4ccc(Br)cc4c5cc(Br)ccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 G09 compound treatment 0.285 0.0501 2.47 0.28 0.0293 1.51 2.8121 0.9723 1970708 ChemDiv1_000845 COc1ccc(/C=C\2/SC(=O)N(CC(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nc(C)cc(C)n4)C2=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 G10 compound treatment 0.258 0.0231 1.14 0.257 0.00634 0.33 1.0345 0.8749 1188854 ChemDiv1_000846 COc1ccc(OC)c(c1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 G11 compound treatment 0.261 0.0261 1.28 0.255 0.00434 0.22 1.0662 0.818 1430380 ChemDiv1_000847 CCOC(=O)c1sc(=S)n(CC=C)c1N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 G12 compound treatment 0.261 0.0261 1.28 0.268 0.0173 0.89 1.5394 0.9842 1917513 ChemDiv1_000848 Cc1c(NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)/SC2=S)c(=O)n(c4ccccc4)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 G13 compound treatment 0.304 0.0691 3.4 0.295 0.0443 2.28 4.0198 0.9812 1669806 ChemDiv1_000849 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4OCOc4c3)c(=O)n2C1c5ccc(OC(=O)C)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 G14 compound treatment 0.363 0.128 6.31 0.343 0.0923 4.75 7.8219 0.9903 1931674 ChemDiv1_000850 CC(N1C(=O)/C(=C/c2ccccc2)/SC1=S)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 G15 compound treatment 0.272 0.0371 1.83 0.271 0.0203 1.05 2.0317 0.9652 1970709 ChemDiv1_000851 COc1ccc(C2NC(=O)NC(=C2C(=O)OCCSc3ccccc3)C)c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 G16 compound treatment 0.279 0.0441 2.17 0.276 0.0253 1.3 2.4575 0.9703 1970710 ChemDiv1_000852 COc1ccc(/C=C\2/SC(=O)N(CCC(=O)Nc3ccc(C)cc3)C2=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 G17 compound treatment 0.285 0.0501 2.47 0.291 0.0403 2.08 3.2125 0.9964 1178722 ChemDiv1_000853 CC1=C(C(NC(=O)N1)c2cc3OCOc3cc2Br)C(=O)OCc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 G18 compound treatment 0.258 0.0231 1.14 0.268 0.0173 0.89 1.4349 0.9929 1970711 ChemDiv1_000854 CCOC(=O)c1ccc(NC(=O)CCN2C(=O)S/C(=C/c3ccc(OC)cc3)/C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 G19 compound treatment 0.24 0.00507 0.25 0.243 -0.00766 -0.39 -0.102 -0.2187 1970712 ChemDiv1_000855 CC1=C(C(NC(=O)N1)c2ccccc2Br)C(=O)OCC(F)(F)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 G20 compound treatment 0.264 0.0291 1.43 0.263 0.0123 0.64 1.4619 0.9332 1970713 ChemDiv1_000856 CN1C(=O)/C(=C/2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)/c4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 G21 compound treatment 0.247 0.0121 0.59 0.248 -0.00266 -0.14 0.3238 0.5307 1146354 ChemDiv1_000857 CC1CCCC1OC(=O)C2=C(C)NC(=O)NC2c3cc4OCOc4cc3Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 G22 compound treatment 0.3 0.0651 3.2 0.292 0.0413 2.13 3.7713 0.9802 1937739 ChemDiv1_000858 Cc1ccc(/C=C/2\SC(=S)N(C(Cc3ccccc3)C(=O)O)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 G23 mock treatment 0.248 0.0131 0.64 0.253 0.00234 0.12 0.5406 0.8253 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 G24 mock treatment 0.228 -0.00693 -0.34 0.25 -6.55E-4 -0.03 -0.2652 -0.7732 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 H01 compound treatment 0.251 0.0161 0.79 0.279 0.0283 1.46 1.5915 0.9587 1970714 ChemDiv1_000859 Clc1ccc(/N=C/2\NC(=O)C(Cc3cccc4ccccc34)S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 H02 compound treatment 0.255 0.0201 0.99 0.259 0.00834 0.43 1.0028 0.9303 1939227 ChemDiv1_000860 [O-][N+](=O)c1cc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccco4)cc(Oc5cccnc5)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 H03 compound treatment 0.245 0.0101 0.5 0.25 -6.55E-4 -0.03 0.3269 0.6575 1970715 ChemDiv1_000861 CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)COc3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 H04 compound treatment 0.254 0.0191 0.94 0.256 0.00534 0.28 0.8588 0.8774 1615499 ChemDiv1_000862 CN1C(=C(C(NC1=O)c2ccc(Cl)c(Cl)c2)C(=O)OCCc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 H05 compound treatment 0.252 0.0171 0.84 0.258 0.00734 0.38 0.8619 0.9349 1970716 ChemDiv1_000863 Brc1ccc2oc(=O)c(cc2c1)c3nc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 H06 compound treatment 0.253 0.0181 0.89 0.257 0.00634 0.33 0.8603 0.9074 1780348 ChemDiv1_000864 COc1ccc(CCN2C(SCC2=O)c3ccccc3[N+](=O)[O-])cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 H07 compound treatment 0.252 0.0171 0.84 0.26 0.00934 0.48 0.9347 0.9649 1403092 ChemDiv1_000865 CCOc1cccc2cc(C(=O)N)c(=Nc3sc4CCCCc4c3C(=O)N)oc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 H08 compound treatment 0.285 0.0501 2.47 0.284 0.0333 1.72 2.9577 0.9843 1375710 ChemDiv1_000866 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccc(o4)c5cccc(Cl)c5)C(=O)CC(C)(C)C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 H09 compound treatment 0.274 0.0391 1.92 0.28 0.0293 1.51 2.429 0.9928 1970717 ChemDiv1_000867 CN1C(=C(C(NC1=O)c2ccc(cc2)[N+](=O)[O-])C(=O)OCCOc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 H10 compound treatment 0.284 0.0491 2.42 0.282 0.0313 1.61 2.85 0.9807 1970718 ChemDiv1_000868 [O-][N+](=O)c1ccc(C(=O)Nc2ccc3oc(nc3c2)c4cccc5ccccc45)c(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 H11 compound treatment 0.257 0.0221 1.09 0.257 0.00634 0.33 0.9996 0.8807 1970719 ChemDiv1_000869 CCOCCOC(=O)C1=C(C)NC2=C(C1c3ccc(OCc4ccccc4)c(OC)c3)C(=O)CCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 H12 compound treatment 0.302 0.0671 3.3 0.286 0.0353 1.82 3.6225 0.9605 1920846 ChemDiv1_000870 CCN(CC)c1nc(Nc2ccc(cc2)[N+](=O)[O-])nc(n1)N(CC)CC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 H13 compound treatment 0.263 0.0281 1.38 0.265 0.0143 0.74 1.4998 0.9569 1918685 ChemDiv1_000871 FC(F)(F)C(Oc1nc(NCC=C)nc(n1)N2CCOCC2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 H14 compound treatment 0.263 0.0281 1.38 0.258 0.00734 0.38 1.245 0.8686 1938791 ChemDiv1_000872 CCOC(=O)/C=C(\C)/N1N=C(CC1c2ccccc2[N+](=O)[O-])c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 H15 compound treatment 0.326 0.0911 4.49 0.324 0.0733 3.78 5.8417 0.9963 1925255 ChemDiv1_000873 CNc1nc(Nc2ccc(cc2)[N+](=O)[O-])nc(OCC(F)(F)C(F)F)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 H16 compound treatment 0.286 0.0511 2.52 0.287 0.0363 1.87 3.1017 0.9894 1501427 ChemDiv1_000874 Nc1c(sc2nc3CCCCCc3cc12)C(=O)Nc4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 H17 compound treatment 0.287 0.0521 2.56 0.29 0.0393 2.03 3.2457 0.9932 1776207 ChemDiv1_000875 Cc1cc(nn1CC(=O)Nc2cc(Oc3cccc(Cl)c3)cc(c2)[N+](=O)[O-])[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 H18 compound treatment 0.248 0.0131 0.64 0.258 0.00734 0.38 0.7226 0.9678 1970720 ChemDiv1_000876 C/C(=C\Cn1c(SCC=C)nc2n(C)c(=O)[nH]c(=O)c12)/Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 H19 compound treatment 0.256 0.0211 1.04 0.259 0.00834 0.43 1.0376 0.9238 1970721 ChemDiv1_000877 COc1ccc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccccc4)c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 H20 compound treatment 0.246 0.0111 0.55 0.248 -0.00266 -0.14 0.2889 0.514 1778213 ChemDiv1_000878 Cn1c(=O)[nH]c(=O)c2n(CC(O)COc3ccc(cc3)[N+](=O)[O-])c(nc12)N4CCCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 H21 compound treatment 0.26 0.0251 1.23 0.263 0.0123 0.64 1.3225 0.9523 1970722 ChemDiv1_000879 FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)NCCCn3ccnc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 H22 compound treatment 0.245 0.0101 0.5 0.254 0.00334 0.17 0.4725 0.8999 1936592 ChemDiv1_000880 CC1=C(C(NC(=O)N1)c2ccc(Cl)cc2Cl)C(=O)Nc3ccccc3C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 H23 mock treatment 0.254 0.0191 0.94 0.258 0.00734 0.38 0.9316 0.92 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 H24 mock treatment 0.227 -0.00793 -0.39 0.252 0.00134 0.07 -0.2272 -0.5728 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 I01 compound treatment 0.231 -0.00393 -0.19 0.248 -0.00266 -0.14 -0.2335 -0.9855 1970723 ChemDiv1_000881 [O-][N+](=O)c1ccc(cc1)C(=O)Nc2ccc3oc(nc3c2)c4cccc(Br)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 I02 compound treatment 0.263 0.0281 1.38 0.279 0.0283 1.46 2.0095 0.9996 1970724 ChemDiv1_000882 CC1=C(C(NC(=O)N1)c2ccccc2Br)C(=O)OC3CCCCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 I03 compound treatment 0.389 0.154 7.59 0.377 0.126 6.5 9.9651 0.9971 1970725 ChemDiv1_000883 CCCCCCc1cc2cc(c3nnc(o3)c4ccccc4)c(=O)oc2cc1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 I04 compound treatment 0.247 0.0121 0.59 0.248 -0.00266 -0.14 0.3238 0.5307 1970726 ChemDiv1_000884 CCOC(=O)C1=C(N)OC2=C(C1c3ccc(cc3)[N+](=O)[O-])C(=O)CCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 I05 compound treatment 0.251 0.0161 0.79 0.26 0.00934 0.48 0.8999 0.9715 1970727 ChemDiv1_000885 CSc1nc(NC(=O)C)n[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 I06 compound treatment 0.261 0.0261 1.28 0.26 0.00934 0.48 1.2482 0.9102 1940101 ChemDiv1_000886 CCOCCOC(=O)C1=C(C)N(C)C(=O)NC1c2ccc(OCc3ccccc3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 I07 compound treatment 0.276 0.0411 2.02 0.273 0.0223 1.15 2.2438 0.9642 1970728 ChemDiv1_000887 [O-][N+](=O)c1cccc(c1)C2SCCN2C(=O)c3cc4cc(Br)ccc4oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 I08 compound treatment 0.256 0.0211 1.04 0.264 0.0133 0.69 1.2196 0.9799 1425833 ChemDiv1_000888 O=C1Nc2ccccc2C31NC(=O)NC(=O)N3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 I09 compound treatment 0.325 0.0901 4.44 0.325 0.0743 3.83 5.8432 0.9973 1970729 ChemDiv1_000889 CCN(CC)CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)/SC2=S)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 I10 compound treatment 0.255 0.0201 0.99 0.261 0.0103 0.53 1.0756 0.9579 1494744 ChemDiv1_000890 COc1cccc(C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 I11 compound treatment 0.288 0.0531 2.61 0.281 0.0303 1.56 2.9529 0.9697 1118474 ChemDiv1_000891 Clc1ccc(cc1)C(=O)Nc2c(nc3ccc(Cl)cn23)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 I12 compound treatment 0.299 0.0641 3.16 0.297 0.0463 2.39 3.9185 0.9905 1917628 ChemDiv1_000892 CCOC(=O)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3)/C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 I13 compound treatment 0.269 0.0341 1.68 0.269 0.0183 0.94 1.8544 0.963 1488190 ChemDiv1_000893 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(cc3)N(C)C)c(=O)n2C1c4ccc(OC(=O)C)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 I14 compound treatment 0.256 0.0211 1.04 0.26 0.00934 0.48 1.074 0.9389 1630067 ChemDiv1_000894 OCC1OC(Oc2ccc3c(=O)c(coc3c2)c4ccc5OCCOc5c4)C(O)C(O)C1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 I15 compound treatment 0.249 0.0141 0.69 0.259 0.00834 0.43 0.7938 0.9736 1970730 ChemDiv1_000895 COCCOC(=O)C1=C(C)NC(=O)NC1c2cc3OCOc3cc2Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 I16 compound treatment 0.288 0.0531 2.61 0.295 0.0443 2.28 3.4626 0.9977 1970731 ChemDiv1_000896 COc1ccc(/C=C\2/SC(=O)N(CCC(=O)Nc3cccc(C)c3)C2=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 I17 compound treatment 0.266 0.0311 1.53 0.273 0.0223 1.15 1.8955 0.9901 1574032 ChemDiv1_000897 CC1CCCC(C1)OC(=O)C2=C(C)NC(=O)NC2c3cc4OCOc4cc3Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 I18 compound treatment 0.287 0.0521 2.56 0.286 0.0353 1.82 3.1001 0.9859 1970732 ChemDiv1_000898 CCN(CC)CCOC(=O)c1ccc(NC(=O)CCN2C(=O)S/C(=C/c3ccc(OC)cc3)/C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 I19 compound treatment 0.273 0.0381 1.88 0.28 0.0293 1.51 2.3941 0.9943 1970733 ChemDiv1_000899 CCCC(C)COC(=O)C1=C(C)NC(=O)NC1c2cc3OCOc3cc2Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 I20 compound treatment 0.252 0.0171 0.84 0.258 0.00734 0.38 0.8619 0.9349 1970734 ChemDiv1_000900 CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)COc3cc(C)ccc3C(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 I21 compound treatment 0.256 0.0211 1.04 0.262 0.0113 0.58 1.1468 0.963 1191892 ChemDiv1_000901 CC1CCC(CC1C)OC(=O)C2=C(C)NC(=O)NC2c3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 I22 compound treatment 0.259 0.0241 1.19 0.262 0.0113 0.58 1.2513 0.9468 1937334 ChemDiv1_000902 COc1cccc(/C=C\2/SC(=S)N(CCC(=O)Nc3c(C)n(C)n(c4ccccc4)c3=O)C2=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 I23 mock treatment 0.249 0.0141 0.69 0.258 0.00734 0.38 0.7574 0.9594 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 I24 mock treatment 0.233 -0.00193 -0.09 0.255 0.00434 0.22 0.091 0.3745 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 J01 compound treatment 0.256 0.0211 1.04 0.276 0.0253 1.3 1.6565 0.9936 1970735 ChemDiv1_000903 Brc1ccc(/N=C/2\NC(=O)C(Cc3cccc4ccccc34)S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 J02 compound treatment 0.246 0.0111 0.55 0.253 0.00234 0.12 0.4709 0.8432 1970736 ChemDiv1_000904 COc1cc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccco4)c(OC)cc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 J03 compound treatment 0.25 0.0151 0.74 0.253 0.00234 0.12 0.6102 0.8114 1970737 ChemDiv1_000905 CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 J04 compound treatment 0.253 0.0181 0.89 0.26 0.00934 0.48 0.9695 0.9583 1970738 ChemDiv1_000906 COc1ccc(OC)c(c1)C2NC(=O)N(C)C(=C2C(=O)OCCOc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 J05 compound treatment 0.247 0.0121 0.59 0.258 0.00734 0.38 0.6878 0.9761 1229622 ChemDiv1_000907 CCOc1ccc2cc(c3nc4ccccc4s3)c(=O)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 J06 compound treatment 0.255 0.0201 0.99 0.261 0.0103 0.53 1.0756 0.9579 1684233 ChemDiv1_000908 COc1ccc(CCN2C(SCC2=O)c3ccc(OC)c(OC)c3)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 J07 compound treatment 0.244 0.00907 0.45 0.255 0.00434 0.22 0.4741 0.9488 1612031 ChemDiv1_000909 NC(=O)c1c(N=c2oc3ccc(Br)cc3cc2C(=O)N)sc4CCCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 J08 compound treatment 0.29 0.0551 2.71 0.295 0.0443 2.28 3.5322 0.9963 1970739 ChemDiv1_000910 Brc1ccc(OCc2ccccc2)c(/C=C/3\Sc4ccccc4C3=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 J09 compound treatment 0.248 0.0131 0.64 0.252 0.00134 0.07 0.5042 0.7787 1970740 ChemDiv1_000911 COC(=O)c1ccc(cc1)C2NC(=O)N(C)C(=C2C(=O)OCCOc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 J10 compound treatment 0.27 0.0351 1.73 0.277 0.0263 1.36 2.1804 0.9928 1276648 ChemDiv1_000912 CCc1ccc2oc(nc2c1)c3ccc(NC(=O)c4cccc5ccccc45)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 J11 compound treatment 0.267 0.0321 1.58 0.273 0.0223 1.15 1.9304 0.9879 1970741 ChemDiv1_000913 CCOCCOC(=O)C1=C(C)NC2=C(C1c3ccc(OCc4ccccc4)c(OC)c3)C(=O)CC(C)(C)C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 J12 compound treatment 0.26 0.0251 1.23 0.267 0.0163 0.84 1.4682 0.9825 1970742 ChemDiv1_000914 [O-][N+](=O)c1ccc(Nc2nc(nc(n2)N3CCOCC3)N4CCOCC4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 J13 compound treatment 0.272 0.0371 1.83 0.274 0.0233 1.2 2.1409 0.9794 1970743 ChemDiv1_000915 FC(F)(F)C(Oc1nc(NCC=C)nc(n1)N2CCCCC2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 J14 compound treatment 0.242 0.00707 0.35 0.256 0.00534 0.28 0.4408 0.9932 1235617 ChemDiv1_000916 Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 J15 compound treatment 0.292 0.0571 2.81 0.314 0.0633 3.26 4.2935 0.9973 1691985 ChemDiv1_000917 O=c1[nH]c2ccccc2nc1c3cc(c(s3)c4ccccc4)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 J16 compound treatment 0.254 0.0191 0.94 0.268 0.0173 0.89 1.2956 0.9997 1970744 ChemDiv1_000918 Cc1ccc(C#N)c(SCC(=O)c2ccc(Br)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 J17 compound treatment 0.26 0.0251 1.23 0.266 0.0153 0.79 1.4318 0.9767 1970745 ChemDiv1_000919 CCOC(=O)c1sc(NC(=O)Cn2nc(cc2C)C(F)(F)F)c(C(=O)OCC)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 J18 compound treatment 0.249 0.0141 0.69 0.252 0.00134 0.07 0.539 0.7739 1970746 ChemDiv1_000920 C/C(=C\Cn1c(SCC(=O)N)nc2n(C)c(=O)[nH]c(=O)c12)/Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 J19 compound treatment 0.268 0.0331 1.63 0.271 0.0203 1.05 1.8924 0.9772 1939457 ChemDiv1_000921 FC(F)(F)c1cc(nc2c(Cl)c(nn12)C(=O)NCCN3CCOCC3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 J20 compound treatment 0.252 0.0171 0.84 0.256 0.00534 0.28 0.7891 0.892 1466455 ChemDiv1_000922 COc1ccc(CCNc2nc3n(C)c(=O)[nH]c(=O)c3n2CC(O)COc4ccc(Cl)cc4)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 J21 compound treatment 0.247 0.0121 0.59 0.256 0.00534 0.28 0.615 0.9387 1970747 ChemDiv1_000923 [O-][N+](=O)c1cc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4cccs4)cc(Oc5cccnc5)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 J22 compound treatment 0.248 0.0131 0.64 0.251 3.45E-4 0.02 0.4678 0.7263 1970748 ChemDiv1_000924 CC1=C(C(NC(=O)N1)c2ccc(Cl)cc2Cl)C(=O)Nc3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 J23 mock treatment 0.239 0.00407 0.2 0.252 0.00134 0.07 0.1908 0.8992 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 J24 mock treatment 0.222 -0.0129 -0.64 0.251 3.45E-4 0.02 -0.4377 -0.6871 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 K01 compound treatment 0.234 -9.29E-4 -0.05 0.255 0.00434 0.22 0.1258 0.5511 1472669 ChemDiv1_000925 O=c1oc2ccc3ccccc3c2cc1c4nnc(o4)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 K02 compound treatment 0.279 0.0441 2.17 0.284 0.0333 1.72 2.7487 0.9932 1938501 ChemDiv1_000926 CCN(CC)c1ccc(cc1)C2NC(=O)NC(=C2C(=O)OCCOc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 K03 compound treatment 0.257 0.0221 1.09 0.258 0.00734 0.38 1.0361 0.9002 1319248 ChemDiv1_000927 Cc1cccc(c1)C(=O)NCCN2CCN(CC2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 K04 compound treatment 0.246 0.0111 0.55 0.255 0.00434 0.22 0.5437 0.9226 1193080 ChemDiv1_000928 CCOC(=O)C1=C(N)OC2=C(C1c3ccc4OCOc4c3)C(=O)CCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 K05 compound treatment 0.258 0.0231 1.14 0.267 0.0163 0.84 1.3985 0.9891 1737822 ChemDiv1_000929 COc1ccc(Br)cc1C2SCCN2C(=O)c3cc4ccccc4oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 K06 compound treatment 0.256 0.0211 1.04 0.259 0.00834 0.43 1.0376 0.9238 1227121 ChemDiv1_000930 CCCOC(=O)C1=C(C)N(C)C(=O)NC1c2cc3OCOc3cc2Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 K07 compound treatment 0.254 0.0191 0.94 0.261 0.0103 0.53 1.0408 0.9639 1397722 ChemDiv1_000931 COc1ccc(cc1OC)C2SCCN2C(=O)c3cc4cc(Br)ccc4oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 K08 compound treatment 0.259 0.0241 1.19 0.261 0.0103 0.53 1.2149 0.9348 1241695 ChemDiv1_000932 COc1cc(cc(OC)c1OC)C(=O)Nc2ccc3nc(NC(=O)C)sc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 K09 compound treatment 0.248 0.0131 0.64 0.249 -0.00166 -0.09 0.395 0.6082 1970749 ChemDiv1_000933 CCOC(=O)COc1ccc2c(=O)c(c3ccc4OCCOc4c3)c(oc2c1)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 K10 compound treatment 0.259 0.0241 1.19 0.261 0.0103 0.53 1.2149 0.9348 1690480 ChemDiv1_000934 Oc1cccc(c1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 K11 compound treatment 0.254 0.0191 0.94 0.259 0.00834 0.43 0.968 0.9371 1245216 ChemDiv1_000935 CCOC(=O)c1c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)sc4CCCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 K12 compound treatment 0.276 0.0411 2.02 0.267 0.0163 0.84 2.0254 0.9244 1970750 ChemDiv1_000936 Oc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Br)cc3)/C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 K13 compound treatment 0.256 0.0211 1.04 0.263 0.0123 0.64 1.1832 0.9723 1778372 ChemDiv1_000937 CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(c3)[N+](=O)[O-])c(=O)n2C1c4ccc(OC(=O)C)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 K14 compound treatment 0.244 0.00907 0.45 0.26 0.00934 0.48 0.6561 0.9993 1559049 ChemDiv1_000938 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 K15 compound treatment 0.296 0.0611 3.01 0.305 0.0543 2.8 4.1052 0.9993 1970751 ChemDiv1_000939 CC1=C(C(NC(=O)N1)c2cc3OCOc3cc2Br)C(=O)OCCSc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 K16 compound treatment 0.285 0.0501 2.47 0.275 0.0243 1.25 2.63 0.9507 1970752 ChemDiv1_000940 COc1ccc(/C=C\2/SC(=O)N(CCC(=O)Nc3ccccc3C)C2=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 K17 compound treatment 0.249 0.0141 0.69 0.255 0.00434 0.22 0.6482 0.8901 1241175 ChemDiv1_000941 CC(C)COC(=O)C1=C(C)NC(=O)NC1c2cc3OCOc3cc2Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 K18 compound treatment 0.286 0.0511 2.52 0.291 0.0403 2.08 3.2473 0.9955 1970753 ChemDiv1_000942 CCN(CC)CCOC(=O)c1ccc(NC(=O)CCN2C(=O)S/C(=C/c3ccc(Cl)cc3)/C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 K19 compound treatment 0.274 0.0391 1.92 0.265 0.0143 0.74 1.8829 0.9135 1201300 ChemDiv1_000943 CCOc1ccc(cc1)c2c(C#N)c(N)nc(OC)c2C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 K20 compound treatment 0.3 0.0651 3.2 0.3 0.0493 2.54 4.0625 0.9934 1970754 ChemDiv1_000944 CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)COc3cc(C)c(Cl)c(C)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 K21 compound treatment 0.339 0.104 5.13 0.337 0.0863 4.45 6.7677 0.9975 1510506 ChemDiv1_000945 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3cc4OCOc4cc3Br)C(=O)OC5CCCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 K22 compound treatment 0.471 0.236 11.63 0.467 0.216 11.14 16.0971 0.9998 1937001 ChemDiv1_000946 COc1ccccc1C(=O)NN2C(=O)/C(=C\3/C(=O)N(CC(=O)O)c4ccccc34)/SC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 K23 mock treatment 0.26 0.0251 1.23 0.256 0.00534 0.28 1.0677 0.844 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 K24 mock treatment 0.223 -0.0119 -0.59 0.254 0.00334 0.17 -0.2937 -0.4797 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 L01 compound treatment 0.281 0.0461 2.27 0.3 0.0493 2.54 3.4008 0.9984 1970755 ChemDiv1_000947 Clc1cccc(CC2S/C(=N/c3ccccc3)/NC2=O)c1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 L02 compound treatment 0.252 0.0171 0.84 0.262 0.0113 0.58 1.0075 0.9841 1970756 ChemDiv1_000948 FC(F)(F)c1cccc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccco4)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 L03 compound treatment 0.25 0.0151 0.74 0.258 0.00734 0.38 0.7923 0.951 1613641 ChemDiv1_000949 CCC1CCCCN1C(=O)CCN2C(=O)c3ccccc3C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 L04 compound treatment 0.248 0.0131 0.64 0.255 0.00434 0.22 0.6134 0.9 1970757 ChemDiv1_000950 CN1C(=C(C(NC1=O)c2ccc3OCOc3c2)C(=O)OCCOc4ccccc4)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 L05 compound treatment 0.269 0.0341 1.68 0.27 0.0193 1.0 1.8908 0.969 1487615 ChemDiv1_000951 CCN(CC)c1ccc2cc(C(=O)N)c(=Nc3ccc(Cl)cc3Cl)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 L06 compound treatment 0.255 0.0201 0.99 0.26 0.00934 0.48 1.0392 0.9452 1970758 ChemDiv1_000952 CC(C)Oc1ccc(OCCSc2nc3ccccc3n2CC(=O)O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 L07 compound treatment 0.251 0.0161 0.79 0.254 0.00334 0.17 0.6815 0.8413 1151416 ChemDiv1_000953 NC(=O)c1c(N=c2oc3ccc(Cl)cc3cc2C(=O)N)sc4CCCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 L08 compound treatment 0.255 0.0201 0.99 0.261 0.0103 0.53 1.0756 0.9579 1671108 ChemDiv1_000954 COc1ccc(Nc2nc3nonc3nc2Nc4c(C)n(C)n(c5ccccc5)c4=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 L09 compound treatment 0.262 0.0271 1.33 0.269 0.0183 0.94 1.6106 0.9857 1970759 ChemDiv1_000955 COc1cc(cc(Br)c1O)C2NC(=O)N(C)C(=C2C(=O)OCCOc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 L10 compound treatment 0.293 0.0581 2.86 0.301 0.0503 2.59 3.8551 0.9988 1199638 ChemDiv1_000956 Clc1ccc(Cl)c2c3CCNC(=O)c3[nH]c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 L11 compound treatment 0.275 0.0401 1.97 0.278 0.0273 1.41 2.391 0.9863 1970760 ChemDiv1_000957 CCCCOC(=O)C1=C(C)NC2=C(C1c3cc(Br)c(O)c(OC)c3)C(=O)CC(C)(C)C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 L12 compound treatment 0.277 0.0421 2.07 0.291 0.0403 2.08 2.9339 1.0 1471109 ChemDiv1_000958 CCOC(=O)CNc1nc(Cl)nc(Nc2ccc(C)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 L13 compound treatment 0.256 0.0211 1.04 0.263 0.0123 0.64 1.1832 0.9723 1970761 ChemDiv1_000959 FC(F)(F)C(Oc1nc(nc(n1)N2CCOCC2)N3CCCCC3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 L14 compound treatment 0.255 0.0201 0.99 0.262 0.0113 0.58 1.112 0.9685 1970762 ChemDiv1_000960 CCSCCOC(=O)C1=C(C)N(C)C(=O)NC1c2cc(Cl)c(O)c(OC)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 L15 compound treatment 0.254 0.0191 0.94 0.261 0.0103 0.53 1.0408 0.9639 1970763 ChemDiv1_000961 COc1ccc(C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 L16 compound treatment 0.268 0.0331 1.63 0.271 0.0203 1.05 1.8924 0.9772 1970764 ChemDiv1_000962 CCOC(=O)C1=C(N)OC2=C(C1c3cccc(Br)c3)C(=O)CCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 L17 compound treatment 0.278 0.0431 2.12 0.281 0.0303 1.56 2.6047 0.9887 1970765 ChemDiv1_000963 Cc1c(Br)c(nn1CC(=O)Nc2cc(Oc3cccnc3)cc(c2)[N+](=O)[O-])C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 L18 compound treatment 0.263 0.0281 1.38 0.268 0.0173 0.89 1.609 0.9776 1475170 ChemDiv1_000964 Cn1c(=O)[nH]c(=O)c2n(CC(O)COc3ccc(Cl)cc3)c(SCC(=O)c4ccc(Cl)cc4)nc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 L19 compound treatment 0.278 0.0431 2.12 0.27 0.0193 1.0 2.2042 0.9406 1970766 ChemDiv1_000965 FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)NCc3cccnc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 L20 compound treatment 0.31 0.0751 3.7 0.303 0.0523 2.69 4.52 0.9879 1970767 ChemDiv1_000966 CCCCCCCn1c(SC/C=C(\C)/Cl)nc2n(C)c(=O)[nH]c(=O)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 L21 compound treatment 0.254 0.0191 0.94 0.259 0.00834 0.43 0.968 0.9371 1939342 ChemDiv1_000967 COC(=O)c1ccccc1NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 L22 compound treatment 0.258 0.0231 1.14 0.264 0.0133 0.69 1.2893 0.971 1554388 ChemDiv1_000968 COc1cc(cc(Cl)c1O)C2NC(=O)N(C)C(=C2C(=O)OCc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 L23 mock treatment 0.26 0.0251 1.23 0.258 0.00734 0.38 1.1405 0.8832 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 L24 mock treatment 0.237 0.00207 0.1 0.253 0.00234 0.12 0.1575 0.9965 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 M01 compound treatment 0.247 0.0121 0.59 0.257 0.00634 0.33 0.6514 0.9602 1436274 ChemDiv1_000969 CCN(CC)c1ccc2cc(c3nnc(o3)c4ccccc4)c(=O)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 M02 compound treatment 0.272 0.0371 1.83 0.277 0.0263 1.36 2.2501 0.9893 1620054 ChemDiv1_000970 COc1ccc(cc1Br)C2NC(=O)NC(=C2C(=O)OC3CCCC(C)C3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 M03 compound treatment 0.262 0.0271 1.33 0.264 0.0133 0.69 1.4286 0.9524 1939428 ChemDiv1_000971 COc1ccccc1OCCSc2nc3ccc(Br)cc3[nH]2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 M04 compound treatment 0.253 0.0181 0.89 0.26 0.00934 0.48 0.9695 0.9583 1381928 ChemDiv1_000972 CCCOC(=O)C1=C(C)N(C)C(=O)NC1c2cc(Br)c(O)c(OC)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 M05 compound treatment 0.279 0.0441 2.17 0.278 0.0273 1.41 2.5303 0.978 1970768 ChemDiv1_000973 COc1ccc(cc1[N+](=O)[O-])C2SCCN2C(=O)c3cc4ccccc4oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 M06 compound treatment 0.28 0.0451 2.22 0.287 0.0363 1.87 2.8927 0.9964 1970769 ChemDiv1_000974 CCCCOc1ccccc1C2NC(=O)NC(=C2C(=O)OCCc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 M07 compound treatment 0.277 0.0421 2.07 0.291 0.0403 2.08 2.9339 1.0 1970770 ChemDiv1_000975 Cc1cccc(CC2S/C(=N/c3ccc(Cl)cc3)/NC2=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 M08 compound treatment 0.263 0.0281 1.38 0.259 0.00834 0.43 1.2814 0.8851 1501214 ChemDiv1_000976 COc1cc(ccc1OCc2ccccc2)C3C4=C(CCCC4=O)OC5=C3C(=O)CCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 M09 compound treatment 0.281 0.0461 2.27 0.298 0.0473 2.44 3.328 0.9994 1672123 ChemDiv1_000977 CCOC(=O)C(C)Oc1cc(OC(C)C(=O)OCC)c2c(=O)cc(oc2c1)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 M10 compound treatment 0.364 0.129 6.36 0.382 0.131 6.76 9.2764 0.9995 1970771 ChemDiv1_000978 OC(=O)CN1C(=O)/C(=C/c2ccc(C=O)cc2)/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 M11 compound treatment 0.273 0.0381 1.88 0.276 0.0253 1.3 2.2485 0.9843 1970772 ChemDiv1_000979 Clc1c(sc2cc(Cl)ccc12)C(=O)Nc3ccc(I)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 M12 compound treatment 0.257 0.0221 1.09 0.257 0.00634 0.33 0.9996 0.8807 1271157 ChemDiv1_000980 CC1N(C(Cc2c1[nH]c3ccccc23)C(=O)O)C(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 M13 compound treatment 0.278 0.0431 2.12 0.29 0.0393 2.03 2.9323 0.9997 1127726 ChemDiv1_000981 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)c(OCC)c3)c(=O)n2C1c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 M14 compound treatment 0.248 0.0131 0.64 0.257 0.00634 0.33 0.6862 0.9505 1970773 ChemDiv1_000982 CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCCCCN3C(=O)c4ccccc4C3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 M15 compound treatment 0.287 0.0521 2.56 0.276 0.0253 1.3 2.7361 0.9509 1970774 ChemDiv1_000983 CC1=C(C(NC(=O)N1)c2ccc3OCOc3c2)C(=O)OCCSc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 M16 compound treatment 0.271 0.0361 1.78 0.273 0.0223 1.15 2.0697 0.9779 1970775 ChemDiv1_000984 COc1ccc(/C=C\2/SC(=O)N(CCC(=O)Nc3ccccc3Br)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 M17 compound treatment 0.257 0.0221 1.09 0.266 0.0153 0.79 1.3273 0.9877 1970776 ChemDiv1_000985 COc1ccc(OC)c(c1)C2NC(=O)NC(=C2C(=O)OCCCBr)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 M18 compound treatment 0.285 0.0501 2.47 0.289 0.0383 1.97 3.1397 0.9939 1970777 ChemDiv1_000986 COc1ccc(/C=C/2\SC(=O)N(CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 M19 compound treatment 0.262 0.0271 1.33 0.266 0.0153 0.79 1.5014 0.9688 1970778 ChemDiv1_000987 COc1ccc(OC)c(C2NC(=O)NC(=C2C(=O)OCCSc3ccccc3)C)c1Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 M20 compound treatment 0.246 0.0111 0.55 0.255 0.00434 0.22 0.5437 0.9226 1511428 ChemDiv1_000988 CN(C1CCCCC1)C(=O)CCN2C(=O)c3ccccc3C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 M21 compound treatment 0.282 0.0471 2.32 0.29 0.0393 2.03 3.0716 0.9977 1589480 ChemDiv1_000989 CC1CCCC(C1)OC(=O)C2=C(C)NC(=O)NC2c3ccccc3OCc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 M22 compound treatment 0.256 0.0211 1.04 0.256 0.00534 0.28 0.9284 0.8647 1970779 ChemDiv1_000990 COc1cc(/C=C/2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 M23 mock treatment 0.254 0.0191 0.94 0.254 0.00334 0.17 0.786 0.823 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 M24 mock treatment 0.224 -0.0109 -0.54 0.252 0.00134 0.07 -0.3317 -0.6111 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 N01 compound treatment 0.641 0.406 20.0 0.641 0.39 20.1 28.3517 1.0 1970780 ChemDiv1_000991 CCOc1cc(/C=C\2/SC(=S)N(C(CCC(=O)O)C(=O)O)C2=O)ccc1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 N02 compound treatment 0.241 0.00607 0.3 0.253 0.00234 0.12 0.2968 0.9204 1970781 ChemDiv1_000992 FC(F)(F)c1ccccc1NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccco4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 N03 compound treatment 0.245 0.0101 0.5 0.256 0.00534 0.28 0.5453 0.9613 1158793 ChemDiv1_000993 COC(=O)c1ccc(NC(=S)NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 N04 compound treatment 0.285 0.0501 2.47 0.304 0.0533 2.75 3.6857 0.9986 1779438 ChemDiv1_000994 COc1cc(C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccccc4)C(=O)OC(C)C)c(cc1OC)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 N05 compound treatment 0.245 0.0101 0.5 0.263 0.0123 0.64 0.8001 0.9925 1462355 ChemDiv1_000995 NC(=O)c1cc2cc(Br)ccc2oc1=Nc3ccc(cc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 N06 compound treatment 0.257 0.0221 1.09 0.259 0.00834 0.43 1.0725 0.9175 1970782 ChemDiv1_000996 OCCn1c(SCCOc2ccc(Cl)cc2)nc3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 N07 compound treatment 0.25 0.0151 0.74 0.258 0.00734 0.38 0.7923 0.951 1970783 ChemDiv1_000997 Brc1ccc2oc(=O)c(cc2c1)c3csc(n3)c4cc5ccccc5oc4=N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 N08 compound treatment 0.272 0.0371 1.83 0.285 0.0343 1.77 2.5413 0.9999 1970784 ChemDiv1_000998 Clc1cccc(c1)c2ccc(/C=C\3/Sc4ccccc4C3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 N09 compound treatment 0.285 0.0501 2.47 0.291 0.0403 2.08 3.2125 0.9964 1970785 ChemDiv1_000999 CN1C(=C(C(NC1=O)c2cc3OCOc3cc2Br)C(=O)OCCOc4ccccc4)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 N10 compound treatment 0.255 0.0201 0.99 0.257 0.00634 0.33 0.93 0.8932 1673057 ChemDiv1_001000 Fc1ccc(Nc2nnc(s2)c3cc4cc(Cl)cc(Cl)c4oc3=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 N11 compound treatment 0.255 0.0201 0.99 0.26 0.00934 0.48 1.0392 0.9452 1592038 ChemDiv1_001001 COc1cc(cc(Br)c1O)C2NC(=O)N(C)C(=C2C(=O)OC3CCCCCC3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 N12 compound treatment 0.29 0.0551 2.71 0.288 0.0373 1.92 3.2774 0.9858 1702172 ChemDiv1_001002 OC(=O)c1cc2C3C=CCC3CN4C(C5CC=CC5c(c1)c42)c6ccccc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 N13 compound treatment 0.276 0.0411 2.02 0.289 0.0383 1.97 2.8262 0.9999 1921016 ChemDiv1_001003 FC(F)(F)C(Oc1nc(NC2CCCCC2)nc(n1)N3CCOCC3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 N14 compound treatment 0.266 0.0311 1.53 0.277 0.0263 1.36 2.0411 0.9982 1970786 ChemDiv1_001004 CN1C(=C(C(NC1=O)c2ccc(OCc3ccccc3)cc2)C(=O)OCCOc4ccccc4)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 N15 compound treatment 0.256 0.0211 1.04 0.26 0.00934 0.48 1.074 0.9389 1138497 ChemDiv1_001005 Clc1ccc(C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 N16 compound treatment 0.253 0.0181 0.89 0.254 0.00334 0.17 0.7511 0.8285 1970787 ChemDiv1_001006 CCOC(=O)C1=C(C)OC(=C(C#N)C1c2ccncc2)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 N17 compound treatment 0.255 0.0201 0.99 0.263 0.0123 0.64 1.1484 0.9772 1970788 ChemDiv1_001007 [O-][N+](=O)c1ncn(CC(=O)NCc2ccccc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 N18 compound treatment 0.26 0.0251 1.23 0.27 0.0193 1.0 1.5774 0.9943 1778501 ChemDiv1_001008 Cn1c(=O)[nH]c(=O)c2n(CC(O)COc3ccc(Cl)cc3)c(SCC(=O)c4ccc(cc4)[N+](=O)[O-])nc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 N19 compound treatment 0.287 0.0521 2.56 0.289 0.0383 1.97 3.2093 0.9916 1970789 ChemDiv1_001009 FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)NCCCN3CCOCC3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 N20 compound treatment 0.252 0.0171 0.84 0.259 0.00834 0.43 0.8983 0.9514 1778218 ChemDiv1_001010 CCc1ccc(OCC(O)Cn2c(SCCC(=O)O)nc3n(C)c(=O)[nH]c(=O)c23)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 N21 compound treatment 0.243 0.00807 0.4 0.258 0.00734 0.38 0.5485 0.9997 1970790 ChemDiv1_001011 COc1ccc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4cccs4)c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 N22 compound treatment 0.254 0.0191 0.94 0.258 0.00734 0.38 0.9316 0.92 1600335 ChemDiv1_001012 COC(=O)C1=C(C)OC(=C(C#N)C1c2ccc3OCOc3c2)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 N23 mock treatment 0.25 0.0151 0.74 0.258 0.00734 0.38 0.7923 0.951 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 N24 mock treatment 0.215 -0.0199 -0.98 0.25 -6.55E-4 -0.03 -0.7179 -0.731 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 O01 compound treatment 0.206 -0.0289 -1.42 0.22 -0.0307 -1.58 -2.1234 -0.9987 1970791 ChemDiv1_001013 COc1cccc2cc(c3nnc(o3)c4ccc(cc4)[N+](=O)[O-])c(=O)oc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 O02 compound treatment 0.242 0.00707 0.35 0.251 3.45E-4 0.02 0.2588 0.7422 1702986 ChemDiv1_001014 COc1cc(cc(Br)c1O)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)OC4CCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 O03 compound treatment 0.241 0.00607 0.3 0.25 -6.55E-4 -0.03 0.1876 0.6234 1970792 ChemDiv1_001015 CCc1ccc(OCCSc2nc3ccccc3n2CCC(=O)O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 O04 compound treatment 0.254 0.0191 0.94 0.259 0.00834 0.43 0.968 0.9371 1267583 ChemDiv1_001016 COc1cc(cc(Br)c1O)C2NC(=O)N(C)C(=C2C(=O)OCc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 O05 compound treatment 0.252 0.0171 0.84 0.272 0.0213 1.1 1.3716 0.9913 1209022 ChemDiv1_001017 Brc1ccc(cc1)C2SCCN2C(=O)c3cc4ccccc4oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 O06 compound treatment 0.299 0.0641 3.16 0.314 0.0633 3.26 4.5373 0.9999 1397984 ChemDiv1_001018 COc1cc(ccc1OCc2ccccc2)C3NC(=O)NC(=C3C(=O)OCCc4ccccc4)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 O07 compound treatment 0.338 0.103 5.08 0.334 0.0833 4.29 6.6236 0.9965 1922340 ChemDiv1_001019 CC(C)C(N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)/SC1=S)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 O08 compound treatment 0.237 0.00207 0.1 0.266 0.0153 0.79 0.6307 0.7919 1613343 ChemDiv1_001020 CCOc1cc(ccc1O)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 O09 compound treatment 0.245 0.0101 0.5 0.255 0.00434 0.22 0.5089 0.9353 1562337 ChemDiv1_001021 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2C1c4ccc(OC(=O)C)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 O10 compound treatment 0.268 0.0331 1.63 0.282 0.0313 1.61 2.2928 1.0 1492534 ChemDiv1_001022 OC(=O)CCn1c(SCc2cccc3ccccc23)nc4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 O11 compound treatment 0.274 0.0391 1.92 0.281 0.0303 1.56 2.4654 0.9946 1163020 ChemDiv1_001023 Clc1c(sc2cc(Cl)ccc12)C(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 O12 compound treatment 0.372 0.137 6.75 0.381 0.13 6.71 9.5187 1.0 1970793 ChemDiv1_001024 CC(C)CC(N1C(=O)/C(=C\2/C(=O)Nc3ccc(Br)cc23)/SC1=S)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 O13 compound treatment 0.28 0.0451 2.22 0.281 0.0303 1.56 2.6743 0.9852 1175295 ChemDiv1_001025 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)c(OC)c3)c(=O)n2C1c4ccc(OC(=O)C)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 O14 compound treatment 0.249 0.0141 0.69 0.249 -0.00166 -0.09 0.4298 0.6155 1970794 ChemDiv1_001026 CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN3C(=O)c4ccccc4C3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 O15 compound treatment 0.245 0.0101 0.5 0.247 -0.00366 -0.19 0.2177 0.4103 1450700 ChemDiv1_001027 COc1ccc(cc1Br)C2NC(=O)NC(=C2C(=O)OC3CCCC3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 O16 compound treatment 0.249 0.0141 0.69 0.268 0.0173 0.89 1.1215 0.9922 1970795 ChemDiv1_001028 COc1ccc(/C=C/2\SC(=O)N(CCC(=O)Nc3c(C)n(C)n(c4ccccc4)c3=O)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 O17 compound treatment 0.3 0.0651 3.2 0.315 0.0643 3.31 4.6085 0.9999 1970796 ChemDiv1_001029 CCCCCCOC(=O)C1=C(C)NC(=O)NC1c2cc3OCOc3cc2Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 O18 compound treatment 0.276 0.0411 2.02 0.282 0.0313 1.61 2.5714 0.9937 1970797 ChemDiv1_001030 Clc1ccc(/C=C/2\SC(=O)N(CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 O19 compound treatment 0.233 -0.00193 -0.09 0.253 0.00234 0.12 0.0182 0.1184 1970798 ChemDiv1_001031 CCCOc1ccc(cc1)C2NC(=O)NC(=C2C(=O)OCCCBr)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 O20 compound treatment 0.742 0.507 24.97 0.723 0.472 24.32 34.8543 0.9999 1970799 ChemDiv1_001032 OC(=O)CN1C(=O)/C(=C\c2ccc(O)cc2)/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 O21 compound treatment 0.287 0.0521 2.56 0.294 0.0433 2.23 3.3913 0.9976 1970800 ChemDiv1_001033 CC1=C(C(NC(=O)N1)c2cccc(Br)c2)C(=O)OCCOc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 O22 compound treatment 0.225 -0.00993 -0.49 0.257 0.00634 0.33 -0.1148 -0.1952 1941881 ChemDiv1_001034 CCOC(=O)c1c(C)c(sc1NC(=O)CCN2C(=O)c3ccccc3C2=O)C(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 O23 mock treatment 0.236 0.00107 0.05 0.254 0.00334 0.17 0.1591 0.8833 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 O24 mock treatment 0.202 -0.0329 -1.62 0.241 -0.00966 -0.5 -1.4983 -0.8833 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 P01 compound treatment 0.202 -0.0329 -1.62 0.204 -0.0467 -2.4 -2.8452 -0.9817 1723152 ChemDiv1_001035 NC(=O)c1c(NC(=O)CCN2C(=O)c3ccccc3C2=O)sc4CCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 P02 compound treatment 0.211 -0.0239 -1.18 0.236 -0.0147 -0.75 -1.3668 -0.9768 1778068 ChemDiv1_001036 Cc1cccc(Oc2cc(NC(=O)c3sc4ccccc4c3Cl)cc(c2)[N+](=O)[O-])c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 P03 compound treatment 0.477 0.242 11.92 0.267 0.0163 0.84 9.0256 0.7551 1920121 ChemDiv1_001037 COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc3ccccc3)NS(=O)(=O)c4ccc(C)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 P04 compound treatment 0.228 -0.00693 -0.34 0.256 0.00534 0.28 -0.0467 -0.1066 1717108 ChemDiv1_001038 CN1C(=C(C(NC1=O)c2ccc(Cl)c(Cl)c2)C(=O)OC3CCCCCC3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 P05 compound treatment 0.274 0.0391 1.92 0.317 0.0663 3.42 3.7759 0.9632 1637260 ChemDiv1_001039 Nc1nnc(s1)c2cc3ccccc3oc2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 P06 compound treatment 0.239 0.00407 0.2 0.271 0.0203 1.05 0.8824 0.8275 1626109 ChemDiv1_001040 Clc1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 P07 compound treatment 0.216 -0.0189 -0.93 0.248 -0.00266 -0.14 -0.7559 -0.8022 1970801 ChemDiv1_001041 [O-][N+](=O)c1ccc(cc1)c2nnc(o2)c3cc4cc(Cl)ccc4oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 P08 compound treatment 0.219 -0.0159 -0.78 0.253 0.00234 0.12 -0.4694 -0.5913 1355305 ChemDiv1_001042 COc1cc(ccc1OCC(=O)O)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 P09 compound treatment 0.234 -9.29E-4 -0.05 0.258 0.00734 0.38 0.235 0.6171 1970802 ChemDiv1_001043 CN1C(=C(C(NC1=O)c2cccc(c2)[N+](=O)[O-])C(=O)OCCOc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 P10 compound treatment 0.219 -0.0159 -0.78 0.242 -0.00866 -0.45 -0.8698 -0.9641 1368417 ChemDiv1_001044 Fc1ccccc1Nc2nnc(s2)c3cc4cc(Cl)cc(Cl)c4oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 P11 compound treatment 0.24 0.00507 0.25 0.26 0.00934 0.48 0.5168 0.9534 1237400 ChemDiv1_001045 COc1cc(cc(Cl)c1O)C2NC(=O)N(C)C(=C2C(=O)OC3CCCCCC3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 P12 compound treatment 0.262 0.0271 1.33 0.264 0.0133 0.69 1.4286 0.9524 1393581 ChemDiv1_001046 OC(=O)c1cc2C3C=CCC3CN4C(C5CC=CC5c(c1)c42)c6ccc(F)cc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 P13 compound treatment 0.28 0.0451 2.22 0.28 0.0293 1.51 2.6379 0.9824 1921045 ChemDiv1_001047 CNc1nc(Nc2ccc(cc2)C(=O)C)nc(OC(C(F)(F)F)C(F)(F)F)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 P14 compound treatment 0.242 0.00707 0.35 0.255 0.00434 0.22 0.4044 0.9771 1970803 ChemDiv1_001048 CCSCCOC(=O)C1=C(C)N(C)C(=O)NC1c2ccc(OCc3ccccc3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 P15 compound treatment 0.223 -0.0119 -0.59 0.248 -0.00266 -0.14 -0.5121 -0.8489 1558967 ChemDiv1_001049 COc1cc(ccc1O)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 P16 compound treatment 0.223 -0.0119 -0.59 0.256 0.00534 0.28 -0.2209 -0.3405 1970804 ChemDiv1_001050 CCOC(=O)C1=C(C)OC(=C(C#N)C1c2ccc(Cl)cc2)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 P17 compound treatment 0.228 -0.00693 -0.34 0.255 0.00434 0.22 -0.0831 -0.2038 1970805 ChemDiv1_001051 [O-][N+](=O)c1ncn(CC(=O)Nc2ccc(cc2Cl)[N+](=O)[O-])n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 P18 compound treatment 0.237 0.00207 0.1 0.245 -0.00566 -0.29 -0.1337 -0.4335 1970806 ChemDiv1_001052 C/C(=C/Cn1c(SCc2cccc(Br)c2)nc3n(C)c(=O)[nH]c(=O)c13)/Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 P19 compound treatment 0.205 -0.0299 -1.47 0.245 -0.00566 -0.29 -1.2482 -0.8307 1928439 ChemDiv1_001053 CC(C)(C)NC(=O)c1nn2c(cc(nc2c1Br)c3ccccc3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 P20 compound treatment 0.199 -0.0359 -1.77 0.245 -0.00566 -0.29 -1.4571 -0.8125 1450942 ChemDiv1_001054 O=C(CSc1nc(ccc1C#N)c2cccs2)c3cc4ccccc4oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 P21 compound treatment 0.202 -0.0329 -1.62 0.246 -0.00466 -0.24 -1.3163 -0.8029 1970807 ChemDiv1_001055 CC(C)CNC(=O)c1nn2c(cc(nc2c1Br)c3cccs3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 P22 compound treatment 0.225 -0.00993 -0.49 0.253 0.00234 0.12 -0.2604 -0.517 1493165 ChemDiv1_001056 Clc1cccc(c1)C2SCCN2C(=O)c3cc4cc(Br)ccc4oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 P23 mock treatment 0.184 -0.0509 -2.51 0.245 -0.00566 -0.29 -1.9795 -0.7839 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.589 P24 mock treatment 0.184 -0.0509 -2.51 0.207 -0.0437 -2.25 -3.3628 -0.9985 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 A01 compound treatment 0.187 -0.0649 -3.19 0.184 -0.0634 -3.27 -4.5688 -0.9999 1948396 ChemDiv1_001057 COc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3cccc4ccccc34)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 A02 compound treatment 0.206 -0.0459 -2.26 0.203 -0.0444 -2.29 -3.2154 -1.0 1209355 ChemDiv1_001058 COc1cccc(c1)C(=O)Nc2nnc(CCS(=O)(=O)c3ccc4ccccc4c3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 A03 compound treatment 0.232 -0.0199 -0.98 0.226 -0.0214 -1.1 -1.4727 -0.9982 1970808 ChemDiv1_001059 CCN(CC)CCCNC(=O)c1nn2c(cc(nc2c1Br)c3cccs3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 A04 compound treatment 0.219 -0.0329 -1.62 0.211 -0.0364 -1.88 -2.4715 -0.9973 1970809 ChemDiv1_001060 Brc1ccc(cc1)C2C3CC=CC3c4c5N2CC6CC=CC6c5cc7ccccc47 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 A05 compound treatment 0.213 -0.0389 -1.91 0.206 -0.0414 -2.13 -2.8624 -0.9985 1252626 ChemDiv1_001061 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)cc3)c(=O)n2C1c4ccc(OC(=O)C)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 A06 compound treatment 0.218 -0.0339 -1.67 0.215 -0.0324 -1.67 -2.3607 -1.0 1202798 ChemDiv1_001062 Cc1ccc(C)c2C3C=CCC3C(Nc12)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 A07 compound treatment 0.215 -0.0369 -1.82 0.214 -0.0334 -1.72 -2.5016 -0.9996 1688628 ChemDiv1_001063 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)c(OC)c3)c(=O)n2C1c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 A08 compound treatment 0.224 -0.0279 -1.37 0.216 -0.0314 -1.62 -2.1153 -0.9966 1168750 ChemDiv1_001064 Clc1cccc(C2Nc3ccc4ccccc4c3C5C=CCC52)c1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 A09 compound treatment 0.234 -0.0179 -0.88 0.225 -0.0224 -1.16 -1.4394 -0.991 1970810 ChemDiv1_001065 CCOc1ccccc1C2NC(=O)N(C)C(=C2C(=O)OCCOc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 A10 compound treatment 0.215 -0.0369 -1.82 0.223 -0.0244 -1.26 -2.1739 -0.984 1514128 ChemDiv1_001066 CCOC(=O)C1=C(NC(=O)NC1c2ccc(Br)cc2)c3ccc(OC)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 A11 compound treatment 0.22 -0.0319 -1.57 0.208 -0.0394 -2.03 -2.5458 -0.9919 1659366 ChemDiv1_001067 CCOc1cccc2cc(C(=O)N)c(=Nc3sc4CCCCc4c3C#N)oc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 A12 compound treatment 0.235 -0.0169 -0.83 0.229 -0.0184 -0.95 -1.259 -0.9978 1970811 ChemDiv1_001068 CN(C)c1ccc(/C=C/2\SC(=S)N(Nc3nc(C)cc(C)n3)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 A13 compound treatment 0.212 -0.0399 -1.96 0.228 -0.0194 -1.0 -2.0964 -0.9511 1120048 ChemDiv1_001069 CCSc1nnc-2c(OC(Nc3ccccc32)c4ccc(cc4)N(CC)CC)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 A14 compound treatment 0.198 -0.0539 -2.65 0.205 -0.0424 -2.19 -3.4212 -0.9954 1970812 ChemDiv1_001070 Clc1ccccc1/C=C/2\SC(=S)N(CCC(=O)Nc3ncc(Cc4ccccc4)s3)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 A15 compound treatment 0.229 -0.0229 -1.13 0.225 -0.0224 -1.16 -1.6135 -0.9999 1235965 ChemDiv1_001071 CCOc1cc(ccc1O)C2Nc3ccccc3-c4nnc(SCC)nc4O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 A16 compound treatment 0.232 -0.0199 -0.98 0.223 -0.0244 -1.26 -1.5819 -0.9923 1581027 ChemDiv1_001072 Fc1ccc(NC(=O)C2COc3ccccc3O2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 A17 compound treatment 0.216 -0.0359 -1.77 0.216 -0.0314 -1.62 -2.3939 -0.9991 1970813 ChemDiv1_001073 COc1cc(OC)cc(/C=C\2/S/C(=N\c3ccccc3Cl)/NC2=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 A18 compound treatment 0.211 -0.0409 -2.01 0.212 -0.0354 -1.82 -2.7137 -0.9988 1282679 ChemDiv1_001074 Cc1cccc(NC(=O)C2COc3ccccc3O2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 A19 compound treatment 0.207 -0.0449 -2.21 0.217 -0.0304 -1.57 -2.671 -0.9858 1970814 ChemDiv1_001075 CC(=O)OC(OC(=O)C)C1(OC2C=C1)C3C2C(=O)N(C3=O)c4ccc(Br)cc4[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 A20 compound treatment 0.201 -0.0509 -2.51 0.212 -0.0354 -1.82 -3.0619 -0.9879 1276775 ChemDiv1_001076 Cc1c(Cl)cccc1NC(=O)C2COc3ccccc3O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 A21 compound treatment 0.2 -0.0519 -2.55 0.205 -0.0424 -2.19 -3.3516 -0.997 1473578 ChemDiv1_001077 Cc1ccc(cc1)S(=O)(=O)CCc2nnc(NC(=O)c3ccc(Br)cc3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 A22 compound treatment 0.21 -0.0419 -2.06 0.21 -0.0374 -1.93 -2.8213 -0.9994 1596723 ChemDiv1_001078 CCOC(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 A23 mock treatment 0.211 -0.0409 -2.01 0.204 -0.0434 -2.24 -3.0049 -0.9986 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 A24 mock treatment 0.178 -0.0739 -3.64 0.18 -0.0674 -3.47 -5.0278 -0.9997 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 B01 compound treatment 0.229 -0.0229 -1.13 0.231 -0.0164 -0.85 -1.3951 -0.9901 1970815 ChemDiv1_001079 [O-][N+](=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 B02 compound treatment 0.243 -0.00887 -0.44 0.257 0.00955 0.49 0.0389 0.0592 1970816 ChemDiv1_001080 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2C1c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 B03 compound treatment 0.255 0.00313 0.15 0.254 0.00655 0.34 0.3476 0.9372 1970817 ChemDiv1_001081 O=C(CN1C(=O)/C(=C/c2ccccc2)/SC1=S)Nc3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 B04 compound treatment 0.258 0.00613 0.3 0.258 0.0106 0.54 0.5977 0.9616 1118108 ChemDiv1_001082 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(Br)c3)c(=O)n2C1c4ccc5OCOc5c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 B05 compound treatment 0.262 0.0101 0.5 0.259 0.0116 0.59 0.7734 0.9962 1970818 ChemDiv1_001083 NC(=O)c1c(NC(=O)CN2C(=O)/C(=C/c3ccc(Cl)cc3Cl)/SC2=S)sc4CCCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 B06 compound treatment 0.339 0.0871 4.29 0.332 0.0846 4.35 6.1125 1.0 1433187 ChemDiv1_001084 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(o3)c4cccc(c4)C(=O)O)c(=O)n2C1c5ccc6OCOc6c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 B07 compound treatment 0.263 0.0111 0.55 0.262 0.0146 0.75 0.9175 0.9882 1970819 ChemDiv1_001085 Cc1ccc(NC(=O)CN2C(=O)/C(=C/c3ccccc3)/SC2=S)cc1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 B08 compound treatment 0.274 0.0221 1.09 0.271 0.0236 1.21 1.6282 0.9986 1617100 ChemDiv1_001086 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OC)c3)c(=O)n2C1c4ccc(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 B09 compound treatment 0.277 0.0251 1.24 0.274 0.0266 1.37 1.8419 0.9988 1970820 ChemDiv1_001087 COC(=O)c1ccc(N/C=C/2\N=C(OC2=O)c3ccccc3Br)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 B10 compound treatment 0.255 0.00313 0.15 0.255 0.00755 0.39 0.384 0.9181 1970821 ChemDiv1_001088 [O-][N+](=O)c1cnc(NC(=O)CSc2nnc3c4ccccc4n(CC=C)c3n2)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 B11 compound treatment 0.263 0.0111 0.55 0.261 0.0136 0.7 0.8811 0.9929 1970822 ChemDiv1_001089 COc1cc(N/C=C\2/N=C(OC2=O)c3ccccc3Br)c(cc1OC)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 B12 compound treatment 0.257 0.00513 0.25 0.257 0.00955 0.49 0.5265 0.9522 1970823 ChemDiv1_001090 Cc1cc2nc3sc(=Cc4cc([N+](=O)[O-])c(cc4N5CCOCC5)N6CCOCC6)c(=O)n3c2cc1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 B13 compound treatment 0.273 0.0211 1.04 0.27 0.0226 1.16 1.5569 0.9985 1970824 ChemDiv1_001091 CCCCOC(=O)c1cc(ccc1Cl)c2ccc(/C=C/3\NC(=S)NC3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 B14 compound treatment 0.259 0.00713 0.35 0.257 0.00955 0.49 0.5961 0.9864 1931183 ChemDiv1_001092 CN1CCN(CC1)c2ccc(/C=C/3\Sc4ccccc4C3=O)cc2[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 B15 compound treatment 0.259 0.00713 0.35 0.257 0.00955 0.49 0.5961 0.9864 1970825 ChemDiv1_001093 OCCn1c(SCCSc2nc3ccccc3n2CCO)nc4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 B16 compound treatment 0.264 0.0121 0.6 0.264 0.0166 0.85 1.0251 0.9849 1939042 ChemDiv1_001094 [O-][N+](=O)c1ccc2NC(=O)/C(=C/3\S/C(=N\c4ccccc4)/N(C3=O)c5ccccc5)/c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 B17 compound treatment 0.269 0.0171 0.84 0.266 0.0186 0.96 1.272 0.9981 1573848 ChemDiv1_001095 CCOc1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 B18 compound treatment 0.259 0.00713 0.35 0.259 0.0116 0.59 0.6689 0.9685 1970826 ChemDiv1_001096 CCCSc1nnc-2c(OC(Nc3ccccc32)c4ccc(OCC=C)cc4)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 B19 compound treatment 0.339 0.0871 4.29 0.338 0.0906 4.66 6.3309 0.9991 1970827 ChemDiv1_001097 [O-][N+](=O)c1ccc(cc1Sc2nc3ccccc3[nH]2)N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 B20 compound treatment 0.255 0.00313 0.15 0.256 0.00855 0.44 0.4204 0.9012 1442249 ChemDiv1_001098 Clc1ccc2oc(=O)c(cc2c1)c3nnc(o3)c4cccc(Br)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 B21 compound treatment 0.261 0.00913 0.45 0.261 0.0136 0.7 0.8114 0.9775 1970828 ChemDiv1_001099 Oc1c(Br)cc(cc1/C=C/2\SC(=S)N(C2=O)c3ccc(cc3)[N+](=O)[O-])[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 B22 compound treatment 0.265 0.0131 0.65 0.253 0.00555 0.29 0.6595 0.9326 1414789 ChemDiv1_001100 COc1cccc(NC(=O)c2cc(nc3ccccc23)c4cccs4)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 B23 mock treatment 0.271 0.0191 0.94 0.26 0.0126 0.65 1.1233 0.9831 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 B24 mock treatment 0.245 -0.00687 -0.34 0.242 -0.00545 -0.28 -0.4375 -0.9957 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 C01 compound treatment 0.213 -0.0389 -1.91 0.221 -0.0264 -1.36 -2.3164 -0.9861 1970829 ChemDiv1_001101 Cc1ccc(CC2S/C(=N/c3ccccn3)/NC2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 C02 compound treatment 0.246 -0.00587 -0.29 0.245 -0.00245 -0.13 -0.2934 -0.9308 1537526 ChemDiv1_001102 Cc1c(NC(=O)c2cc3cccc(CC=C)c3oc2=O)c(=O)n(c4ccccc4)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 C03 compound treatment 0.245 -0.00687 -0.34 0.245 -0.00245 -0.13 -0.3283 -0.9095 1939498 ChemDiv1_001103 COc1cc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccco4)cc(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 C04 compound treatment 0.252 1.33E-4 0.01 0.249 0.00155 0.08 0.0611 0.7627 1777382 ChemDiv1_001104 OC(=O)c1cc2C3C=CCC3CN4C(C5CC=CC5c(c1)c42)c6ccc(Br)cc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 C05 compound treatment 0.243 -0.00887 -0.44 0.241 -0.00645 -0.33 -0.5435 -0.9908 1780895 ChemDiv1_001105 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC)c4ccccc34)c(=O)n2C1/C=C/c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 C06 compound treatment 0.247 -0.00487 -0.24 0.245 -0.00245 -0.13 -0.2586 -0.955 1233316 ChemDiv1_001106 COc1cccc2C3C=CCC3C(Nc12)c4cccc(Cl)c4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 C07 compound treatment 0.245 -0.00687 -0.34 0.244 -0.00345 -0.18 -0.3647 -0.9547 1412387 ChemDiv1_001107 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)c(OCC)c3)c(=O)n2C1c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 C08 compound treatment 0.265 0.0131 0.65 0.264 0.0166 0.85 1.0599 0.9908 1970830 ChemDiv1_001108 Clc1cccc(C2C3CC=CC3c4c5N2CC6CC=CC6c5cc7ccccc47)c1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 C09 compound treatment 0.249 -0.00287 -0.14 0.249 0.00155 0.08 -0.0434 -0.2672 1625251 ChemDiv1_001109 COc1ccc(NC(=O)c2cc3cc(Br)ccc3oc2=O)c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 C10 compound treatment 0.27 0.0181 0.89 0.27 0.0226 1.16 1.4525 0.9916 1970831 ChemDiv1_001110 CCSCCOC(=O)C1=C(C)N(C)C(=O)NC1c2cc3OCOc3cc2[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 C11 compound treatment 0.254 0.00213 0.11 0.254 0.00655 0.34 0.3128 0.8854 1970832 ChemDiv1_001111 CCCCCCc1cc2cc(c3csc(Nc4ccc(Cl)cc4Cl)n3)c(=O)oc2cc1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 C12 compound treatment 0.262 0.0101 0.5 0.263 0.0156 0.8 0.919 0.9741 1938227 ChemDiv1_001112 Clc1ccccc1c2nc3sc4CCCc4c3c(=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 C13 compound treatment 0.251 -8.67E-4 -0.04 0.25 0.00255 0.13 0.0627 0.454 1256169 ChemDiv1_001113 CCOc1ccc2ccccc2c1C3Nc4ccccc4-c5nnc(SCC)nc5O3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 C14 compound treatment 0.247 -0.00487 -0.24 0.244 -0.00345 -0.18 -0.295 -0.9891 1970833 ChemDiv1_001114 Brc1ccc(/C=C/2\SC(=S)N(CCCC(=O)Nc3nccs3)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 C15 compound treatment 0.252 1.33E-4 0.01 0.246 -0.00145 -0.07 -0.0481 -0.6423 1652185 ChemDiv1_001115 CCSc1nnc-2c(OC(Nc3ccccc32)c4ccc(OCC=C)cc4)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 C16 compound treatment 0.276 0.0241 1.19 0.263 0.0156 0.8 1.4066 0.9815 1463406 ChemDiv1_001116 COc1cc(NC(=O)C2COc3ccccc3O2)c(OC)cc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 C17 compound treatment 0.254 0.00213 0.11 0.255 0.00755 0.39 0.3492 0.8671 1940118 ChemDiv1_001117 FC(F)(F)c1cccc(/C=C\2/S/C(=N\c3ccccc3)/NC2=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 C18 compound treatment 0.252 1.33E-4 0.01 0.249 0.00155 0.08 0.0611 0.7627 1296015 ChemDiv1_001118 Cc1ccc(NC(=O)C2COc3ccccc3O2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 C19 compound treatment 0.249 -0.00287 -0.14 0.245 -0.00245 -0.13 -0.189 -0.9984 1392674 ChemDiv1_001119 Brc1ccc(cc1)S(=O)(=O)CCc2nnc(NC(=O)c3ccccc3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 C20 compound treatment 0.247 -0.00487 -0.24 0.246 -0.00145 -0.07 -0.2222 -0.8852 1227491 ChemDiv1_001120 COc1ccccc1NC(=O)C2COc3ccccc3O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 C21 compound treatment 0.243 -0.00887 -0.44 0.242 -0.00545 -0.28 -0.5071 -0.9771 1276436 ChemDiv1_001121 Clc1ccc(cc1)S(=O)(=O)CCc2nnc(NC(=O)c3ccc(Br)cc3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 C22 compound treatment 0.246 -0.00587 -0.29 0.245 -0.00245 -0.13 -0.2934 -0.9308 1242198 ChemDiv1_001122 CCOC(=O)c1ccccc1NC(=O)C2COc3ccccc3O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 C23 mock treatment 0.242 -0.00987 -0.49 0.243 -0.00445 -0.23 -0.5056 -0.9411 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 C24 mock treatment 0.239 -0.0129 -0.63 0.223 -0.0244 -1.26 -1.3381 -0.9496 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 D01 compound treatment 0.249 -0.00287 -0.14 0.244 -0.00345 -0.18 -0.2254 -0.9936 1521611 ChemDiv1_001123 O=C(Nc1ccccc1)C2COc3ccccc3O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 D02 compound treatment 0.254 0.00213 0.11 0.255 0.00755 0.39 0.3492 0.8671 1698978 ChemDiv1_001124 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3O)c(=O)n2C1c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 D03 compound treatment 0.275 0.0231 1.14 0.275 0.0276 1.42 1.8086 0.9941 1970834 ChemDiv1_001125 COc1ccc(/C=C\2/SC(=O)N(CC(=O)NN3CCN(C)CC3)C2=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 D04 compound treatment 0.254 0.00213 0.11 0.252 0.00455 0.23 0.24 0.9345 1655147 ChemDiv1_001126 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)cc3)c(=O)n2C1c4ccc5OCOc5c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 D05 compound treatment 0.262 0.0101 0.5 0.261 0.0136 0.7 0.8462 0.9865 1970835 ChemDiv1_001127 Oc1ccc(cc1NC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)/SC2=S)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 D06 compound treatment 0.277 0.0251 1.24 0.284 0.0366 1.88 2.2059 0.9794 1379606 ChemDiv1_001128 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3O)c(=O)n2C1c4ccc5OCOc5c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 D07 compound treatment 0.311 0.0591 2.91 0.302 0.0546 2.81 4.0453 0.9998 1970836 ChemDiv1_001129 Fc1ccc(NC(=O)CN2C(=O)/C(=C\c3ccccc3)/SC2=S)cc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 D08 compound treatment 0.272 0.0201 0.99 0.271 0.0236 1.21 1.5585 0.995 1707411 ChemDiv1_001130 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3OC)c(=O)n2C1c4ccc(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 D09 compound treatment 0.365 0.113 5.57 0.345 0.0976 5.02 7.4912 0.9987 1970837 ChemDiv1_001131 CC(=O)Nc1ccc(N/C=C/2\N=C(OC2=O)c3ccccc3Br)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 D10 compound treatment 0.25 -0.00187 -0.09 0.249 0.00155 0.08 -0.0085 -0.07 1495379 ChemDiv1_001132 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4cn(Cc5ccc(Cl)cc5Cl)nc4c6ccccc6)C(=O)CC(C)(C)C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 D11 compound treatment 0.298 0.0461 2.27 0.29 0.0426 2.19 3.1557 0.9998 1774970 ChemDiv1_001133 [O-][N+](=O)c1ccc2C(=O)N(NC(=O)COc3ccc(Cl)cc3Cl)C(=O)c4cccc1c42 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 D12 compound treatment 0.257 0.00513 0.25 0.255 0.00755 0.39 0.4537 0.9783 1970838 ChemDiv1_001134 Cc1cc2nc3sc(=Cc4cc([N+](=O)[O-])c(cc4N5CCCCC5)N6CCCCC6)c(=O)n3c2cc1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 D13 compound treatment 0.354 0.102 5.03 0.357 0.11 5.64 7.5449 0.9984 1970839 ChemDiv1_001135 COc1cc(/C=C/2\C(=NN(C2=O)c3cccc(Br)c3)C)ccc1OC(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 D14 compound treatment 0.28 0.0281 1.39 0.277 0.0296 1.52 2.0556 0.9989 1187025 ChemDiv1_001136 CN(C)c1nc2nonc2nc1Nc3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 D15 compound treatment 0.273 0.0211 1.04 0.269 0.0216 1.11 1.5205 0.9995 1970840 ChemDiv1_001137 Brc1ccccc1C(=O)Oc2ccc(NC3=NS(=O)(=O)c4ccccc34)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 D16 compound treatment 0.272 0.0201 0.99 0.269 0.0216 1.11 1.4857 0.9984 1271371 ChemDiv1_001138 CCCSc1nnc-2c(OC(Nc3ccccc32)c4ccco4)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 D17 compound treatment 0.267 0.0151 0.75 0.266 0.0186 0.96 1.2024 0.9925 1628560 ChemDiv1_001139 COc1cc(cc(Br)c1O)C2NC(=O)N(C)C(=C2C(=O)OCC=C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 D18 compound treatment 0.262 0.0101 0.5 0.263 0.0156 0.8 0.919 0.9741 1691096 ChemDiv1_001140 CCCSc1nnc-2c(OC(Nc3ccccc32)c4ccccc4OCC(=O)OCC)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 D19 compound treatment 0.265 0.0131 0.65 0.26 0.0126 0.65 0.9143 1.0 1970841 ChemDiv1_001141 Cc1cc(ccc1[N+](=O)[O-])C(=O)Nc2ccc(O)c(c2)c3nc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 D20 compound treatment 0.256 0.00413 0.2 0.254 0.00655 0.34 0.3825 0.9708 1643666 ChemDiv1_001142 CCOc1ccc2cc(c3nnc(o3)c4cccc(Br)c4)c(=O)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 D21 compound treatment 0.253 0.00113 0.06 0.253 0.00555 0.29 0.2416 0.8295 1359885 ChemDiv1_001143 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc4OCOc4cc3Br)c(=O)n2C1c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 D22 compound treatment 0.254 0.00213 0.11 0.252 0.00455 0.23 0.24 0.9345 1923727 ChemDiv1_001144 COc1ccc(cc1OC)C2CC(=NN2C(=O)c3ccccc3)c4ccc(cc4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 D23 mock treatment 0.254 0.00213 0.11 0.254 0.00655 0.34 0.3128 0.8854 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 D24 mock treatment 0.244 -0.00787 -0.39 0.243 -0.00445 -0.23 -0.4359 -0.9685 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 E01 compound treatment 0.26 0.00813 0.4 0.256 0.00855 0.44 0.5946 0.9989 1970842 ChemDiv1_001145 FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)N3CCOCC3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 E02 compound treatment 0.256 0.00413 0.2 0.253 0.00555 0.29 0.346 0.9862 1942813 ChemDiv1_001146 COc1ccc(cc1)C2=NN(CN3C(=O)C(=O)c4ccccc34)C(C2)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 E03 compound treatment 0.256 0.00413 0.2 0.255 0.00755 0.39 0.4189 0.9544 1134342 ChemDiv1_001147 Cc1c(NC(=O)c2cc3nc(cc(C)n3n2)c4ccccc4)c(=O)n(c5ccccc5)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 E04 compound treatment 0.274 0.0221 1.09 0.269 0.0216 1.11 1.5554 1.0 1777383 ChemDiv1_001148 OC(=O)c1cc2C3C=CCC3CN4C(C5CC=CC5c(c1)c42)c6cccc(c6)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 E05 compound treatment 0.255 0.00313 0.15 0.255 0.00755 0.39 0.384 0.9181 1780896 ChemDiv1_001149 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(OC(=O)C)c4ccccc34)c(=O)n2C1/C=C/c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 E06 compound treatment 0.278 0.0261 1.29 0.272 0.0246 1.26 1.8039 1.0 1633635 ChemDiv1_001150 Clc1cccc(C2Nc3c(C#N)cccc3C4C=CCC42)c1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 E07 compound treatment 0.27 0.0181 0.89 0.271 0.0236 1.21 1.4889 0.9887 1476435 ChemDiv1_001151 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)c4ccco4)cc3)c(=O)n2C1c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 E08 compound treatment 0.292 0.0401 1.98 0.295 0.0476 2.45 3.1287 0.9944 1540578 ChemDiv1_001152 OC(=O)c1cccc2C3C=CCC3C(Nc12)c4cccc5ccccc45 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 E09 compound treatment 0.264 0.0121 0.6 0.261 0.0136 0.7 0.9159 0.997 1690896 ChemDiv1_001153 CCOC(=O)c1c(N=c2oc3ccccc3cc2C(=O)N)sc4CCCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 E10 compound treatment 0.262 0.0101 0.5 0.259 0.0116 0.59 0.7734 0.9962 1412658 ChemDiv1_001154 CCOC(=O)C1=C(C)OC(=C(C#N)C1c2ccccc2)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 E11 compound treatment 0.26 0.00813 0.4 0.259 0.0116 0.59 0.7038 0.9815 1509101 ChemDiv1_001155 CSc1nnc-2c(OC(Nc3ccccc32)c4c(Cl)cccc4Cl)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 E12 compound treatment 0.271 0.0191 0.94 0.27 0.0226 1.16 1.4873 0.9946 1207058 ChemDiv1_001156 O=c1oc(nc2sc3CCCc3c12)c4ccco4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 E13 compound treatment 0.352 0.1 4.93 0.339 0.0916 4.71 6.82 0.9997 1970843 ChemDiv1_001157 CCSc1nnc-2c(OC(Nc3ccccc32)c4cc5OCOc5cc4[N+](=O)[O-])n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 E14 compound treatment 0.258 0.00613 0.3 0.257 0.00955 0.49 0.5613 0.9726 1970844 ChemDiv1_001158 Brc1ccc(/C=C/2\SC(=S)N(CCCCCC(=O)Nc3nccs3)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 E15 compound treatment 0.286 0.0341 1.68 0.284 0.0366 1.88 2.5193 0.9984 1208549 ChemDiv1_001159 CCSc1nnc-2c(OC(Nc3ccccc32)c4c(OC)ccc5ccccc45)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 E16 compound treatment 0.252 1.33E-4 0.01 0.256 0.00855 0.44 0.3159 0.7176 1495861 ChemDiv1_001160 COc1cccc(NC(=O)C2COc3ccccc3O2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 E17 compound treatment 0.264 0.0121 0.6 0.263 0.0156 0.8 0.9887 0.9896 1934889 ChemDiv1_001161 COc1ccccc1N2C(=O)C3C4OC(C=C4)C3C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 E18 compound treatment 0.265 0.0131 0.65 0.263 0.0156 0.8 1.0235 0.9944 1469668 ChemDiv1_001162 Cc1ccc(NC(=O)C2COc3ccccc3O2)c(C)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 E19 compound treatment 0.264 0.0121 0.6 0.26 0.0126 0.65 0.8795 0.9992 1691408 ChemDiv1_001163 Cc1ccc(cc1)C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Br)cc3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 E20 compound treatment 0.257 0.00513 0.25 0.253 0.00555 0.29 0.3809 0.9981 1645986 ChemDiv1_001164 COc1ccc(NC(=O)C2COc3ccccc3O2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 E21 compound treatment 0.256 0.00413 0.2 0.254 0.00655 0.34 0.3825 0.9708 1779343 ChemDiv1_001165 [O-][N+](=O)c1ccc(cc1)C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Br)cc3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 E22 compound treatment 0.253 0.00113 0.06 0.254 0.00655 0.34 0.278 0.8131 1970845 ChemDiv1_001166 CCCCOC(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 E23 mock treatment 0.253 0.00113 0.06 0.252 0.00455 0.23 0.2052 0.8517 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 E24 mock treatment 0.253 0.00113 0.06 0.244 -0.00345 -0.18 -0.0861 -0.4624 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 F01 compound treatment 0.257 0.00513 0.25 0.252 0.00455 0.23 0.3445 0.9993 1926836 ChemDiv1_001167 COc1ccc(/C=C/2\SC(=S)N(CC(=O)Nc3ncc(Cc4ccc(C)cc4)s3)C2=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 F02 compound treatment 0.295 0.0431 2.12 0.294 0.0466 2.4 3.1968 0.9982 1735799 ChemDiv1_001168 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(Br)c3)c(=O)n2C1c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 F03 compound treatment 0.273 0.0211 1.04 0.277 0.0296 1.52 1.8118 0.9829 1926315 ChemDiv1_001169 COc1ccc(/C=C\2/SC(=O)N(CC(=O)Nc3cc(C)on3)C2=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 F04 compound treatment 0.266 0.0141 0.7 0.267 0.0196 1.01 1.204 0.9838 1241778 ChemDiv1_001170 CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(Br)c3)c(=O)n2C1c4ccc5OCOc5c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 F05 compound treatment 0.3 0.0481 2.37 0.314 0.0666 3.43 4.099 0.9838 1970846 ChemDiv1_001171 Oc1ccc(cc1NC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3Cl)/SC2=S)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 F06 compound treatment 0.33 0.0781 3.85 0.32 0.0726 3.74 5.3622 0.9999 1332416 ChemDiv1_001172 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(Br)c3)c(=O)n2C1c4ccc5OCOc5c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 F07 compound treatment 0.267 0.0151 0.75 0.268 0.0206 1.06 1.2752 0.9853 1542438 ChemDiv1_001173 CCOC(=O)c1c(C)c(sc1NC(=O)c2cc3ccccc3oc2=O)C(=O)CC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 F08 compound treatment 0.335 0.0831 4.09 0.341 0.0936 4.82 6.3008 0.9967 1325924 ChemDiv1_001174 CCOC(=O)C1=C(C)N=c2sc(=Cc3c[nH]c4ccccc34)c(=O)n2C1c5ccc(OC)c(OC)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 F09 compound treatment 0.339 0.0871 4.29 0.331 0.0836 4.3 6.0761 1.0 1970847 ChemDiv1_001175 OC(=O)c1ccc(Cl)cc1N/C=C/2\N=C(OC2=O)c3ccccc3Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 F10 compound treatment 0.266 0.0141 0.7 0.264 0.0166 0.85 1.0947 0.995 1780848 ChemDiv1_001176 COc1ccc(c2ccc(C=c3sc4nc5cc(C)c(C)cc5n4c3=O)o2)c(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 F11 compound treatment 0.285 0.0331 1.63 0.272 0.0246 1.26 2.0477 0.992 1970848 ChemDiv1_001177 Clc1ccc2nc(cn2c1)c3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 F12 compound treatment 0.261 0.00913 0.45 0.261 0.0136 0.7 0.8114 0.9775 1939701 ChemDiv1_001178 Cc1cc2nc3sc(=Cc4ccc(N5CCOCC5)c(c4)[N+](=O)[O-])c(=O)n3c2cc1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 F13 compound treatment 0.283 0.0311 1.53 0.28 0.0326 1.68 2.2692 0.999 1970849 ChemDiv1_001179 COc1cc(ccc1c2ccc(/C=C\3/C(=NN(C3=O)c4cccc(Br)c4)C)o2)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 F14 compound treatment 0.291 0.0391 1.93 0.296 0.0486 2.5 3.1303 0.9918 1776306 ChemDiv1_001180 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccc(o4)c5ccccc5[N+](=O)[O-])C(=O)CC(C)(C)C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 F15 compound treatment 0.289 0.0371 1.83 0.286 0.0386 1.98 2.6966 0.9992 1970850 ChemDiv1_001181 CN(C1=NS(=O)(=O)c2ccccc12)c3ccc(OC(=O)c4ccc(cc4)[N+](=O)[O-])cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 F16 compound treatment 0.27 0.0181 0.89 0.266 0.0186 0.96 1.3069 0.9994 1529254 ChemDiv1_001182 CCCSc1nnc-2c(OC(Nc3ccccc32)c4cccs4)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 F17 compound treatment 0.267 0.0151 0.75 0.265 0.0176 0.9 1.166 0.9954 1970851 ChemDiv1_001183 CCCCCOC(=O)C1=C(C)N(C)C(=O)NC1c2cc3OCOc3cc2Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 F18 compound treatment 0.265 0.0131 0.65 0.264 0.0166 0.85 1.0599 0.9908 1362163 ChemDiv1_001184 CCCSc1nnc-2c(OC(Nc3ccccc32)c4c(OC)ccc5ccccc45)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 F19 compound treatment 0.285 0.0331 1.63 0.284 0.0366 1.88 2.4845 0.9975 1200485 ChemDiv1_001185 Oc1cc(NC(=O)c2ccccc2F)ccc1c3nc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 F20 compound treatment 0.259 0.00713 0.35 0.26 0.0126 0.65 0.7053 0.959 1316594 ChemDiv1_001186 CCOc1ccc2cc(c3nnc(o3)c4cccc(OC)c4)c(=O)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 F21 compound treatment 0.264 0.0121 0.6 0.265 0.0176 0.9 1.0615 0.9799 1336439 ChemDiv1_001187 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(OC)c3)c(=O)n2C1c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 F22 compound treatment 0.276 0.0241 1.19 0.274 0.0266 1.37 1.807 0.9976 1970852 ChemDiv1_001188 Cc1nc2ccc(NC(=O)c3cccc(Br)c3)cc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 F23 mock treatment 0.262 0.0101 0.5 0.258 0.0106 0.54 0.737 0.9991 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 F24 mock treatment 0.257 0.00513 0.25 0.248 5.52E-4 0.03 0.1989 0.7816 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 G01 compound treatment 0.245 -0.00687 -0.34 0.243 -0.00445 -0.23 -0.4011 -0.982 1970853 ChemDiv1_001189 CCOC(=O)c1sc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c(C(=O)OCC)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 G02 compound treatment 0.257 0.00513 0.25 0.252 0.00455 0.23 0.3445 0.9993 1942928 ChemDiv1_001190 COc1ccc(cc1)C2=NN(CN3C(=O)C(=O)c4cc(Br)ccc34)C(C2)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 G03 compound treatment 0.246 -0.00587 -0.29 0.245 -0.00245 -0.13 -0.2934 -0.9308 1778812 ChemDiv1_001191 [O-][N+](=O)c1ncn(CC(=O)Nc2ccc(F)c(Cl)c2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 G04 compound treatment 0.262 0.0101 0.5 0.262 0.0146 0.75 0.8826 0.9805 1970854 ChemDiv1_001192 [O-][N+](=O)c1cc2C3C=CCC3CN4C(C5CC=CC5c(c1)c42)c6ccccc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 G05 compound treatment 0.253 0.00113 0.06 0.254 0.00655 0.34 0.278 0.8131 1645363 ChemDiv1_001193 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC)c4ccccc34)c(=O)n2C1c5ccc(OC(=O)C)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 G06 compound treatment 0.291 0.0391 1.93 0.281 0.0336 1.73 2.5843 0.9985 1467192 ChemDiv1_001194 Fc1ccc(cc1)C2Nc3c(Cl)c(Cl)ccc3C4C=CCC42 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 G07 compound treatment 0.255 0.00313 0.15 0.258 0.0106 0.54 0.4932 0.8734 1970855 ChemDiv1_001195 Clc1ccc(cc1Cl)c2ccc(/C=C\3/SC(=S)N(C4CCS(=O)(=O)C4)C3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 G08 compound treatment 0.326 0.0741 3.65 0.318 0.0706 3.63 5.1501 1.0 1485469 ChemDiv1_001196 Clc1ccccc1C2Nc3ccc4ccccc4c3C5C=CCC52 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 G09 compound treatment 0.255 0.00313 0.15 0.253 0.00555 0.29 0.3112 0.9582 1441034 ChemDiv1_001197 CCOC(=O)c1c(N=c2oc3ccc(OC)cc3cc2C(=O)N)sc4CCCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 G10 compound treatment 0.265 0.0131 0.65 0.257 0.00955 0.49 0.8051 0.9908 1379721 ChemDiv1_001198 Cc1cc(C)n(n1)C(=O)CCN2C(=O)c3ccccc3C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 G11 compound treatment 0.261 0.00913 0.45 0.259 0.0116 0.59 0.7386 0.9905 1475377 ChemDiv1_001199 CCOC(=O)COc1ccccc1C2Nc3ccccc3-c4nnc(SC)nc4O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 G12 compound treatment 0.274 0.0221 1.09 0.274 0.0266 1.37 1.7374 0.9937 1970856 ChemDiv1_001200 O=c1oc(nc2sc3CCCc3c12)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 G13 compound treatment 0.303 0.0511 2.52 0.3 0.0526 2.71 3.6938 0.9994 1190792 ChemDiv1_001201 CCSc1nnc-2c(OC(Nc3ccccc32)c4ccc(OC)c(Br)c4)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 G14 compound treatment 0.266 0.0141 0.7 0.268 0.0206 1.06 1.2404 0.9794 1938755 ChemDiv1_001202 COc1ccc(/C=C/2\SC(=O)N(CC(=O)Nc3nccs3)C2=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 G15 compound treatment 0.306 0.0541 2.67 0.301 0.0536 2.76 3.8347 0.9999 1940074 ChemDiv1_001203 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C2c3c4ccccc4cc5ccccc35)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 G16 compound treatment 0.248 -0.00387 -0.19 0.249 0.00155 0.08 -0.0782 -0.3785 1947550 ChemDiv1_001204 FC(F)(F)c1ccccc1NC(=O)C2COc3ccccc3O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 G17 compound treatment 0.261 0.00913 0.45 0.262 0.0146 0.75 0.8478 0.9702 1158790 ChemDiv1_001205 CC1(OC2(C)C=C1)C3C2C(=O)N(C3=O)c4cccc5ccccc45 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 G18 compound treatment 0.257 0.00513 0.25 0.256 0.00855 0.44 0.4901 0.9653 1234702 ChemDiv1_001206 Cc1ccc(NC(=O)C2COc3ccccc3O2)cc1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 G19 compound treatment 0.269 0.0171 0.84 0.269 0.0216 1.11 1.3812 0.9909 1450539 ChemDiv1_001207 Brc1ccc(cc1)S(=O)(=O)CCc2nnc(NC(=O)C3CCCCC3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 G20 compound treatment 0.247 -0.00487 -0.24 0.25 0.00255 0.13 -0.0766 -0.2803 1646359 ChemDiv1_001208 CCOc1ccccc1NC(=O)C2COc3ccccc3O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 G21 compound treatment 0.252 1.33E-4 0.01 0.254 0.00655 0.34 0.2431 0.7207 1779342 ChemDiv1_001209 [O-][N+](=O)c1ccc(cc1)C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Cl)cc3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 G22 compound treatment 0.252 1.33E-4 0.01 0.25 0.00255 0.13 0.0975 0.7415 1647670 ChemDiv1_001210 Cc1cc(C)cc(NC(=O)C2COc3ccccc3O2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 G23 mock treatment 0.253 0.00113 0.06 0.253 0.00555 0.29 0.2416 0.8295 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 G24 mock treatment 0.25 -0.00187 -0.09 0.239 -0.00845 -0.43 -0.3725 -0.8381 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 H01 compound treatment 0.266 0.0141 0.7 0.262 0.0146 0.75 1.0219 0.9993 1970857 ChemDiv1_001211 CCOC(=O)c1c(NC(=O)CN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)/SC2=S)sc4CCCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 H02 compound treatment 0.353 0.101 4.98 0.341 0.0936 4.82 6.9277 0.9999 1355017 ChemDiv1_001212 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OCC)c3)c(=O)n2C1c4ccc(cc4)N(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 H03 compound treatment 0.324 0.0721 3.55 0.313 0.0656 3.37 4.8984 0.9997 1926410 ChemDiv1_001213 COc1ccc(/C=C\2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 H04 compound treatment 0.261 0.00913 0.45 0.259 0.0116 0.59 0.7386 0.9905 1158281 ChemDiv1_001214 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc4OCOc4cc3Br)c(=O)n2C1c5ccc6OCOc6c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 H05 compound treatment 0.263 0.0111 0.55 0.256 0.00855 0.44 0.699 0.9941 1970858 ChemDiv1_001215 Clc1ccc(/C=C/2\SC(=S)N(CCC(=O)Nc3cccnc3)C2=O)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 H06 compound treatment 0.283 0.0311 1.53 0.279 0.0316 1.62 2.2328 0.9996 1970859 ChemDiv1_001216 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(cc3)[N+](=O)[O-])c(=O)n2C1c4ccc(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 H07 compound treatment 0.279 0.0271 1.34 0.274 0.0266 1.37 1.9115 0.9999 1146480 ChemDiv1_001217 CCOC(=O)c1sc(NC(=O)C2COc3ccccc3O2)c(C(=O)OCC)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 H08 compound treatment 0.276 0.0241 1.19 0.272 0.0246 1.26 1.7342 0.9995 1665408 ChemDiv1_001218 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(OC)c3)c(=O)n2C1c4ccc(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 H09 compound treatment 0.26 0.00813 0.4 0.26 0.0126 0.65 0.7402 0.9736 1970860 ChemDiv1_001219 COc1ccc(N/C=C/2\N=C(OC2=O)c3ccccc3Br)c(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 H10 compound treatment 0.255 0.00313 0.15 0.255 0.00755 0.39 0.384 0.9181 1262121 ChemDiv1_001220 COc1cc(cc(OC)c1O)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 H11 compound treatment 0.274 0.0221 1.09 0.263 0.0156 0.8 1.337 0.9885 1970861 ChemDiv1_001221 CCOc1cc(/C=C/2\NC(=S)NC2=O)ccc1OCc3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 H12 compound treatment 0.257 0.00513 0.25 0.256 0.00855 0.44 0.4901 0.9653 1970862 ChemDiv1_001222 CC1CCN(CC1)c2ccc(C=c3sc4nc5ccccc5n4c3=O)cc2[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 H13 compound treatment 0.265 0.0131 0.65 0.261 0.0136 0.7 0.9507 0.9993 1970863 ChemDiv1_001223 CCOc1ccc(OCCSc2nc3ccccc3n2CCO)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 H14 compound treatment 0.252 1.33E-4 0.01 0.251 0.00355 0.18 0.1339 0.732 1672190 ChemDiv1_001224 CCOC(=O)COc1ccc(cc1OC)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 H15 compound treatment 0.254 0.00213 0.11 0.253 0.00555 0.29 0.2764 0.9077 1970864 ChemDiv1_001225 Brc1ccccc1C(=O)OCCCNC2=NS(=O)(=O)c3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 H16 compound treatment 0.276 0.0241 1.19 0.279 0.0316 1.62 1.9891 0.9882 1970865 ChemDiv1_001226 CCCSc1nnc-2c(OC(Nc3ccccc32)c4ccc(o4)[N+](=O)[O-])n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 H17 compound treatment 0.271 0.0191 0.94 0.269 0.0216 1.11 1.4509 0.9967 1410590 ChemDiv1_001227 CN1C(=C(C(NC1=O)c2cc3OCOc3cc2Br)C(=O)OC4CCCC4)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 H18 compound treatment 0.282 0.0301 1.48 0.289 0.0416 2.14 2.562 0.9841 1970866 ChemDiv1_001228 CCCSc1nnc-2c(OC(Nc3ccccc32)/C=C/c4ccc(o4)[N+](=O)[O-])n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 H19 compound treatment 0.269 0.0171 0.84 0.27 0.0226 1.16 1.4176 0.9877 1970867 ChemDiv1_001229 CCOc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccc3oc(nc3c2)c4ccccc4F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 H20 compound treatment 0.255 0.00313 0.15 0.254 0.00655 0.34 0.3476 0.9372 1454975 ChemDiv1_001230 CCOC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc4CC(C)CCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 H21 compound treatment 0.257 0.00513 0.25 0.256 0.00855 0.44 0.4901 0.9653 1670033 ChemDiv1_001231 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3O)c(=O)n2C1c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 H22 compound treatment 0.254 0.00213 0.11 0.255 0.00755 0.39 0.3492 0.8671 1970868 ChemDiv1_001232 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 H23 mock treatment 0.257 0.00513 0.25 0.255 0.00755 0.39 0.4537 0.9783 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 H24 mock treatment 0.257 0.00513 0.25 0.244 -0.00345 -0.18 0.0533 0.1724 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 I01 compound treatment 0.249 -0.00287 -0.14 0.243 -0.00445 -0.23 -0.2618 -0.973 1777482 ChemDiv1_001233 COc1ccc(NC(=O)Cn2cnc(n2)[N+](=O)[O-])c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 I02 compound treatment 0.29 0.0381 1.88 0.288 0.0406 2.09 2.8043 0.9986 1970869 ChemDiv1_001234 CC(=O)N1N=C(CC1c2ccc(Br)cc2)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 I03 compound treatment 0.256 0.00413 0.2 0.257 0.00955 0.49 0.4917 0.9238 1970870 ChemDiv1_001235 CC(=O)c1ccc(NC(=O)Cn2cnc(n2)[N+](=O)[O-])cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 I04 compound treatment 0.272 0.0201 0.99 0.267 0.0196 1.01 1.4129 1.0 1970871 ChemDiv1_001236 [O-][N+](=O)c1cc2C3C=CCC3CN4C(C5CC=CC5c(c1)c42)c6ccc(F)cc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 I05 compound treatment 0.279 0.0271 1.34 0.27 0.0226 1.16 1.7659 0.9975 1196209 ChemDiv1_001237 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(=O)C)c(=O)n2C1c4ccc(OC(=O)C)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 I06 compound treatment 0.283 0.0311 1.53 0.284 0.0366 1.88 2.4149 0.9948 1153353 ChemDiv1_001238 CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 I07 compound treatment 0.256 0.00413 0.2 0.257 0.00955 0.49 0.4917 0.9238 1970872 ChemDiv1_001239 CCSCCOC(=O)C1=C(C)N(C)C(=O)NC1c2ccccc2OCc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 I08 compound treatment 0.264 0.0121 0.6 0.266 0.0186 0.96 1.0979 0.9745 1778024 ChemDiv1_001240 Cc1cc2C3C=CCC3CN4C(C5CC=CC5c(c1)c42)c6cccc(c6)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 I09 compound treatment 0.258 0.00613 0.3 0.258 0.0106 0.54 0.5977 0.9616 1565494 ChemDiv1_001241 CCOC(=O)c1c(N=c2oc3c(OC)cccc3cc2C(=O)N)sc4CCCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 I10 compound treatment 0.271 0.0191 0.94 0.273 0.0256 1.32 1.5965 0.9866 1970873 ChemDiv1_001242 Cc1ccc(cc1[N+](=O)[O-])C2=N/C(=C\C(=C\c3ccccc3)\Br)/C(=O)O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 I11 compound treatment 0.264 0.0121 0.6 0.256 0.00855 0.44 0.7339 0.9887 1227373 ChemDiv1_001243 CCCOc1ccccc1C2Nc3ccccc3-c4nnc(SC)nc4O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 I12 compound treatment 0.263 0.0111 0.55 0.262 0.0146 0.75 0.9175 0.9882 1489761 ChemDiv1_001244 Cc1nc2sc3CCCCCc3c2c(=O)o1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 I13 compound treatment 0.269 0.0171 0.84 0.267 0.0196 1.01 1.3084 0.9962 1712755 ChemDiv1_001245 CCSc1nnc-2c(OC(C)(C)Nc3ccccc32)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 I14 compound treatment 0.3 0.0481 2.37 0.296 0.0486 2.5 3.4437 0.9997 1970874 ChemDiv1_001246 Oc1ccc(/C=C/2\S/C(=N\c3ccc(O)cc3)/N(C2=O)c4ccc(O)cc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 I15 compound treatment 0.262 0.0101 0.5 0.26 0.0126 0.65 0.8098 0.9919 1457895 ChemDiv1_001247 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2C1c4ccc(cc4)N(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 I16 compound treatment 0.243 -0.00887 -0.44 0.243 -0.00445 -0.23 -0.4707 -0.9546 1970875 ChemDiv1_001248 FC(F)(F)c1cccc(NC(=O)C2COc3ccccc3O2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 I17 compound treatment 0.266 0.0141 0.7 0.265 0.0176 0.9 1.1311 0.9917 1410046 ChemDiv1_001249 OCC1(OC2C=C1)C3C2C(=O)N(C3=O)c4cccc5ccccc45 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 I18 compound treatment 0.263 0.0111 0.55 0.263 0.0156 0.8 0.9539 0.983 1561539 ChemDiv1_001250 Cc1ccc(C)c(NC(=O)C2COc3ccccc3O2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 I19 compound treatment 0.262 0.0101 0.5 0.26 0.0126 0.65 0.8098 0.9919 1551148 ChemDiv1_001251 Fc1ccc(cc1)C(=O)Nc2nnc(CCS(=O)(=O)c3ccc4ccccc4c3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 I20 compound treatment 0.256 0.00413 0.2 0.256 0.00855 0.44 0.4553 0.9386 1529929 ChemDiv1_001252 CCOc1ccc(NC(=O)C2COc3ccccc3O2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 I21 compound treatment 0.259 0.00713 0.35 0.258 0.0106 0.54 0.6325 0.9778 1779344 ChemDiv1_001253 [O-][N+](=O)c1ccc(cc1)C(=O)Nc2nnc(CCS(=O)(=O)c3ccc4ccccc4c3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 I22 compound treatment 0.259 0.00713 0.35 0.258 0.0106 0.54 0.6325 0.9778 1368815 ChemDiv1_001254 O=C(Nc1cccc2ccccc12)C3COc4ccccc4O3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 I23 mock treatment 0.259 0.00713 0.35 0.258 0.0106 0.54 0.6325 0.9778 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 I24 mock treatment 0.261 0.00913 0.45 0.255 0.00755 0.39 0.593 0.9974 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 J01 compound treatment 0.247 -0.00487 -0.24 0.24 -0.00745 -0.38 -0.4406 -0.9744 1970876 ChemDiv1_001255 COc1ccc(/C=C/2\SC(=O)N(CC(=O)Nc3sc4CCCCc4c3C(=O)N)C2=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 J02 compound treatment 0.252 1.33E-4 0.01 0.249 0.00155 0.08 0.0611 0.7627 1579344 ChemDiv1_001256 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3OC)c(=O)n2C1c4ccc(cc4)N(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 J03 compound treatment 0.321 0.0691 3.41 0.295 0.0476 2.45 4.1387 0.9869 1926369 ChemDiv1_001257 COc1ccc(/C=C\2/SC(=S)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 J04 compound treatment 0.351 0.0991 4.88 0.33 0.0826 4.25 6.4576 0.9976 1705678 ChemDiv1_001258 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(OC)c3)c(=O)n2C1c4ccc5OCOc5c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 J05 compound treatment 0.308 0.0561 2.76 0.308 0.0606 3.12 4.1592 0.9982 1970877 ChemDiv1_001259 Oc1ccc(cc1NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)cc3)/C2=O)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 J06 compound treatment 0.298 0.0461 2.27 0.299 0.0516 2.65 3.4833 0.997 1645268 ChemDiv1_001260 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OC)c(=O)n2C1c4ccc(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 J07 compound treatment 0.309 0.0571 2.81 0.305 0.0576 2.96 4.0848 0.9997 1696816 ChemDiv1_001261 CCOC(=O)c1c(NC(=O)C2COc3ccccc3O2)sc4CCCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 J08 compound treatment 0.281 0.0291 1.43 0.284 0.0366 1.88 2.3452 0.991 1970878 ChemDiv1_001262 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2C1c4ccc(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 J09 compound treatment 0.275 0.0231 1.14 0.276 0.0286 1.47 1.845 0.9921 1970879 ChemDiv1_001263 Cc1ccc(N/C=C/2\N=C(OC2=O)c3ccccc3Br)c(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 J10 compound treatment 0.266 0.0141 0.7 0.27 0.0226 1.16 1.3132 0.9701 1230852 ChemDiv1_001264 COc1cc(ccc1OCc2ccc(C)cc2)C3C4=C(CC(C)(C)CC4=O)OC5=C3C(=O)CC(C)(C)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 J11 compound treatment 0.33 0.0781 3.85 0.343 0.0956 4.92 6.1995 0.9926 1970880 ChemDiv1_001265 COc1ccc(/C=C/2\S\C(=N/c3ccccc3)\NC2=O)c4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 J12 compound treatment 0.263 0.0111 0.55 0.26 0.0126 0.65 0.8447 0.9967 1939288 ChemDiv1_001266 [O-][N+](=O)c1cc(ccc1Oc2cccc(C=c3sc4nc5ccccc5n4c3=O)c2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 J13 compound treatment 0.253 0.00113 0.06 0.252 0.00455 0.23 0.2052 0.8517 1289568 ChemDiv1_001267 COc1ccccc1OCCn2c(SCC(=O)N)nc3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 J14 compound treatment 0.267 0.0151 0.75 0.267 0.0196 1.01 1.2388 0.9891 1970881 ChemDiv1_001268 Cc1cc(C)n(n1)c2nc3nonc3nc2n4nc(C)cc4C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 J15 compound treatment 0.266 0.0141 0.7 0.263 0.0156 0.8 1.0583 0.9976 1454635 ChemDiv1_001269 COc1ccc(cc1)C(=O)Nc2cc(ccc2C)c3nc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 J16 compound treatment 0.26 0.00813 0.4 0.261 0.0136 0.7 0.7766 0.9653 1646280 ChemDiv1_001270 CCCSc1nnc-2c(OC(Nc3ccccc32)c4cc(Br)ccc4OC)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 J17 compound treatment 0.262 0.0101 0.5 0.261 0.0136 0.7 0.8462 0.9865 1667819 ChemDiv1_001271 CC(C)CCOC(=O)C1=C(C)N(C)C(=O)NC1c2ccc(OCc3ccccc3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 J18 compound treatment 0.262 0.0101 0.5 0.263 0.0156 0.8 0.919 0.9741 1178474 ChemDiv1_001272 CCCSc1nnc-2c(OC(Nc3ccccc32)c4cc(Br)c(O)c(OC)c4)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 J19 compound treatment 0.256 0.00413 0.2 0.255 0.00755 0.39 0.4189 0.9544 1970882 ChemDiv1_001273 CCOc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccc3oc(nc3c2)c4cccc(F)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 J20 compound treatment 0.273 0.0211 1.04 0.275 0.0276 1.42 1.739 0.9884 1236130 ChemDiv1_001274 COc1ccc(cc1)c2cc(C(=O)Nc3ccccc3)c4ccccc4n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 J21 compound treatment 0.26 0.00813 0.4 0.259 0.0116 0.59 0.7038 0.9815 1600177 ChemDiv1_001275 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(Br)c3)c(=O)n2C1c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 J22 compound treatment 0.253 0.00113 0.06 0.251 0.00355 0.18 0.1688 0.8828 1701887 ChemDiv1_001276 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4ccc(cc4)S(=O)(=O)N5CCOCC5)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 J23 mock treatment 0.254 0.00213 0.11 0.25 0.00255 0.13 0.1672 0.9939 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 J24 mock treatment 0.259 0.00713 0.35 0.251 0.00355 0.18 0.3777 0.9537 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 K01 compound treatment 0.255 0.00313 0.15 0.245 -0.00245 -0.13 0.02 0.1004 1970883 ChemDiv1_001277 COC(=O)c1ccccc1NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 K02 compound treatment 0.259 0.00713 0.35 0.257 0.00955 0.49 0.5961 0.9864 1171575 ChemDiv1_001278 O=CN(CN1C(=O)c2ccccc2S1(=O)=O)CN3C(=O)c4ccccc4S3(=O)=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 K03 compound treatment 0.269 0.0171 0.84 0.272 0.0246 1.26 1.4904 0.9807 1970884 ChemDiv1_001279 CCOC(=O)c1c(NC(=O)Cn2cnc(n2)[N+](=O)[O-])sc3CCCCc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 K04 compound treatment 0.277 0.0251 1.24 0.265 0.0176 0.9 1.5142 0.988 1207178 ChemDiv1_001280 COc1cccc2C3C=CCC3C(Nc12)c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 K05 compound treatment 0.267 0.0151 0.75 0.27 0.0226 1.16 1.348 0.977 1689774 ChemDiv1_001281 CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(Br)c3)c(=O)n2C1c4ccc(OC(=O)C)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 K06 compound treatment 0.269 0.0171 0.84 0.259 0.0116 0.59 1.0172 0.9853 1160035 ChemDiv1_001282 CCOC(=O)c1cc2C3C=CCC3CN4C(C5CC=CC5c(c1)c42)c6ccc(F)cc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 K07 compound treatment 0.258 0.00613 0.3 0.259 0.0116 0.59 0.6341 0.9507 1970885 ChemDiv1_001283 CCSCCOC(=O)C1=C(C)N(C)C(=O)NC1c2cc(Br)c(O)c(OC)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 K08 compound treatment 0.281 0.0291 1.43 0.283 0.0356 1.83 2.3088 0.9927 1299660 ChemDiv1_001284 Fc1ccc(cc1)C2Nc3c(Cl)cc(Cl)cc3C4C=CCC42 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 K09 compound treatment 0.253 0.00113 0.06 0.254 0.00655 0.34 0.278 0.8131 1452067 ChemDiv1_001285 CCOC(=O)c1c(N=c2oc3ccc(Cl)cc3cc2C(=O)N)sc4CCCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 K10 compound treatment 0.263 0.0111 0.55 0.26 0.0126 0.65 0.8447 0.9967 1970886 ChemDiv1_001286 COc1cc(cc(OC)c1OC)C2=N/C(=C\c3ccc(Br)cc3)/C(=O)O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 K11 compound treatment 0.26 0.00813 0.4 0.262 0.0146 0.75 0.813 0.957 1348405 ChemDiv1_001287 CCSc1nnc-2c(OC(Nc3ccccc32)c4cccs4)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 K12 compound treatment 0.263 0.0111 0.55 0.266 0.0186 0.96 1.0631 0.9653 1435390 ChemDiv1_001288 O=c1oc(nc2sc3CCCCCc3c12)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 K13 compound treatment 0.252 1.33E-4 0.01 0.253 0.00555 0.29 0.2067 0.7232 1614429 ChemDiv1_001289 CCSc1nnc-2c(OC(Nc3ccccc32)C4CCC(=CC4)C)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 K14 compound treatment 0.265 0.0131 0.65 0.264 0.0166 0.85 1.0599 0.9908 1970887 ChemDiv1_001290 COc1ccc(/N=C/2\S/C(=C/3\C(=O)Nc4ccccc34)/C(=O)N2c5ccc(OC)cc5)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 K15 compound treatment 0.274 0.0221 1.09 0.277 0.0296 1.52 1.8466 0.9866 1970888 ChemDiv1_001291 OC(=O)CN1C(=O)/C(=C\c2ccc(o2)c3ccc(Cl)c(c3)[N+](=O)[O-])/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 K16 compound treatment 0.257 0.00513 0.25 0.258 0.0106 0.54 0.5629 0.9394 1166351 ChemDiv1_001292 O=C(NCCc1ccccc1)C2COc3ccccc3O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 K17 compound treatment 0.261 0.00913 0.45 0.26 0.0126 0.65 0.775 0.9843 1229713 ChemDiv1_001293 Cc1ccc(cc1Br)N2C(=O)C3C4OC(CO)(C=C4)C3C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 K18 compound treatment 0.258 0.00613 0.3 0.256 0.00855 0.44 0.5249 0.9831 1123847 ChemDiv1_001294 Cc1cccc(NC(=O)C2COc3ccccc3O2)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 K19 compound treatment 0.258 0.00613 0.3 0.255 0.00755 0.39 0.4885 0.9922 1197892 ChemDiv1_001295 Fc1ccc(cc1)C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Br)cc3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 K20 compound treatment 0.256 0.00413 0.2 0.255 0.00755 0.39 0.4189 0.9544 1656945 ChemDiv1_001296 O=C(NCc1ccco1)C2COc3ccccc3O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 K21 compound treatment 0.289 0.0371 1.83 0.284 0.0366 1.88 2.6238 0.9999 1556522 ChemDiv1_001297 Clc1ccccc1C(=O)Nc2nnc(CCS(=O)(=O)c3ccc4ccccc4c3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 K22 compound treatment 0.255 0.00313 0.15 0.255 0.00755 0.39 0.384 0.9181 1947864 ChemDiv1_001298 CC(=O)c1cccc(NC(=O)C2COc3ccccc3O2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 K23 mock treatment 0.256 0.00413 0.2 0.254 0.00655 0.34 0.3825 0.9708 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 K24 mock treatment 0.261 0.00913 0.45 0.252 0.00455 0.23 0.4838 0.9538 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 L01 compound treatment 0.269 0.0171 0.84 0.271 0.0236 1.21 1.454 0.9843 1970889 ChemDiv1_001299 NC(=O)c1c(NC(=O)CN2C(=O)/C(=C\c3c(Cl)cccc3Cl)/SC2=S)sc4CCCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 L02 compound treatment 0.272 0.0201 0.99 0.267 0.0196 1.01 1.4129 1.0 1250080 ChemDiv1_001300 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OCC)c3)c(=O)n2C1c4ccc5OCOc5c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 L03 compound treatment 0.271 0.0191 0.94 0.273 0.0256 1.32 1.5965 0.9866 1926386 ChemDiv1_001301 COc1ccc(/C=C\2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 L04 compound treatment 0.257 0.00513 0.25 0.257 0.00955 0.49 0.5265 0.9522 1508794 ChemDiv1_001302 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(OC)c(OC)c3)c(=O)n2C1c4ccc5OCOc5c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 L05 compound treatment 0.259 0.00713 0.35 0.26 0.0126 0.65 0.7053 0.959 1970890 ChemDiv1_001303 CN1CCN(CC1)NC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)/SC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 L06 compound treatment 0.268 0.0161 0.79 0.267 0.0196 1.01 1.2736 0.9931 1394243 ChemDiv1_001304 CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OC)c3)c(=O)n2C1c4ccc(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 L07 compound treatment 0.257 0.00513 0.25 0.256 0.00855 0.44 0.4901 0.9653 1254618 ChemDiv1_001305 CCOC(=O)Cc1csc(NC(=O)CCN2C(=O)c3ccccc3C2=O)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 L08 compound treatment 0.323 0.0711 3.5 0.337 0.0896 4.61 5.7373 0.9908 1174775 ChemDiv1_001306 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3O)c(=O)n2C1c4ccc(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 L09 compound treatment 0.285 0.0331 1.63 0.284 0.0366 1.88 2.4845 0.9975 1970891 ChemDiv1_001307 COc1cc(ccc1N/C=C/2\N=C(OC2=O)c3ccccc3Br)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 L10 compound treatment 0.268 0.0161 0.79 0.266 0.0186 0.96 1.2372 0.9958 1243339 ChemDiv1_001308 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccc(OCc5c(F)cccc5Cl)cc4)C(=O)CC(C)(C)C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 L11 compound treatment 0.337 0.0851 4.19 0.367 0.12 6.15 7.3169 0.9825 1970892 ChemDiv1_001309 Cc1cc(/C=C/2\S\C(=N/c3ccccc3)\NC2=O)c(C)n1c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 L12 compound treatment 0.258 0.00613 0.3 0.256 0.00855 0.44 0.5249 0.9831 1970893 ChemDiv1_001310 COC(=O)c1ccc(cc1)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 L13 compound treatment 0.262 0.0101 0.5 0.261 0.0136 0.7 0.8462 0.9865 1512930 ChemDiv1_001311 OC(=O)CSc1nc2ccccc2n1C3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 L14 compound treatment 0.259 0.00713 0.35 0.259 0.0116 0.59 0.6689 0.9685 1970894 ChemDiv1_001312 CN1CCN(CC1)c2ccc(C=c3sc4nc5cc(C)c(C)cc5n4c3=O)cc2[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 L15 compound treatment 0.262 0.0101 0.5 0.26 0.0126 0.65 0.8098 0.9919 1309677 ChemDiv1_001313 Cc1ccc2oc(nc2c1)c3ccc(NC(=O)c4ccccc4F)c(C)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 L16 compound treatment 0.257 0.00513 0.25 0.256 0.00855 0.44 0.4901 0.9653 1970895 ChemDiv1_001314 Fc1ccc2NC(=O)/C(=C/3\S/C(=N\c4ccccc4)/N(C3=O)c5ccccc5)/c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 L17 compound treatment 0.263 0.0111 0.55 0.264 0.0166 0.85 0.9903 0.9773 1641533 ChemDiv1_001315 CN1C(=C(C(NC1=O)c2cc3OCOc3cc2Br)C(=O)OCC=C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 L18 compound treatment 0.347 0.0951 4.69 0.346 0.0986 5.07 6.9007 0.9992 1970896 ChemDiv1_001316 OC1(N2CCOCC2)C(=O)Nc3ccc(cc31)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 L19 compound treatment 0.281 0.0291 1.43 0.293 0.0456 2.35 2.6728 0.9722 1138857 ChemDiv1_001317 CCOc1ccc(cc1Br)C(=O)Nc2ccc(Cl)c(c2)c3nc4ccccc4o3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 L20 compound treatment 0.291 0.0391 1.93 0.295 0.0476 2.45 3.0939 0.993 1266559 ChemDiv1_001318 COc1ccc(NC(=O)c2cc(nc3ccccc23)c4ccc(OC)cc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 L21 compound treatment 0.264 0.0121 0.6 0.262 0.0146 0.75 0.9523 0.9937 1569824 ChemDiv1_001319 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OCC)c3)c(=O)n2C1c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 L22 compound treatment 0.266 0.0141 0.7 0.262 0.0146 0.75 1.0219 0.9993 1602760 ChemDiv1_001320 COc1ccc(cc1)c2cn3cc(Cl)ccc3n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 L23 mock treatment 0.258 0.00613 0.3 0.258 0.0106 0.54 0.5977 0.9616 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 L24 mock treatment 0.259 0.00713 0.35 0.247 -4.48E-4 -0.02 0.2321 0.6592 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 M01 compound treatment 0.251 -8.67E-4 -0.04 0.248 5.52E-4 0.03 -0.0101 -0.197 1970897 ChemDiv1_001321 FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)NCCN3CCOCC3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 M02 compound treatment 0.281 0.0291 1.43 0.28 0.0326 1.68 2.1996 0.997 1510170 ChemDiv1_001322 Brc1ccc(cc1)C2Nc3ccc4ccccc4c3C5C=CCC52 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 M03 compound treatment 0.255 0.00313 0.15 0.252 0.00455 0.23 0.2748 0.9795 1970898 ChemDiv1_001323 COc1ccc(cc1OC)C2=N/C(=C\C(=C\c3ccccc3)\Br)/C(=O)O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 M04 compound treatment 0.288 0.0361 1.78 0.293 0.0456 2.35 2.9166 0.9907 1301948 ChemDiv1_001324 C1C=CC2C1C(Nc3ccc4ccccc4c23)c5cccc6ccccc56 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 M05 compound treatment 0.262 0.0101 0.5 0.259 0.0116 0.59 0.7734 0.9962 1408658 ChemDiv1_001325 CC1=C(C(c2ccccc2)n3c(=O)c(=Cc4ccc5OCOc5c4)sc3=N1)C(=O)Nc6ccccc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 M06 compound treatment 0.277 0.0251 1.24 0.272 0.0246 1.26 1.7691 0.9999 1970899 ChemDiv1_001326 CCCCCC1CCN2C(C3CC=CC3c4cc(cc1c24)C(=O)O)c5ccc(Br)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 M07 compound treatment 0.259 0.00713 0.35 0.259 0.0116 0.59 0.6689 0.9685 1548049 ChemDiv1_001327 COc1cc(cc(Br)c1O)C2NC(=O)N(C)C(=C2C(=O)OC3CCCC3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 M08 compound treatment 0.267 0.0151 0.75 0.262 0.0146 0.75 1.0568 1.0 1570381 ChemDiv1_001328 CCC(=O)N1C(C2CC=CC2c3cc(Cl)ccc13)c4cccc5ccccc45 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 M09 compound treatment 0.27 0.0181 0.89 0.268 0.0206 1.06 1.3797 0.9964 1491927 ChemDiv1_001329 CCOC(=O)c1c(N=c2oc3cc(O)ccc3cc2C(=O)N)sc4CCCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 M10 compound treatment 0.258 0.00613 0.3 0.258 0.0106 0.54 0.5977 0.9616 1970900 ChemDiv1_001330 COCCOC(=O)C1=C(C)N(C)C(=O)NC1c2cc(Br)c(O)c(OC)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 M11 compound treatment 0.27 0.0181 0.89 0.269 0.0216 1.11 1.4161 0.9942 1777860 ChemDiv1_001331 CCSc1nnc-2c(OC(Nc3ccccc32)c4ccc(o4)[N+](=O)[O-])n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 M12 compound treatment 0.259 0.00713 0.35 0.26 0.0126 0.65 0.7053 0.959 1271248 ChemDiv1_001332 O=c1oc(nc2sc3CCCCCc3c12)c4ccncc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 M13 compound treatment 0.277 0.0251 1.24 0.272 0.0246 1.26 1.7691 0.9999 1734684 ChemDiv1_001333 CCSc1nnc-2c(OC(Nc3ccccc32)C4CC=C(C)CC4C)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 M14 compound treatment 0.324 0.0721 3.55 0.351 0.104 5.33 6.2817 0.9806 1970901 ChemDiv1_001334 COc1ccccc1/N=C/2\S/C(=C/3\C(=O)Nc4ccccc34)/C(=O)N2c5ccccc5OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 M15 compound treatment 0.262 0.0101 0.5 0.26 0.0126 0.65 0.8098 0.9919 1970902 ChemDiv1_001335 [O-][N+](=O)c1cc(ccc1Cl)c2ccc(/C=C\3/SC(=N)NC3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 M16 compound treatment 0.255 0.00313 0.15 0.256 0.00855 0.44 0.4204 0.9012 1311897 ChemDiv1_001336 O=C(NCc1ccccc1)C2COc3ccccc3O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 M17 compound treatment 0.274 0.0221 1.09 0.271 0.0236 1.21 1.6282 0.9986 1934400 ChemDiv1_001337 [O-][N+](=O)c1cc(Br)ccc1N2C(=O)C3C(C4CCC3C=C4)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 M18 compound treatment 0.256 0.00413 0.2 0.258 0.0106 0.54 0.5281 0.9103 1502070 ChemDiv1_001338 CCc1ccccc1NC(=O)C2COc3ccccc3O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 M19 compound treatment 0.256 0.00413 0.2 0.256 0.00855 0.44 0.4553 0.9386 1339108 ChemDiv1_001339 Clc1ccc(cc1)C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Br)cc3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 M20 compound treatment 0.254 0.00213 0.11 0.253 0.00555 0.29 0.2764 0.9077 1562779 ChemDiv1_001340 COC(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 M21 compound treatment 0.252 1.33E-4 0.01 0.253 0.00555 0.29 0.2067 0.7232 1196940 ChemDiv1_001341 Clc1ccccc1C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Br)cc3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 M22 compound treatment 0.258 0.00613 0.3 0.258 0.0106 0.54 0.5977 0.9616 1941451 ChemDiv1_001342 [O-][N+](=O)c1ccccc1NC(=O)C2COc3ccccc3O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 M23 mock treatment 0.255 0.00313 0.15 0.25 0.00255 0.13 0.202 0.9968 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 M24 mock treatment 0.254 0.00213 0.11 0.222 -0.0254 -1.31 -0.8521 -0.6483 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 N01 compound treatment 0.252 1.33E-4 0.01 0.236 -0.0114 -0.59 -0.4121 -0.6992 1970903 ChemDiv1_001343 NC(=O)c1c(NC(=O)CN2C(=O)S/C(=C/c3c(Cl)cccc3Cl)/C2=O)sc4CCCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 N02 compound treatment 0.252 1.33E-4 0.01 0.252 0.00455 0.23 0.1703 0.7266 1637735 ChemDiv1_001344 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2C1c4ccc5OCOc5c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 N03 compound treatment 0.26 0.00813 0.4 0.259 0.0116 0.59 0.7038 0.9815 1970904 ChemDiv1_001345 CCOC(=O)c1c(NC(=O)CN2C(=O)/C(=C/c3ccccc3Cl)/SC2=S)sc4CCCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 N04 compound treatment 0.253 0.00113 0.06 0.253 0.00555 0.29 0.2416 0.8295 1164815 ChemDiv1_001346 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(o3)c4ccc(cc4)C(=O)O)c(=O)n2C1c5ccc6OCOc6c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 N05 compound treatment 0.297 0.0451 2.22 0.298 0.0506 2.6 3.4121 0.9969 1970905 ChemDiv1_001347 COc1ccc(/C=C/2\SC(=S)N(CCC(=O)NN3CCN(C)CC3)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 N06 compound treatment 0.256 0.00413 0.2 0.253 0.00555 0.29 0.346 0.9862 1685991 ChemDiv1_001348 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4OCOc4c3)c(=O)n2C1c5ccc(OC)c(OC)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 N07 compound treatment 0.262 0.0101 0.5 0.26 0.0126 0.65 0.8098 0.9919 1121532 ChemDiv1_001349 CCOC(=O)Cc1csc(NC(=O)Nc2ccccc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 N08 compound treatment 0.334 0.0821 4.05 0.366 0.119 6.1 7.176 0.9801 1387126 ChemDiv1_001350 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(Br)c3)c(=O)n2C1c4ccc(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 N09 compound treatment 0.263 0.0111 0.55 0.267 0.0196 1.01 1.0995 0.9592 1970906 ChemDiv1_001351 [O-][N+](=O)c1ccc(Cl)c(N/C=C/2\N=C(OC2=O)c3ccccc3Br)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 N10 compound treatment 0.277 0.0251 1.24 0.29 0.0426 2.19 2.4243 0.9635 1970907 ChemDiv1_001352 COc1cc(/C=C/2\SC(=N)NC2=O)ccc1OCc3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 N11 compound treatment 0.323 0.0711 3.5 0.331 0.0836 4.3 5.5188 0.9948 1970908 ChemDiv1_001353 COc1ccc(OC)c(/C=C/2\S\C(=N/c3ccccc3Cl)\NC2=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 N12 compound treatment 0.318 0.0661 3.26 0.319 0.0716 3.68 4.9079 0.9981 1614765 ChemDiv1_001354 COc1ccc(OC)c(Nc2nc3nonc3nc2Nc4ccc(F)cc4)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 N13 compound treatment 0.264 0.0121 0.6 0.261 0.0136 0.7 0.9159 0.997 1607482 ChemDiv1_001355 CC(C)c1cc(C)ccc1OCCn2c(SCC(=O)N)nc3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 N14 compound treatment 0.257 0.00513 0.25 0.257 0.00955 0.49 0.5265 0.9522 1940586 ChemDiv1_001356 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OC(=O)c3cc(F)c(F)cc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 N15 compound treatment 0.259 0.00713 0.35 0.261 0.0136 0.7 0.7417 0.9496 1970909 ChemDiv1_001357 Cc1ccc2nc(sc2c1)c3ccc(NC(=O)c4cccc5c(Br)cccc45)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 N16 compound treatment 0.312 0.0601 2.96 0.32 0.0726 3.74 4.7353 0.9934 1970910 ChemDiv1_001358 CCCSc1nnc-2c(OC(Nc3ccccc32)c4cc5OCOc5cc4[N+](=O)[O-])n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 N17 compound treatment 0.283 0.0311 1.53 0.277 0.0296 1.52 2.16 1.0 1621030 ChemDiv1_001359 CC(C)COC(=O)C1=C(C)N(C)C(=O)NC1c2cc3OCOc3cc2Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 N18 compound treatment 0.315 0.0631 3.11 0.316 0.0686 3.53 4.6942 0.998 1970911 ChemDiv1_001360 OC1(N2CCCCCC2)C(=O)Nc3ccc(cc31)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 N19 compound treatment 0.273 0.0211 1.04 0.27 0.0226 1.16 1.5569 0.9985 1970912 ChemDiv1_001361 COC(=O)c1ccc(NCN2C(=O)S/C(=C/c3ccc(SC)cc3)/C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 N20 compound treatment 0.254 0.00213 0.11 0.256 0.00855 0.44 0.3856 0.8519 1392159 ChemDiv1_001362 CC(C)OC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc4CC(C)CCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 N21 compound treatment 0.259 0.00713 0.35 0.259 0.0116 0.59 0.6689 0.9685 1237768 ChemDiv1_001363 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc4OCOc4cc3Br)c(=O)n2C1c5ccc(OC)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 N22 compound treatment 0.255 0.00313 0.15 0.252 0.00455 0.23 0.2748 0.9795 1970913 ChemDiv1_001364 [O-][N+](=O)c1ccccc1C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 N23 mock treatment 0.258 0.00613 0.3 0.255 0.00755 0.39 0.4885 0.9922 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 N24 mock treatment 0.254 0.00213 0.11 0.23 -0.0174 -0.9 -0.5609 -0.6202 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 O01 compound treatment 0.228 -0.0239 -1.18 0.235 -0.0124 -0.64 -1.2844 -0.9593 1939402 ChemDiv1_001365 FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)N3CCOCC3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 O02 compound treatment 0.29 0.0381 1.88 0.287 0.0396 2.04 2.7678 0.9992 1120040 ChemDiv1_001366 Fc1ccc(cc1)C2Nc3ccc4ccccc4c3C5C=CCC52 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 O03 compound treatment 0.256 0.00413 0.2 0.255 0.00755 0.39 0.4189 0.9544 1970914 ChemDiv1_001367 CCc1nnc(/N=C/2\S/C(=C\C=C\c3ccccc3)/C(=O)N2CC=C)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 O04 compound treatment 0.285 0.0331 1.63 0.289 0.0416 2.14 2.6665 0.9911 1281056 ChemDiv1_001368 OC(=O)c1ccc2NC(C3CC=CC3c2c1)c4cccc5ccccc45 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 O05 compound treatment 0.259 0.00713 0.35 0.256 0.00855 0.44 0.5597 0.9938 1471300 ChemDiv1_001369 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(OC(=O)C)c4ccccc34)c(=O)n2C1c5ccc(C)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 O06 compound treatment 0.278 0.0261 1.29 0.271 0.0236 1.21 1.7675 0.9996 1620950 ChemDiv1_001370 Fc1ccc(cc1)C2Nc3ccc(Br)cc3C4C=CCC42 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 O07 compound treatment 0.249 -0.00287 -0.14 0.247 -4.48E-4 -0.02 -0.1162 -0.8119 1940105 ChemDiv1_001371 CN1C(=C(C(NC1=O)c2ccccc2[N+](=O)[O-])C(=O)OCCOc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 O08 compound treatment 0.282 0.0301 1.48 0.281 0.0336 1.73 2.2708 0.9971 1970915 ChemDiv1_001372 CCCCOC(=O)C1=C(C)N(C)C(=O)NC1c2cc3OCOc3cc2Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 O09 compound treatment 0.255 0.00313 0.15 0.254 0.00655 0.34 0.3476 0.9372 1284310 ChemDiv1_001373 NC(=O)c1cc2cc(Br)ccc2oc1=Nc3sc4CCCCc4c3C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 O10 compound treatment 0.259 0.00713 0.35 0.254 0.00655 0.34 0.4869 0.9998 1730130 ChemDiv1_001374 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Br)cc2)C(=O)Nc3cccc(Cl)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 O11 compound treatment 0.263 0.0111 0.55 0.259 0.0116 0.59 0.8083 0.9992 1261941 ChemDiv1_001375 CCSc1nnc-2c(OC(Nc3ccccc32)c4cc(Br)ccc4OC)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 O12 compound treatment 0.26 0.00813 0.4 0.253 0.00555 0.29 0.4854 0.9863 1970916 ChemDiv1_001376 Clc1c(sc2ccccc12)C(=O)Nc3ccc(OC(=O)c4sc5ccccc5c4Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 O13 compound treatment 0.264 0.0121 0.6 0.26 0.0126 0.65 0.8795 0.9992 1778646 ChemDiv1_001377 CCSc1nnc-2c(OC(Nc3ccccc32)/C(=C/c4ccccc4)/C)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 O14 compound treatment 0.254 0.00213 0.11 0.254 0.00655 0.34 0.3128 0.8854 1646820 ChemDiv1_001378 Clc1ccc(NC(=O)c2cc3ccccc3oc2=O)c(c1)C(=O)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 O15 compound treatment 0.286 0.0341 1.68 0.29 0.0426 2.19 2.7377 0.9915 1970917 ChemDiv1_001379 Clc1ccc(COc2ccc(/C=C\3/C(=O)NC(=O)N(CC=C)C3=O)cc2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 O16 compound treatment 0.256 0.00413 0.2 0.253 0.00555 0.29 0.346 0.9862 1733837 ChemDiv1_001380 Cc1ccccc1NC(=O)C2COc3ccccc3O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 O17 compound treatment 0.259 0.00713 0.35 0.256 0.00855 0.44 0.5597 0.9938 1970918 ChemDiv1_001381 COc1ccc(N2C(=O)C3C(C4CCC3C=C4)C2=O)c(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 O18 compound treatment 0.255 0.00313 0.15 0.254 0.00655 0.34 0.3476 0.9372 1684578 ChemDiv1_001382 CCc1ccc(NC(=O)C2COc3ccccc3O2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 O19 compound treatment 0.252 1.33E-4 0.01 0.25 0.00255 0.13 0.0975 0.7415 1389443 ChemDiv1_001383 Clc1ccc(cc1)C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Cl)cc3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 O20 compound treatment 0.253 0.00113 0.06 0.252 0.00455 0.23 0.2052 0.8517 1199570 ChemDiv1_001384 COC(=O)c1cccc(NC(=O)C2COc3ccccc3O2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 O21 compound treatment 0.256 0.00413 0.2 0.254 0.00655 0.34 0.3825 0.9708 1405180 ChemDiv1_001385 COc1cccc(c1)C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Br)cc3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 O22 compound treatment 0.255 0.00313 0.15 0.254 0.00655 0.34 0.3476 0.9372 1780319 ChemDiv1_001386 [O-][N+](=O)c1cccc(NC(=O)C2COc3ccccc3O2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 O23 mock treatment 0.258 0.00613 0.3 0.255 0.00755 0.39 0.4885 0.9922 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 O24 mock treatment 0.232 -0.0199 -0.98 0.252 0.00455 0.23 -0.5262 -0.523 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 P01 compound treatment 0.221 -0.0309 -1.52 0.22 -0.0274 -1.41 -2.0742 -0.9993 1923594 ChemDiv1_001387 Oc1ccc(cc1NC(=O)CN2C(=O)/C(=C/c3ccccc3)/SC2=S)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 P02 compound treatment 0.243 -0.00887 -0.44 0.231 -0.0164 -0.85 -0.9076 -0.9526 1420444 ChemDiv1_001388 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3OC)c(=O)n2C1c4ccc5OCOc5c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 P03 compound treatment 0.229 -0.0229 -1.13 0.221 -0.0264 -1.36 -1.7592 -0.9956 1970919 ChemDiv1_001389 NC(=O)c1c(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Cl)/C2=O)sc4CCCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 P04 compound treatment 0.335 0.0831 4.09 0.331 0.0836 4.3 5.9368 0.9997 1529090 ChemDiv1_001390 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(o3)c4ccccc4C(=O)O)c(=O)n2C1c5ccc6OCOc6c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 P05 compound treatment 0.243 -0.00887 -0.44 0.237 -0.0104 -0.54 -0.6891 -0.9947 1970920 ChemDiv1_001391 Cc1cc(NC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)/SC2=S)no1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 P06 compound treatment 0.302 0.0501 2.47 0.32 0.0726 3.74 4.3871 0.9798 1209308 ChemDiv1_001392 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OCC)c3)c(=O)n2C1c4ccc(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 P07 compound treatment 0.242 -0.00987 -0.49 0.248 5.52E-4 0.03 -0.3235 -0.6646 1970921 ChemDiv1_001393 COc1cc(/C=C/2\N=C(OC2=O)c3ccc(C)c(c3)[N+](=O)[O-])cc(Br)c1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 P08 compound treatment 0.235 -0.0169 -0.83 0.247 -4.48E-4 -0.02 -0.6037 -0.7265 1970922 ChemDiv1_001394 O=C1C2C3CC(C=C3)C2C(=O)N1c4ccc(Oc5ccc(cc5)N6C(=O)C7C8CC(C=C8)C7C6=O)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 P09 compound treatment 0.268 0.0161 0.79 0.261 0.0136 0.7 1.0552 0.9979 1970923 ChemDiv1_001395 [O-][N+](=O)c1cc(N/C=C/2\N=C(OC2=O)c3ccccc3Br)ccc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 P10 compound treatment 0.251 -8.67E-4 -0.04 0.249 0.00155 0.08 0.0263 0.2904 1970924 ChemDiv1_001396 CN1C(=O)N(C)C(=O)C(=Cc2ccc(OCc3c(F)cccc3Cl)cc2)C1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 P11 compound treatment 0.256 0.00413 0.2 0.239 -0.00845 -0.43 -0.1636 -0.3407 1970925 ChemDiv1_001397 Cc1cc(C)c(/C=C/2\SC(=S)N(CC(=O)O)C2=O)c(C)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 P12 compound treatment 0.281 0.0291 1.43 0.274 0.0266 1.37 1.9812 0.9997 1230982 ChemDiv1_001398 COc1ccc(cc1OC)c2c(C#N)c(N)n3c4ccccc4nc3c2C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 P13 compound treatment 0.245 -0.00687 -0.34 0.248 5.52E-4 0.03 -0.2191 -0.6454 1970926 ChemDiv1_001399 Cc1ccc(OCCSc2nc3ccccc3n2CC(O)CO)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 P14 compound treatment 0.265 0.0131 0.65 0.234 -0.0134 -0.69 -0.0322 -0.0339 1663798 ChemDiv1_001400 CCSc1nnc-2c(OC(Nc3ccccc32)c4ccccn4)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 P15 compound treatment 0.24 -0.0119 -0.58 0.246 -0.00145 -0.07 -0.466 -0.7909 1274551 ChemDiv1_001401 Cc1cc2nc(oc2cc1C)c3cccc(NC(=O)c4cccc5c(Br)cccc45)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 P16 compound treatment 0.234 -0.0179 -0.88 0.23 -0.0174 -0.9 -1.2574 -0.9999 1181316 ChemDiv1_001402 CCCSc1nnc-2c(OC(Nc3ccccc32)c4c(C)nn(c4O)c5ccccc5)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 P17 compound treatment 0.25 -0.00187 -0.09 0.246 -0.00145 -0.07 -0.1177 -0.9946 1777936 ChemDiv1_001403 [O-][N+](=O)c1ccc(Cl)cc1n2nc(c3ccc(F)cc3)c4ccccc4c2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 P18 compound treatment 0.316 0.0641 3.16 0.292 0.0446 2.29 3.8554 0.9876 1970927 ChemDiv1_001404 OC1(N2CCCCCC2)C(=O)Nc3ccc(Br)cc31 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 P19 compound treatment 0.233 -0.0189 -0.93 0.241 -0.00645 -0.33 -0.8918 -0.9038 1970928 ChemDiv1_001405 COc1cc(/C=C/2\SC(=S)N(C2=O)c3ccc(cc3)[N+](=O)[O-])cc(Br)c1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 P20 compound treatment 0.285 0.0331 1.63 0.282 0.0346 1.78 2.4117 0.9991 1260587 ChemDiv1_001406 Fc1ccc(NC(=O)c2cc(nc3ccccc23)c4cccs4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 P21 compound treatment 0.239 -0.0129 -0.63 0.254 0.00655 0.34 -0.2096 -0.292 1692295 ChemDiv1_001407 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(OC)c3)c(=O)n2C1c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 P22 compound treatment 0.216 -0.0359 -1.77 0.222 -0.0254 -1.31 -2.1755 -0.9892 1970929 ChemDiv1_001408 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 P23 mock treatment 0.221 -0.0309 -1.52 0.229 -0.0184 -0.95 -1.7466 -0.9743 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.590 P24 mock treatment 0.22 -0.0319 -1.57 0.209 -0.0384 -1.98 -2.5094 -0.9934 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 A01 compound treatment 0.18 -0.0669 -3.29 0.202 -0.0466 -2.4 -4.0237 -0.9878 1970930 ChemDiv1_001409 Cc1c(N2C(SCC2=O)c3ccc(cc3)[N+](=O)[O-])c(=O)n(c4ccccc4)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 A02 compound treatment 0.213 -0.0339 -1.67 0.191 -0.0576 -2.96 -3.2749 -0.963 1970931 ChemDiv1_001410 COc1cc(/C=C\2/C(=NN(C2=O)c3ccc(Cl)c(c3)C(=O)O)C)ccc1OCc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 A03 compound treatment 0.225 -0.0219 -1.08 0.199 -0.0496 -2.55 -2.5657 -0.9264 1970932 ChemDiv1_001411 COc1ccc(cc1[N+](=O)[O-])C2=N/C(=C\c3cc(Br)c(OC(=O)C)c(OC)c3)/C(=O)O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 A04 compound treatment 0.231 -0.0159 -0.78 0.239 -0.00957 -0.49 -0.9007 -0.9753 1970933 ChemDiv1_001412 [O-][N+](=O)c1cc(Br)c(c2ccc(/C=C\3/NC(=S)NC3=O)o2)c(Br)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 A05 compound treatment 0.212 -0.0349 -1.72 0.213 -0.0356 -1.83 -2.5089 -0.9995 1970934 ChemDiv1_001413 CSc1nnc-2c(OC(Nc3ccccc32)c4c(C)nn(c4Cl)c5ccccc5)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 A06 compound treatment 0.213 -0.0339 -1.67 0.205 -0.0436 -2.24 -2.7652 -0.9894 1970935 ChemDiv1_001414 COc1ccc(c2ccc(/C=C\3/C(=NN(C3=O)c4ccc(Br)cc4)C)o2)c(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 A07 compound treatment 0.219 -0.0279 -1.37 0.222 -0.0266 -1.37 -1.9374 -1.0 1970936 ChemDiv1_001415 CCCCSc1nnc-2c(OC(Nc3ccccc32)c4cccs4)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 A08 compound treatment 0.219 -0.0279 -1.37 0.21 -0.0386 -1.99 -2.3743 -0.9837 1970937 ChemDiv1_001416 FC(F)(F)c1cccc(N/C=C/2\N=C(OC2=O)c3ccc(Br)cc3)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 A09 compound treatment 0.22 -0.0269 -1.32 0.214 -0.0346 -1.78 -2.1938 -0.9893 1970938 ChemDiv1_001417 CCCCSc1nnc-2c(OC(C)(CC)Nc3ccccc32)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 A10 compound treatment 0.233 -0.0139 -0.68 0.224 -0.0246 -1.26 -1.3771 -0.9581 1970939 ChemDiv1_001418 Brc1ccc(cc1)C2=N/C(=C\N3CC4CC(C3)c5cccc(=O)n5C4)/C(=O)O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 A11 compound treatment 0.238 -0.00886 -0.44 0.229 -0.0196 -1.01 -1.0209 -0.93 1970940 ChemDiv1_001419 CCCCSc1nnc-2c(OC(Nc3ccccc32)c4ccco4)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 A12 compound treatment 0.231 -0.0159 -0.78 0.225 -0.0236 -1.21 -1.4103 -0.9773 1710890 ChemDiv1_001420 CCOC(=O)c1ccc(N=c2oc3ccccc3cc2C(=O)Nc4ccccc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 A13 compound treatment 0.219 -0.0279 -1.37 0.211 -0.0376 -1.93 -2.3379 -0.9859 1970941 ChemDiv1_001421 COc1cc(/C=C/2\N=C(OC2=O)c3ccc(Cl)c(c3)[N+](=O)[O-])ccc1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 A14 compound treatment 0.427 0.18 8.87 0.423 0.174 8.98 12.6235 1.0 1970942 ChemDiv1_001422 CCOc1ccc2S/C(=C/NCc3ccc(F)cc3)/C(=O)c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 A15 compound treatment 0.22 -0.0269 -1.32 0.214 -0.0346 -1.78 -2.1938 -0.9893 1970943 ChemDiv1_001423 CCOc1cc(/C=C/2\N=C(OC2=O)c3ccccc3)cc(Br)c1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 A16 compound treatment 0.225 -0.0219 -1.08 0.209 -0.0396 -2.04 -2.2017 -0.9556 1926368 ChemDiv1_001424 Oc1ccc(cc1NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)/SC2=S)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 A17 compound treatment 0.244 -0.00286 -0.14 0.207 -0.0416 -2.14 -1.6128 -0.7521 1970944 ChemDiv1_001425 Clc1ccccc1c2nnc(SCCC3OCCCO3)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 A18 compound treatment 0.235 -0.0119 -0.58 0.23 -0.0186 -0.96 -1.089 -0.9721 1970945 ChemDiv1_001426 COc1cc(/C=C/2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 A19 compound treatment 0.243 -0.00386 -0.19 0.211 -0.0376 -1.93 -1.502 -0.7729 1970946 ChemDiv1_001427 CCCOc1ccc(OCCSc2nc3ccccc3n2CCO)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 A20 compound treatment 0.226 -0.0209 -1.03 0.2 -0.0486 -2.5 -2.4945 -0.9228 1970947 ChemDiv1_001428 Cc1nnc(NC(=O)CN2C(=O)/C(=C/c3ccc(C)cc3)/SC2=S)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 A21 compound treatment 0.22 -0.0269 -1.32 0.206 -0.0426 -2.19 -2.4851 -0.9708 1970948 ChemDiv1_001429 [O-][N+](=O)c1ccc(o1)C(=O)Nc2ccc(cc2)c3nc4ncccc4o3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 A22 compound treatment 0.3 0.0531 2.62 0.288 0.0394 2.03 3.2861 0.9921 1938786 ChemDiv1_001430 CN(C)CCOC(=O)CCN1C(=O)/C(=C/c2ccccc2Cl)/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 A23 mock treatment 0.208 -0.0389 -1.91 0.21 -0.0386 -1.99 -2.7574 -0.9998 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 A24 mock treatment 0.19 -0.0569 -2.8 0.193 -0.0556 -2.86 -4.0031 -0.9999 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 B01 compound treatment 0.214 -0.0329 -1.62 0.222 -0.0266 -1.37 -2.1116 -0.9965 1970949 ChemDiv1_001431 Brc1ccc2NC(=O)/C(=C/3\SC(=O)N(C3=O)c4ccccc4)/c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 B02 compound treatment 0.252 0.00514 0.25 0.255 0.00643 0.33 0.4131 0.9912 1940293 ChemDiv1_001432 COc1cc(/C=C/2\S\C(=N\c3ccccc3)\NC2=O)ccc1OCC=C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 B03 compound treatment 0.256 0.00914 0.45 0.261 0.0124 0.64 0.7709 0.9851 1970950 ChemDiv1_001433 [O-][N+](=O)c1cc(ccc1Cl)C2=N/C(=C\c3cc(Br)ccc3F)/C(=O)O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 B04 compound treatment 0.265 0.0181 0.89 0.263 0.0144 0.74 1.1571 0.9958 1970951 ChemDiv1_001434 Clc1ccccc1COc2ccccc2/C=C/3\SC(=N)NC3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 B05 compound treatment 0.261 0.0141 0.7 0.261 0.0124 0.64 0.945 0.9991 1970952 ChemDiv1_001435 CCN1C(=C(C(NC1=O)c2cc(Br)c(O)c(OC)c2)C(=O)OCCOC)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 B06 compound treatment 0.253 0.00614 0.3 0.252 0.00343 0.18 0.3387 0.9673 1970953 ChemDiv1_001436 CN(C)c1ccc(cc1)c2nc3cc(NC(=O)c4cc(ccc4Br)[N+](=O)[O-])ccc3o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 B07 compound treatment 0.259 0.0121 0.6 0.26 0.0114 0.59 0.8389 1.0 1970954 ChemDiv1_001437 COc1ccc(Br)cc1/C=C\2/N=C(OC2=O)c3cc(Cl)ccc3OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 B08 compound treatment 0.274 0.0271 1.34 0.272 0.0234 1.21 1.7982 0.9987 1970955 ChemDiv1_001438 Cc1ccc2nc(oc2c1)c3ccc(NC(=O)c4cc(Br)ccc4Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 B09 compound treatment 0.257 0.0101 0.5 0.26 0.0114 0.59 0.7693 0.9966 1970956 ChemDiv1_001439 CCCCOC(=O)c1ccc(NCN2C(=O)S/C(=C/c3ccc(cc3)C(=O)OC)/C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 B10 compound treatment 0.252 0.00514 0.25 0.255 0.00643 0.33 0.4131 0.9912 1970957 ChemDiv1_001440 CC(=O)c1cc2C3C=CCC3CN4C(C5CC=CC5c(c1)c42)c6cccc(c6)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 B11 compound treatment 0.268 0.0211 1.04 0.264 0.0154 0.79 1.298 0.9911 1939202 ChemDiv1_001441 COc1cc(/C=C/2\S\C(=N\C(=O)C)\NC2=O)ccc1Oc3ccc(cc3[N+](=O)[O-])C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 B12 compound treatment 0.262 0.0151 0.75 0.263 0.0144 0.74 1.0526 1.0 1970958 ChemDiv1_001442 O=C1S/C(=C/2\C(=O)N(Cc3ccccc3)c4ccccc24)/C(=O)N1Cc5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 B13 compound treatment 0.262 0.0151 0.75 0.261 0.0124 0.64 0.9798 0.9971 1970959 ChemDiv1_001443 CC1CCN(CC1)c2cc(N3CCC(C)CC3)c(cc2C=c4sc5nc6ccccc6n5c4=O)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 B14 compound treatment 0.253 0.00614 0.3 0.257 0.00843 0.43 0.5208 0.9844 1970960 ChemDiv1_001444 COc1cc(/C=C/2\N=C(OC2=O)c3ccc(C)c(C)c3)cc(Br)c1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 B15 compound treatment 0.259 0.0121 0.6 0.26 0.0114 0.59 0.8389 1.0 1648699 ChemDiv1_001445 Cc1c(Nc2nc3nonc3nc2Nc4cccc(Cl)c4)c(=O)n(c5ccccc5)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 B16 compound treatment 0.263 0.0161 0.79 0.265 0.0164 0.85 1.1602 0.9995 1970961 ChemDiv1_001446 Fc1ccccc1N2C(=O)C3C(C4CCC3C=C4)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 B17 compound treatment 0.266 0.0191 0.94 0.267 0.0184 0.95 1.3375 1.0 1970962 ChemDiv1_001447 Clc1ccc(Cn2cc(C=c3sc4nc5ccccc5n4c3=O)c(n2)c6ccccc6)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 B18 compound treatment 0.254 0.00714 0.35 0.256 0.00743 0.38 0.5192 0.9991 1970963 ChemDiv1_001448 COCCN(CCOC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3ccc(Br)cc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 B19 compound treatment 0.26 0.0131 0.65 0.253 0.00443 0.23 0.6189 0.902 1779025 ChemDiv1_001449 Cc1c(C)c(ccc1[N+](=O)[O-])c2ccc(o2)C3C4=C(CC(C)(C)CC4=O)OC5=C3C(=O)CC(C)(C)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 B20 compound treatment 0.257 0.0101 0.5 0.254 0.00543 0.28 0.5509 0.9625 1424093 ChemDiv1_001450 Nc1nc(SCC(=O)c2cc3ccccc3oc2=O)c(C#N)c(c4cccs4)c1C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 B21 compound treatment 0.259 0.0121 0.6 0.258 0.00943 0.49 0.7661 0.9947 1970964 ChemDiv1_001451 COc1cc(/C=C/2\SC(=O)NC2=O)ccc1Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 B22 compound treatment 0.244 -0.00286 -0.14 0.252 0.00343 0.18 0.0253 0.1119 1970965 ChemDiv1_001452 Fc1ccc(cc1)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 B23 mock treatment 0.256 0.00914 0.45 0.252 0.00343 0.18 0.4432 0.9166 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 B24 mock treatment 0.234 -0.0129 -0.63 0.244 -0.00457 -0.24 -0.6142 -0.9089 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 C01 compound treatment 0.211 -0.0359 -1.77 0.234 -0.0146 -0.75 -1.7792 -0.9272 1970966 ChemDiv1_001453 CCOc1ccc(cc1)C(=O)C(C)Sc2nnc(o2)c3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 C02 compound treatment 0.252 0.00514 0.25 0.252 0.00343 0.18 0.3039 0.9846 1970967 ChemDiv1_001454 COc1cc(/C=C\2/C(=NN(C2=O)c3ccc(Cl)c(c3)C(=O)O)C)cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 C03 compound treatment 0.246 -8.62E-4 -0.04 0.245 -0.00357 -0.18 -0.1599 -0.8482 1350375 ChemDiv1_001455 COC(=O)c1ccc(cc1)C2Nc3ccccc3-c4nnc(SC)nc4O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 C04 compound treatment 0.273 0.0261 1.29 0.254 0.00543 0.28 1.1081 0.8411 1970968 ChemDiv1_001456 COc1cc(/C=C/2\C(=NN(C2=O)c3ccc(Cl)c(Cl)c3)C)ccc1OCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 C05 compound treatment 0.304 0.0571 2.81 0.305 0.0564 2.91 4.0443 0.9999 1970969 ChemDiv1_001457 OC1(CC(=NN1c2cccc3cccnc23)c4ccccc4)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 C06 compound treatment 0.248 0.00114 0.06 0.248 -5.67E-4 -0.03 0.019 0.3008 1970970 ChemDiv1_001458 CC/1=NN(C(=O)\C1=C/c2ccc(o2)c3cccc(c3)[N+](=O)[O-])c4cccc(Br)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 C07 compound treatment 0.292 0.0451 2.22 0.295 0.0464 2.39 3.2623 0.9993 1970971 ChemDiv1_001459 CCCCSc1nnc-2c(OC(Nc3ccccc32)/C=C/c4ccco4)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 C08 compound treatment 0.28 0.0331 1.63 0.281 0.0324 1.67 2.3347 0.9999 1970972 ChemDiv1_001460 CC(=O)Nc1ccc(N/C=C/2\N=C(OC2=O)c3ccc(Br)cc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 C09 compound treatment 0.269 0.0221 1.09 0.269 0.0204 1.05 1.5148 0.9998 1970973 ChemDiv1_001461 CCCCSc1nnc-2c(OC(Nc3ccccc32)c4cc(Br)c(O)c(OC)c4)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 C10 compound treatment 0.252 0.00514 0.25 0.252 0.00343 0.18 0.3039 0.9846 1970974 ChemDiv1_001462 Brc1ccc(cc1)C2=N/C(=C\Nc3nc4ccccc4s3)/C(=O)O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 C11 compound treatment 0.332 0.0851 4.19 0.324 0.0754 3.88 5.7111 0.9993 1970975 ChemDiv1_001463 CCCCSc1nnc-2c(OC(Nc3ccccc32)c4cc5OCOc5cc4[N+](=O)[O-])n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 C12 compound treatment 0.264 0.0171 0.84 0.261 0.0124 0.64 1.0495 0.9907 1321338 ChemDiv1_001464 CCN(CC)c1ccc2cc(C(=O)NC(=O)C)c(=Nc3ccccc3OC)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 C13 compound treatment 0.249 0.00214 0.11 0.247 -0.00157 -0.08 0.0174 0.1314 1970976 ChemDiv1_001465 COc1ccc(/C=C/2\N=C(OC2=O)c3ccc(Br)cc3)cc1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 C14 compound treatment 0.545 0.298 14.68 0.506 0.257 13.25 19.7544 0.9987 1970977 ChemDiv1_001466 CCOc1ccc2S/C(=C/NCCc3ccccn3)/C(=O)c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 C15 compound treatment 0.243 -0.00386 -0.19 0.243 -0.00557 -0.29 -0.3371 -0.9802 1970978 ChemDiv1_001467 CCOc1cc(/C=C/2\N=C(OC2=O)c3cccc(C)c3)cc(Br)c1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 C16 compound treatment 0.28 0.0331 1.63 0.275 0.0264 1.36 2.1163 0.9959 1970979 ChemDiv1_001468 Oc1ccc(cc1NC(=O)CN2C(=O)S/C(=C\c3c(Cl)cccc3Cl)/C2=O)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 C17 compound treatment 0.257 0.0101 0.5 0.26 0.0114 0.59 0.7693 0.9966 1673693 ChemDiv1_001469 COc1ccccc1C(=O)Nc2ccc(cc2)c3nc4c(ccc5ccccc45)o3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 C18 compound treatment 0.252 0.00514 0.25 0.252 0.00343 0.18 0.3039 0.9846 1939649 ChemDiv1_001470 [O-][N+](=O)c1ccccc1C(=O)NN2C(=O)/C(=C\3/C(=O)Nc4ccc(Br)cc34)/SC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 C19 compound treatment 0.246 -8.62E-4 -0.04 0.246 -0.00257 -0.13 -0.1235 -0.8895 1970980 ChemDiv1_001471 Cc1ccc2oc(nc2c1)c3cc(NC(=O)c4ccc(cc4)C(C)(C)C)ccc3OC(=O)c5ccc(cc5)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 C20 compound treatment 0.252 0.00514 0.25 0.251 0.00243 0.13 0.2675 0.9474 1970981 ChemDiv1_001472 Cc1c(NC(=O)CN2C(=O)/C(=C/c3ccc(C)cc3)/SC2=S)c(=O)n(c4ccccc4)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 C21 compound treatment 0.247 1.38E-4 0.01 0.245 -0.00357 -0.18 -0.125 -0.6805 1970982 ChemDiv1_001473 COC(=O)c1cc(ccc1Cl)c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 C22 compound treatment 0.247 1.38E-4 0.01 0.246 -0.00257 -0.13 -0.0886 -0.6699 1937130 ChemDiv1_001474 COc1ccc(/C=C/2\SC(=S)N(CCCC(=O)Nc3c(C)n(C)n(c4ccccc4)c3=O)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 C23 mock treatment 0.243 -0.00386 -0.19 0.242 -0.00657 -0.34 -0.3735 -0.963 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 C24 mock treatment 0.232 -0.0149 -0.73 0.238 -0.0106 -0.54 -0.9023 -0.9893 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 D01 compound treatment 0.244 -0.00286 -0.14 0.25 0.00143 0.07 -0.0475 -0.2985 1938460 ChemDiv1_001475 Brc1ccc(/C=C/2\SC(=S)N(CC(=O)Nc3nccs3)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 D02 compound treatment 0.266 0.0191 0.94 0.265 0.0164 0.85 1.2647 0.9985 1970983 ChemDiv1_001476 [O-][N+](=O)c1ccccc1c2ccc(/C=C/3\S\C(=N\c4ccccc4)\NC3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 D03 compound treatment 0.288 0.0411 2.03 0.28 0.0314 1.62 2.577 0.9938 1970984 ChemDiv1_001477 [O-][N+](=O)c1ccc(cc1)N2CCN(CC2)/C=C/3\N=C(OC3=O)c4ccccc4Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 D04 compound treatment 0.303 0.0561 2.76 0.296 0.0474 2.44 3.6818 0.9981 1970985 ChemDiv1_001478 Oc1ccc(/C=C/2\S\C(=N\c3ccccc3Cl)\NC2=O)cc1[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 D05 compound treatment 0.268 0.0211 1.04 0.266 0.0174 0.9 1.3708 0.9973 1970986 ChemDiv1_001479 Oc1cc(NC(=O)c2nn3c(cc(nc3c2Cl)c4cccs4)C(F)(F)F)cc(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 D06 compound treatment 0.253 0.00614 0.3 0.253 0.00443 0.23 0.3751 0.9904 1970987 ChemDiv1_001480 COc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccc3oc(nc3c2)c4ccc(F)cc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 D07 compound treatment 0.289 0.0421 2.08 0.288 0.0394 2.03 2.903 0.9999 1970988 ChemDiv1_001481 COc1ccc2ccccc2c1/C=C\3/N=C(OC3=O)c4ccc(Cl)c(c4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 D08 compound treatment 0.285 0.0381 1.88 0.284 0.0354 1.82 2.6181 0.9999 1456110 ChemDiv1_001482 Cc1cc(C)c2oc(nc2c1)c3cccc(NC(=O)c4cc(Br)ccc4Cl)c3C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 D09 compound treatment 0.291 0.0441 2.17 0.291 0.0424 2.18 3.0819 1.0 1778514 ChemDiv1_001483 [O-][N+](=O)c1cccc(c1)C2Nc3ccccc3C(=O)N2c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 D10 compound treatment 0.254 0.00714 0.35 0.253 0.00443 0.23 0.41 0.9781 1718421 ChemDiv1_001484 CCOC(=O)CC1NCCc2c1[nH]c3ccc(OC)cc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 D11 compound treatment 0.26 0.0131 0.65 0.257 0.00843 0.43 0.7645 0.9812 1779831 ChemDiv1_001485 COc1ccc(cc1c2ccc(C=c3sc4nc5cc(C)c(C)cc5n4c3=O)o2)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 D12 compound treatment 0.303 0.0561 2.76 0.297 0.0484 2.49 3.7182 0.9987 1970989 ChemDiv1_001486 COc1ccc(/C=C/2\SC(=O)N(CC(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)C2=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 D13 compound treatment 0.294 0.0471 2.32 0.293 0.0444 2.29 3.2592 1.0 1594691 ChemDiv1_001487 CC1CCN(CC1)c2nc3nonc3nc2Nc4cccc(Br)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 D14 compound treatment 0.258 0.0111 0.55 0.257 0.00843 0.43 0.6949 0.9933 1970990 ChemDiv1_001488 CCCCOc1ccc(cc1)C2=N/C(=C\c3cc(OC)c(OC)c(OC)c3)/C(=O)O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 D15 compound treatment 0.257 0.0101 0.5 0.258 0.00943 0.49 0.6965 0.9999 1563015 ChemDiv1_001489 Fc1cccc(Cl)c1COc2ccc(C=c3sc4nc5ccccc5n4c3=O)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 D16 compound treatment 0.262 0.0151 0.75 0.26 0.0114 0.59 0.9434 0.9931 1923526 ChemDiv1_001490 Fc1ccc(cc1)N2C(=O)C3C(C4CCC3C=C4)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 D17 compound treatment 0.268 0.0211 1.04 0.267 0.0184 0.95 1.4072 0.9989 1571511 ChemDiv1_001491 COc1cc(ccc1OCc2c(F)cccc2Cl)C3C4=C(CC(C)(C)CC4=O)OC5=C3C(=O)CC(C)(C)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 D18 compound treatment 0.313 0.0661 3.26 0.312 0.0634 3.27 4.6125 1.0 1970991 ChemDiv1_001492 COCCN(CCOC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3c(C)cc(C)cc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 D19 compound treatment 0.254 0.00714 0.35 0.254 0.00543 0.28 0.4464 0.9936 1628991 ChemDiv1_001493 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccc(OCC(=O)O)cc4)C(=O)CC(C)(C)C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 D20 compound treatment 0.252 0.00514 0.25 0.254 0.00543 0.28 0.3767 0.9988 1970992 ChemDiv1_001494 COc1ccc(OC)c(/C=C(/C#N)\c2nc(cs2)c3cc4c(ccc5ccccc54)oc3=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 D21 compound treatment 0.259 0.0121 0.6 0.258 0.00943 0.49 0.7661 0.9947 1970993 ChemDiv1_001495 COc1cc(/C=C/2\SC(=O)N(C)C2=O)ccc1Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 D22 compound treatment 0.252 0.00514 0.25 0.25 0.00143 0.07 0.2311 0.8768 1970994 ChemDiv1_001496 Cc1ccc(s1)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 D23 mock treatment 0.254 0.00714 0.35 0.253 0.00443 0.23 0.41 0.9781 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 D24 mock treatment 0.246 -8.62E-4 -0.04 0.246 -0.00257 -0.13 -0.1235 -0.8895 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 E01 compound treatment 0.272 0.0251 1.24 0.272 0.0234 1.21 1.7285 0.9999 1970995 ChemDiv1_001497 COCCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)NC1c3ccc(OCc4ccccc4)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 E02 compound treatment 0.26 0.0131 0.65 0.258 0.00943 0.49 0.801 0.99 1970996 ChemDiv1_001498 CC/1=NN(C(=O)\C1=C/c2ccc(o2)c3cc(ccc3Cl)[N+](=O)[O-])c4ccc(Cl)c(c4)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 E03 compound treatment 0.276 0.0291 1.44 0.278 0.0294 1.52 2.0862 0.9996 1777012 ChemDiv1_001499 CSc1nnc-2c(OC(Nc3ccccc32)c4ccc(o4)[N+](=O)[O-])n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 E04 compound treatment 0.257 0.0101 0.5 0.255 0.00643 0.33 0.5873 0.9801 1970997 ChemDiv1_001500 CCOc1cc(/C=C/2\C(=NN(C2=O)c3ccc(Cl)c(Cl)c3)C)ccc1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 E05 compound treatment 0.261 0.0141 0.7 0.263 0.0144 0.74 1.0178 0.9995 1354321 ChemDiv1_001501 CSc1nnc-2c(OC(Nc3ccccc32)c4cc5OCOc5cc4Br)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 E06 compound treatment 0.269 0.0221 1.09 0.269 0.0204 1.05 1.5148 0.9998 1970998 ChemDiv1_001502 COc1ccc(c2ccc(/C=C\3/C(=NN(C3=O)c4cccc(Br)c4)C)o2)c(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 E07 compound treatment 0.26 0.0131 0.65 0.258 0.00943 0.49 0.801 0.99 1970999 ChemDiv1_001503 CCCCSc1nnc-2c(OC3(CCCCC3)Nc4ccccc42)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 E08 compound treatment 0.282 0.0351 1.73 0.283 0.0344 1.77 2.4772 0.9999 1971000 ChemDiv1_001504 OC(=O)c1ccc(Cl)cc1N/C=C/2\N=C(OC2=O)c3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 E09 compound treatment 0.269 0.0221 1.09 0.269 0.0204 1.05 1.5148 0.9998 1939372 ChemDiv1_001505 CCCCSc1nnc-2c(OC3(Nc4ccccc42)C(=O)Nc5ccc(F)cc53)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 E10 compound treatment 0.315 0.0681 3.36 0.306 0.0574 2.96 4.4638 0.998 1971001 ChemDiv1_001506 CCOC(=O)Cc1csc(N/C=C/2\N=C(OC2=O)c3ccc(Br)cc3)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 E11 compound treatment 0.251 0.00414 0.2 0.251 0.00243 0.13 0.2327 0.9727 1971002 ChemDiv1_001507 CC(C)C(N1C(=O)C2C3CC(C=C3)C2C1=O)C(=O)OCC(=O)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 E12 compound treatment 0.279 0.0321 1.58 0.273 0.0244 1.26 2.0087 0.9935 1357519 ChemDiv1_001508 COc1ccccc1N=c2oc3cc(OC(=O)C)ccc3cc2C(=O)NC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 E13 compound treatment 0.261 0.0141 0.7 0.261 0.0124 0.64 0.945 0.9991 1971003 ChemDiv1_001509 COc1ccc(/C=C/2\N=C(OC2=O)c3ccc(Cl)c(c3)[N+](=O)[O-])cc1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 E14 compound treatment 0.548 0.301 14.83 0.504 0.255 13.15 19.7861 0.9982 1971004 ChemDiv1_001510 CCCCCN/C=C\1/Sc2ccc(OCC)cc2C1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 E15 compound treatment 0.272 0.0251 1.24 0.269 0.0204 1.05 1.6193 0.9967 1971005 ChemDiv1_001511 CCOc1cc(/C=C/2\N=C(OC2=O)c3ccc(C)cc3)cc(Br)c1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 E16 compound treatment 0.258 0.0111 0.55 0.257 0.00843 0.43 0.6949 0.9933 1971006 ChemDiv1_001512 Clc1cccc(Cl)c1/C=C/2\SC(=O)N(CC(=O)Nc3cccnc3)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 E17 compound treatment 0.287 0.0401 1.98 0.285 0.0364 1.88 2.7241 0.9997 1971007 ChemDiv1_001513 [O-][N+](=O)c1ccc(Br)c(c1)C(=O)Nc2ccc(cc2)c3nc4cc(Cl)ccc4o3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 E18 compound treatment 0.32 0.0731 3.6 0.316 0.0674 3.47 5.0019 0.9998 1971008 ChemDiv1_001514 COc1ccccc1/C=C/2\SC(=S)N(CCC(=O)Nc3sc4CCCCc4c3C(=O)N)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 E19 compound treatment 0.283 0.0361 1.78 0.285 0.0364 1.88 2.5848 0.9997 1464314 ChemDiv1_001515 COc1cc(cc(OC)c1OC)C(=O)Nc2ccc3oc(nc3c2)c4ccccc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 E20 compound treatment 0.258 0.0111 0.55 0.259 0.0104 0.54 0.7677 0.9999 1971009 ChemDiv1_001516 Cc1c(NC(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)/SC2=S)c(=O)n(c4ccccc4)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 E21 compound treatment 0.259 0.0121 0.6 0.256 0.00743 0.38 0.6933 0.9768 1971010 ChemDiv1_001517 CCOC(=O)c1cc(ccc1Cl)c2ccc(/C=C/3\Sc4ccccc4C3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 E22 compound treatment 0.283 0.0361 1.78 0.281 0.0324 1.67 2.4392 0.9995 1936946 ChemDiv1_001518 COc1ccc(/C=C/2\SC(=S)N(CCCC(=O)NC3(CC4CC5CC(C4)C3)C5)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 E23 mock treatment 0.254 0.00714 0.35 0.254 0.00543 0.28 0.4464 0.9936 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 E24 mock treatment 0.252 0.00514 0.25 0.246 -0.00257 -0.13 0.0855 0.2995 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 F01 compound treatment 0.259 0.0121 0.6 0.267 0.0184 0.95 1.0937 0.9752 1951320 ChemDiv1_001519 Cc1ccc(/C=C/2\SC(=S)N(CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 F02 compound treatment 0.256 0.00914 0.45 0.257 0.00843 0.43 0.6252 0.9998 1971011 ChemDiv1_001520 COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 F03 compound treatment 0.276 0.0291 1.44 0.277 0.0284 1.46 2.0498 1.0 1971012 ChemDiv1_001521 OC(=O)c1cc(Br)ccc1N/C=C/2\N=C(OC2=O)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 F04 compound treatment 0.297 0.0501 2.47 0.299 0.0504 2.6 3.582 0.9997 1971013 ChemDiv1_001522 COc1ccc(/C=C/2\SC(=S)N(CC=C)C2=O)cc1Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 F05 compound treatment 0.271 0.0241 1.19 0.273 0.0244 1.26 1.7301 0.9996 1971014 ChemDiv1_001523 COc1cc(/C=C\2/N=C(OC2=O)c3ccccc3Br)cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 F06 compound treatment 0.259 0.0121 0.6 0.261 0.0124 0.64 0.8753 0.9994 1971015 ChemDiv1_001524 [O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2ccc3oc(nc3c2)c4ccc(F)cc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 F07 compound treatment 0.264 0.0171 0.84 0.264 0.0154 0.79 1.1587 0.9995 1971016 ChemDiv1_001525 COc1cc(/C=C\2/N=C(OC2=O)c3ccc(Cl)c(c3)[N+](=O)[O-])cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 F08 compound treatment 0.285 0.0381 1.88 0.282 0.0334 1.72 2.5453 0.999 1633314 ChemDiv1_001526 Oc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1c3nc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 F09 compound treatment 0.282 0.0351 1.73 0.281 0.0324 1.67 2.4044 0.9998 1971017 ChemDiv1_001527 Clc1ccc(NC(=O)C(=O)NCCN2CCN(CC2)S(=O)(=O)c3ccc4ccccc4c3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 F10 compound treatment 0.262 0.0151 0.75 0.262 0.0134 0.69 1.0162 0.9993 1971018 ChemDiv1_001528 Brc1ccc2NC(=O)/C(=C/3\SC(=O)N(Cc4ccccc4)C3=O)/c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 F11 compound treatment 0.262 0.0151 0.75 0.261 0.0124 0.64 0.9798 0.9971 1370321 ChemDiv1_001529 CCOc1cc(C=c2sc3nc4cc(C)c(C)cc4n3c2=O)ccc1OCc5ccc(Cl)cc5Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 F12 compound treatment 0.265 0.0181 0.89 0.263 0.0144 0.74 1.1571 0.9958 1922117 ChemDiv1_001530 O=C(CCN1C(=O)/C(=C/2\SC(=S)N(CCC(=O)Nc3nccs3)C2=O)/SC1=S)Nc4nccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 F13 compound treatment 0.267 0.0201 0.99 0.267 0.0184 0.95 1.3724 0.9998 1673024 ChemDiv1_001531 Cc1ccc2c(nc3sc(=Cc4ccccc4OCc5ccc(Cl)cc5Cl)c(=O)n32)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 F14 compound treatment 0.271 0.0241 1.19 0.272 0.0234 1.21 1.6937 1.0 1971019 ChemDiv1_001532 CCCCOc1ccc(cc1)C2=N/C(=C\c3cc(OC)c(OC)cc3OC)/C(=O)O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 F15 compound treatment 0.276 0.0291 1.44 0.275 0.0264 1.36 1.977 0.9996 1127619 ChemDiv1_001533 COc1ccc(OC)c(Nc2nc3nonc3nc2N4CCCCC4)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 F16 compound treatment 0.293 0.0461 2.27 0.287 0.0384 1.98 3.0059 0.9976 1971020 ChemDiv1_001534 FC(F)(F)c1cccc(c1)N2C(=O)C3C(C4CCC3C=C4)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 F17 compound treatment 0.273 0.0261 1.29 0.271 0.0224 1.15 1.7269 0.9985 1316313 ChemDiv1_001535 COc1cc(C=c2sc3nc4cc(C)c(C)cc4n3c2=O)ccc1OCc5ccc(C)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 F18 compound treatment 0.279 0.0321 1.58 0.267 0.0184 0.95 1.7903 0.9701 1971021 ChemDiv1_001536 COCCN(CCOC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3ccc(cc3s2)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 F19 compound treatment 0.26 0.0131 0.65 0.261 0.0124 0.64 0.9102 1.0 1971022 ChemDiv1_001537 COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OC(=O)c3cc(F)c(F)cc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 F20 compound treatment 0.263 0.0161 0.79 0.262 0.0134 0.69 1.051 0.9976 1971023 ChemDiv1_001538 COc1cc(/C=C(/C#N)\c2nc(cs2)c3cc4c(ccc5ccccc54)oc3=O)ccc1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 F21 compound treatment 0.261 0.0141 0.7 0.259 0.0104 0.54 0.8722 0.9918 1971024 ChemDiv1_001539 COc1cc(/C=C/2\NC(=S)NC2=O)ccc1Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 F22 compound treatment 0.274 0.0271 1.34 0.268 0.0194 1.0 1.6526 0.9898 1971025 ChemDiv1_001540 Clc1ccc(cc1)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 F23 mock treatment 0.256 0.00914 0.45 0.255 0.00643 0.33 0.5524 0.9886 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 F24 mock treatment 0.252 0.00514 0.25 0.254 0.00543 0.28 0.3767 0.9988 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 G01 compound treatment 0.243 -0.00386 -0.19 0.246 -0.00257 -0.13 -0.2279 -0.9842 1971026 ChemDiv1_001541 COc1cc(/C=C/2\N=C(OC2=O)c3ccccc3F)cc(Br)c1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 G02 compound treatment 0.31 0.0631 3.11 0.291 0.0424 2.18 3.7436 0.9851 1971027 ChemDiv1_001542 COc1cc(/C=C/2\Sc3ccccc3C2=O)cc([N+](=O)[O-])c1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 G03 compound treatment 0.263 0.0161 0.79 0.264 0.0154 0.79 1.1238 1.0 1141968 ChemDiv1_001543 CSc1nnc-2c(OC(Nc3ccccc32)c4cccs4)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 G04 compound treatment 0.26 0.0131 0.65 0.262 0.0134 0.69 0.9466 0.9994 1971028 ChemDiv1_001544 COc1cc(/C=C/2\C(=NN(C2=O)c3ccc(cc3)C(=O)C)C)ccc1OCc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 G05 compound treatment 0.262 0.0151 0.75 0.262 0.0134 0.69 1.0162 0.9993 1267976 ChemDiv1_001545 COc1cc(cc(Br)c1O)C2Nc3ccccc3-c4nnc(SC)nc4O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 G06 compound treatment 0.274 0.0271 1.34 0.272 0.0234 1.21 1.7982 0.9987 1971029 ChemDiv1_001546 COc1ccc(cc1[N+](=O)[O-])c2ccc(/C=C\3/C(=NN(C3=O)c4cccc(Br)c4)C)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 G07 compound treatment 0.294 0.0471 2.32 0.297 0.0484 2.49 3.4048 0.9994 1971030 ChemDiv1_001547 CCCCSc1nnc-2c(OC(Nc3ccccc32)/C=C/c4ccccc4[N+](=O)[O-])n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 G08 compound treatment 0.275 0.0281 1.39 0.276 0.0274 1.41 1.9786 1.0 1971031 ChemDiv1_001548 Cc1ccc(cc1N/C=C/2\N=C(OC2=O)c3ccc(Br)cc3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 G09 compound treatment 0.277 0.0301 1.48 0.278 0.0294 1.52 2.1211 0.9999 1971032 ChemDiv1_001549 CCCCSc1nnc-2c(OC(Nc3ccccc32)c4cc5OCOc5cc4Cl)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 G10 compound treatment 0.28 0.0331 1.63 0.28 0.0314 1.62 2.2983 1.0 1971033 ChemDiv1_001550 CCOc1ccc2nc(N/C=C/3\N=C(OC3=O)c4ccc(Br)cc4)sc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 G11 compound treatment 0.257 0.0101 0.5 0.254 0.00543 0.28 0.5509 0.9625 1971034 ChemDiv1_001551 OC(=O)C(CCCCN1C(=O)C2C3CC(C=C3)C2C1=O)N4C(=O)C5C6CC(C=C6)C5C4=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 G12 compound treatment 0.273 0.0261 1.29 0.268 0.0194 1.0 1.6177 0.9922 1458887 ChemDiv1_001552 COc1ccc2oc(=Nc3ccc(Cl)cc3Cl)c(cc2c1)C(=O)NC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 G13 compound treatment 0.27 0.0231 1.14 0.268 0.0194 1.0 1.5132 0.9979 1971035 ChemDiv1_001553 CCOc1cc(/C=C/2\N=C(OC2=O)c3ccc(Br)cc3)ccc1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 G14 compound treatment 0.422 0.175 8.63 0.415 0.166 8.57 12.1581 1.0 1971036 ChemDiv1_001554 CCOc1ccc2S/C(=C/NCc3ccc(OC)cc3)/C(=O)c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 G15 compound treatment 0.256 0.00914 0.45 0.255 0.00643 0.33 0.5524 0.9886 1971037 ChemDiv1_001555 CCOc1cc(/C=C/2\N=C(OC2=O)c3cccc(F)c3)cc(Br)c1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 G16 compound treatment 0.262 0.0151 0.75 0.261 0.0124 0.64 0.9798 0.9971 1971038 ChemDiv1_001556 CN1CCN(CC1)NC(=O)CN2C(=O)S/C(=C\c3c(Cl)cccc3Cl)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 G17 compound treatment 0.277 0.0301 1.48 0.275 0.0264 1.36 2.0119 0.9991 1971039 ChemDiv1_001557 [O-][N+](=O)c1ccc(Br)c(c1)C(=O)Nc2ccc3oc(nc3c2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 G18 compound treatment 0.266 0.0191 0.94 0.265 0.0164 0.85 1.2647 0.9985 1971040 ChemDiv1_001558 CCOC(=O)c1c(NC(=O)CCN2C(=O)/C(=C/c3ccc(OC)cc3)/SC2=S)sc4CCCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 G19 compound treatment 0.264 0.0171 0.84 0.263 0.0144 0.74 1.1223 0.998 1731773 ChemDiv1_001559 COc1cc(cc(OC)c1OC)C(=O)Nc2ccc3oc(nc3c2)c4cccc(Cl)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 G20 compound treatment 0.256 0.00914 0.45 0.255 0.00643 0.33 0.5524 0.9886 1971041 ChemDiv1_001560 Cc1c(NC(=O)CCN2C(=O)/C(=C/c3c(Cl)cccc3Cl)/SC2=S)c(=O)n(c4ccccc4)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 G21 compound treatment 0.255 0.00814 0.4 0.254 0.00543 0.28 0.4812 0.9845 1923605 ChemDiv1_001561 CCOC(=O)c1cc(ccc1Cl)c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 G22 compound treatment 0.546 0.299 14.73 0.497 0.248 12.79 19.4616 0.9975 1971042 ChemDiv1_001562 OC(=O)CN1C(=O)/C(=C/2\SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)/c4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 G23 mock treatment 0.256 0.00914 0.45 0.253 0.00443 0.23 0.4796 0.9505 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 G24 mock treatment 0.243 -0.00386 -0.19 0.248 -5.67E-4 -0.03 -0.1551 -0.8061 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 H01 compound treatment 0.439 0.192 9.46 0.435 0.186 9.6 13.4782 1.0 1937878 ChemDiv1_001563 CN(C)CCOC(=O)CCN1C(=O)/C(=C/c2ccc(C)cc2)/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 H02 compound treatment 0.305 0.0581 2.86 0.308 0.0594 3.06 4.1883 0.9995 1929709 ChemDiv1_001564 OC(=O)CN1C(=O)/C(=C/c2ccc(OC(=O)c3ccccc3I)cc2)/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 H03 compound treatment 0.256 0.00914 0.45 0.258 0.00943 0.49 0.6616 0.9993 1971043 ChemDiv1_001565 COc1ccc(cc1[N+](=O)[O-])C2=N/C(=C\c3cc(OC)c(OC)c(OC)c3)/C(=O)O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 H04 compound treatment 0.269 0.0221 1.09 0.269 0.0204 1.05 1.5148 0.9998 1940924 ChemDiv1_001566 COc1ccccc1NCN2C(=O)S/C(=C/c3ccc(OC)c(OC)c3)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 H05 compound treatment 0.264 0.0171 0.84 0.263 0.0144 0.74 1.1223 0.998 1971044 ChemDiv1_001567 [O-][N+](=O)c1cccc(/C=C/C/2=N/C(=C/Nc3cc(Cl)ccc3Cl)/C(=O)O2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 H06 compound treatment 0.281 0.0341 1.68 0.275 0.0264 1.36 2.1512 0.9945 1971045 ChemDiv1_001568 CN(C)c1ccc(cc1)c2nc3cc(NC(=O)c4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])ccc3o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 H07 compound treatment 0.265 0.0181 0.89 0.264 0.0154 0.79 1.1935 0.9983 1249283 ChemDiv1_001569 O=c1oc(nc2sc(c(Cc3ccccc3)c12)c4ccccc4)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 H08 compound treatment 0.278 0.0311 1.53 0.275 0.0264 1.36 2.0467 0.9982 1388936 ChemDiv1_001570 Cc1ccc2oc(nc2c1)c3ccc(NC(=O)c4cc(Br)ccc4Cl)cc3O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 H09 compound treatment 0.286 0.0391 1.93 0.286 0.0374 1.93 2.7257 1.0 1971046 ChemDiv1_001571 CCCCc1ccc(NC(=O)C(=O)NCCN2CCN(Cc3ccc(cc3)[N+](=O)[O-])CC2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 H10 compound treatment 0.291 0.0441 2.17 0.293 0.0444 2.29 3.1547 0.9997 1971047 ChemDiv1_001572 CN1C(=O)/C(=C/2\SC(=S)N(NC(=O)c3ccccc3)C2=O)/c4cc(Br)ccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 H11 compound treatment 0.255 0.00814 0.4 0.25 0.00143 0.07 0.3356 0.8234 1696073 ChemDiv1_001573 COc1cc(C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4)c(Br)cc1OCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 H12 compound treatment 0.491 0.244 12.02 0.477 0.228 11.76 16.8181 0.9999 1971048 ChemDiv1_001574 Cc1c(N2C(=O)/C(=C\3/C(=O)N(CC(=O)O)c4ccccc34)/SC2=S)c(=O)n(c5ccccc5)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 H13 compound treatment 0.329 0.0821 4.05 0.333 0.0844 4.35 5.9342 0.9994 1239511 ChemDiv1_001575 COc1ccccc1Nc2nc3nonc3nc2Nc4cccc(Br)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 H14 compound treatment 0.284 0.0371 1.83 0.282 0.0334 1.72 2.5105 0.9995 1971049 ChemDiv1_001576 CCCCOc1ccc(cc1)C2=N/C(=C\c3ccc(OC)c(OC(=O)C)c3)/C(=O)O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 H15 compound treatment 0.289 0.0421 2.08 0.286 0.0374 1.93 2.8302 0.9993 1225400 ChemDiv1_001577 Cc1cc(C)n(n1)c2nc3nonc3nc2Nc4cccc(C)c4C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 H16 compound treatment 0.258 0.0111 0.55 0.257 0.00843 0.43 0.6949 0.9933 1971050 ChemDiv1_001578 CCOc1ccc(N2C(=O)C3C(C4CCC3C=C4)C2=O)c(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 H17 compound treatment 0.318 0.0711 3.5 0.318 0.0694 3.57 5.0051 1.0 1429629 ChemDiv1_001579 COc1ccccc1Nc2nc3nonc3nc2Nc4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 H18 compound treatment 0.286 0.0391 1.93 0.285 0.0364 1.88 2.6893 0.9999 1971051 ChemDiv1_001580 Clc1ccc(Sc2c(nc3ccccn23)c4ccc(Br)cc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 H19 compound treatment 0.259 0.0121 0.6 0.258 0.00943 0.49 0.7661 0.9947 1971052 ChemDiv1_001581 CC(=O)/N=C/1\NC(=O)\C(=C\c2ccc(o2)c3ccc(C)c(Cl)c3)\S1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 H20 compound treatment 0.252 0.00514 0.25 0.252 0.00343 0.18 0.3039 0.9846 1971053 ChemDiv1_001582 Oc1ccc(cc1)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 H21 compound treatment 0.256 0.00914 0.45 0.255 0.00643 0.33 0.5524 0.9886 1927163 ChemDiv1_001583 COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1Oc3ccc(cn3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 H22 compound treatment 0.257 0.0101 0.5 0.256 0.00743 0.38 0.6237 0.9914 1971054 ChemDiv1_001584 Cc1ccc(cc1)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 H23 mock treatment 0.258 0.0111 0.55 0.257 0.00843 0.43 0.6949 0.9933 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 H24 mock treatment 0.249 0.00214 0.11 0.247 -0.00157 -0.08 0.0174 0.1314 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 I01 compound treatment 0.247 1.38E-4 0.01 0.248 -5.67E-4 -0.03 -0.0158 -0.5283 1971055 ChemDiv1_001585 Cc1onc(c1C2=N/C(=C\c3ccc(Br)cc3)/C(=O)O2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 I02 compound treatment 0.346 0.0991 4.88 0.32 0.0714 3.68 6.053 0.9902 1971056 ChemDiv1_001586 COc1cc(/C=C\2/C(=NN(C2=O)c3ccc(Cl)c(c3)C(=O)O)C)cc([N+](=O)[O-])c1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 I03 compound treatment 0.3 0.0531 2.62 0.3 0.0514 2.65 3.7229 1.0 1971057 ChemDiv1_001587 CSc1nnc-2c(OC3(Nc4ccccc42)C(=O)Nc5ccc(cc53)[N+](=O)[O-])n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 I04 compound treatment 0.259 0.0121 0.6 0.259 0.0104 0.54 0.8025 0.9986 1971058 ChemDiv1_001588 COc1ccc(cc1[N+](=O)[O-])c2ccc(/C=C\3/C(=NN(C3=O)c4cccc(Cl)c4)C)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 I05 compound treatment 0.271 0.0241 1.19 0.269 0.0204 1.05 1.5845 0.9981 1435908 ChemDiv1_001589 CSc1nnc-2c(OC(Nc3ccccc32)c4c[nH]c5ccccc45)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 I06 compound treatment 0.282 0.0351 1.73 0.285 0.0364 1.88 2.55 0.9992 1971059 ChemDiv1_001590 Brc1cc(Br)c(OCC=C)c(/C=C/2\NC(=S)NC2=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 I07 compound treatment 0.283 0.0361 1.78 0.286 0.0374 1.93 2.6212 0.9992 1971060 ChemDiv1_001591 CCCCSc1nnc-2c(OC(Nc3ccccc32)c4cc5OCOc5cc4Br)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 I08 compound treatment 0.264 0.0171 0.84 0.271 0.0224 1.15 1.4135 0.9881 1971061 ChemDiv1_001592 COc1ccc(N/C=C/2\N=C(OC2=O)c3ccc(Br)cc3)c(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 I09 compound treatment 0.281 0.0341 1.68 0.279 0.0304 1.57 2.2968 0.9994 1939339 ChemDiv1_001593 CCCCSc1nnc-2c(OC3(Nc4ccccc42)C(=O)Nc5ccc(Br)cc53)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 I10 compound treatment 0.303 0.0561 2.76 0.307 0.0584 3.01 4.0822 0.9991 1971062 ChemDiv1_001594 COc1ccc(cc1)C2=NN(C(C2)c3cccc(c3)[N+](=O)[O-])C(=O)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 I11 compound treatment 0.257 0.0101 0.5 0.257 0.00843 0.43 0.6601 0.9976 1971063 ChemDiv1_001595 COC(=O)C(CCCCN1C(=O)C2C3CC(C=C3)C2C1=O)N4C(=O)C5C6CC(C=C6)C5C4=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 I12 compound treatment 0.265 0.0181 0.89 0.267 0.0184 0.95 1.3027 0.9995 1340784 ChemDiv1_001596 COc1cccc2cc(C(=O)NC(=O)C)c(=Nc3ccc(Cl)cc3Cl)oc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 I13 compound treatment 0.263 0.0161 0.79 0.263 0.0144 0.74 1.0874 0.9994 1971064 ChemDiv1_001597 CCOc1cc(/C=C/2\N=C(OC2=O)c3ccc(Cl)c(c3)[N+](=O)[O-])ccc1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 I14 compound treatment 0.267 0.0201 0.99 0.27 0.0214 1.1 1.4816 0.9986 1971065 ChemDiv1_001598 Cc1ccc(Cc2cnc(NC(=O)CCN3C(=O)/C(=C/c4ccc(F)cc4)/SC3=S)s2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 I15 compound treatment 0.27 0.0231 1.14 0.262 0.0134 0.69 1.2948 0.9713 1971066 ChemDiv1_001599 CCOc1cc(/C=C/2\N=C(OC2=O)c3ccc(F)cc3)cc(Br)c1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 I16 compound treatment 0.282 0.0351 1.73 0.286 0.0374 1.93 2.5864 0.9986 1926317 ChemDiv1_001600 Cc1cc(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)/SC2=S)no1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 I17 compound treatment 0.278 0.0311 1.53 0.28 0.0314 1.62 2.2287 0.9996 1971067 ChemDiv1_001601 [O-][N+](=O)c1ccc(Br)c(c1)C(=O)Nc2ccc3oc(nc3c2)c4ccncc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 I18 compound treatment 0.306 0.0591 2.91 0.304 0.0554 2.85 4.0775 0.9999 1971068 ChemDiv1_001602 COc1ccccc1/C=C/2\SC(=O)N(CCC(=O)Nc3ccc(cc3)S(=O)(=O)N)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 I19 compound treatment 0.266 0.0191 0.94 0.265 0.0164 0.85 1.2647 0.9985 1553634 ChemDiv1_001603 COc1cc(cc(OC)c1OC)C(=O)Nc2ccc3oc(nc3c2)c4cccc(Br)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 I20 compound treatment 0.262 0.0151 0.75 0.264 0.0154 0.79 1.089 0.9995 1936743 ChemDiv1_001604 Cc1c(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3)/SC2=S)c(=O)n(c4ccccc4)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 I21 compound treatment 0.261 0.0141 0.7 0.259 0.0104 0.54 0.8722 0.9918 1971069 ChemDiv1_001605 COc1ccc(/C=C\2/C(=NN(C2=O)c3ccc(Cl)c(c3)C(=O)O)C)cc1Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 I22 compound treatment 0.26 0.0131 0.65 0.26 0.0114 0.59 0.8738 0.9989 1971070 ChemDiv1_001606 NC(=O)c1c(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)cc3Cl)/C2=O)sc4CCCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 I23 mock treatment 0.257 0.0101 0.5 0.256 0.00743 0.38 0.6237 0.9914 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 I24 mock treatment 0.248 0.00114 0.06 0.249 4.33E-4 0.02 0.0554 0.9185 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 J01 compound treatment 0.259 0.0121 0.6 0.258 0.00943 0.49 0.7661 0.9947 1971071 ChemDiv1_001607 CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3OC)/SC2=S)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 J02 compound treatment 0.277 0.0301 1.48 0.271 0.0224 1.15 1.8662 0.9923 1971072 ChemDiv1_001608 Cc1cc(ccc1[N+](=O)[O-])c2ccc(/C=C/3\SC(=S)N(CC(=O)O)C3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 J03 compound treatment 0.252 0.00514 0.25 0.252 0.00343 0.18 0.3039 0.9846 1971073 ChemDiv1_001609 COc1ccc(cc1[N+](=O)[O-])C2=N/C(=C\c3cc(OC)c(OC)cc3OC)/C(=O)O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 J04 compound treatment 0.274 0.0271 1.34 0.27 0.0214 1.1 1.7254 0.9955 1971074 ChemDiv1_001610 COc1ccc(/C=C\2/SC(=O)N(CNc3cccc(Cl)c3)C2=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 J05 compound treatment 0.256 0.00914 0.45 0.258 0.00943 0.49 0.6616 0.9993 1971075 ChemDiv1_001611 COc1cc(cc(OC)c1OC)C2=N/C(=C\c3cccc(Br)c3)/C(=O)O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 J06 compound treatment 0.27 0.0231 1.14 0.267 0.0184 0.95 1.4768 0.9959 1971076 ChemDiv1_001612 CN(C)c1ccc(cc1)c2nc3cc(NC(=O)c4ccc(Cl)c(c4)[N+](=O)[O-])ccc3o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 J07 compound treatment 0.274 0.0271 1.34 0.274 0.0254 1.31 1.871 0.9999 1971077 ChemDiv1_001613 CCN(CC)Cc1cc(NC2=NS(=O)(=O)c3ccccc23)ccc1OC(=O)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 J08 compound treatment 0.278 0.0311 1.53 0.279 0.0304 1.57 2.1923 0.9999 1971078 ChemDiv1_001614 Cc1cc(C)c2oc(nc2c1)c3ccc(NC(=O)c4cc(ccc4Cl)[N+](=O)[O-])cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 J09 compound treatment 0.279 0.0321 1.58 0.271 0.0224 1.15 1.9359 0.988 1971079 ChemDiv1_001615 Fc1ccc(NC(=O)C(=O)NCCN2CCN(CC2)C(=O)c3ccc(Br)cc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 J10 compound treatment 0.253 0.00614 0.3 0.255 0.00643 0.33 0.448 0.999 1971080 ChemDiv1_001616 CCOC(=O)CN1C(=O)/C(=C/2\SC(=S)N(C2=O)c3ccc(Br)cc3)/c4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 J11 compound treatment 0.257 0.0101 0.5 0.257 0.00843 0.43 0.6601 0.9976 1554593 ChemDiv1_001617 Cc1cc2nc3sc(=Cc4cc5OCOc5cc4Br)c(=O)n3c2cc1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 J12 compound treatment 0.279 0.0321 1.58 0.276 0.0274 1.41 2.1179 0.9984 1971081 ChemDiv1_001618 FC(F)(F)c1cccc(CC2S/C(=N\c3ccc(Br)cc3)/NC2=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 J13 compound treatment 0.285 0.0381 1.88 0.289 0.0404 2.08 2.8001 0.9987 1309228 ChemDiv1_001619 CCOc1cc(ccc1OCc2ccc(Cl)cc2Cl)C3C4=C(CC(C)(C)CC4=O)OC5=C3C(=O)CC(C)(C)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 J14 compound treatment 0.293 0.0461 2.27 0.274 0.0254 1.31 2.5327 0.9657 1971082 ChemDiv1_001620 CCCCOc1ccc(cc1)C2=N/C(=C\c3ccc(OC(=O)C)c(OC)c3)/C(=O)O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 J15 compound treatment 0.276 0.0291 1.44 0.277 0.0284 1.46 2.0498 1.0 1935200 ChemDiv1_001621 COc1cc(cc(Br)c1OC)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 J16 compound treatment 0.254 0.00714 0.35 0.256 0.00743 0.38 0.5192 0.9991 1971083 ChemDiv1_001622 CCc1ccccc1N2C(=O)C3C(C4CCC3C=C4)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 J17 compound treatment 0.295 0.0481 2.37 0.29 0.0414 2.13 3.1848 0.9986 1226599 ChemDiv1_001623 Oc1ccc(Nc2nc3nonc3nc2Nc4cccc(Br)c4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 J18 compound treatment 0.255 0.00814 0.4 0.254 0.00543 0.28 0.4812 0.9845 1936306 ChemDiv1_001624 OC(=O)CSc1nncc2ccccc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 J19 compound treatment 0.26 0.0131 0.65 0.255 0.00643 0.33 0.6917 0.9516 1971084 ChemDiv1_001625 CN1C(=O)N(C)C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3)c4ccccc24)C1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 J20 compound treatment 0.307 0.0601 2.96 0.305 0.0564 2.91 4.1487 1.0 1222782 ChemDiv1_001626 CCOc1ccc(cc1)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 J21 compound treatment 0.257 0.0101 0.5 0.259 0.0104 0.54 0.7329 0.9993 1971085 ChemDiv1_001627 CN1C(=O)N(C)C(=O)C(=Cc2ccc(Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])cc2)C1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 J22 compound treatment 0.253 0.00614 0.3 0.25 0.00143 0.07 0.2659 0.8546 1971086 ChemDiv1_001628 COc1cc(ccc1O)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 J23 mock treatment 0.253 0.00614 0.3 0.248 -5.67E-4 -0.03 0.1931 0.6359 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 J24 mock treatment 0.227 -0.0199 -0.98 0.249 4.33E-4 0.02 -0.676 -0.6908 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 K01 compound treatment 0.263 0.0161 0.79 0.263 0.0144 0.74 1.0874 0.9994 1971087 ChemDiv1_001629 COc1ccc(Cl)cc1C2=N/C(=C\Nc3ccc(Br)cc3)/C(=O)O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 K02 compound treatment 0.256 0.00914 0.45 0.259 0.0104 0.54 0.698 0.9961 1971088 ChemDiv1_001630 COc1cc(Br)c(/C=C\2/C(=NN(C2=O)c3cccc(Cl)c3)C)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 K03 compound treatment 0.285 0.0381 1.88 0.288 0.0394 2.03 2.7637 0.9992 1142965 ChemDiv1_001631 CSc1nnc-2c(OC3(Nc4ccccc42)C(=O)Nc5ccc(Br)cc53)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 K04 compound treatment 0.3 0.0531 2.62 0.291 0.0424 2.18 3.3953 0.996 1971089 ChemDiv1_001632 COc1cc(/C=C/2\C(=NN(C2=O)c3ccc(Br)cc3)C)cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 K05 compound treatment 0.268 0.0211 1.04 0.268 0.0194 1.0 1.4436 0.9998 1971090 ChemDiv1_001633 CSc1nnc-2c(OC(Nc3ccccc32)c4ccccc4C(F)(F)F)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 K06 compound treatment 0.266 0.0191 0.94 0.264 0.0154 0.79 1.2283 0.9964 1971091 ChemDiv1_001634 [O-][N+](=O)c1ccc(c2ccc(/C=C\3/NC(=S)NC3=O)o2)c(Br)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 K07 compound treatment 0.264 0.0171 0.84 0.263 0.0144 0.74 1.1223 0.998 1971092 ChemDiv1_001635 CCCCSc1nnc-2c(OC(Nc3ccccc32)c4ccccn4)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 K08 compound treatment 0.288 0.0411 2.03 0.277 0.0284 1.46 2.4678 0.9873 1971093 ChemDiv1_001636 Cc1ccc(N/C=C/2\N=C(OC2=O)c3ccc(Br)cc3)c(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 K09 compound treatment 0.33 0.0831 4.09 0.328 0.0794 4.09 5.787 1.0 1971094 ChemDiv1_001637 CCCCSc1nnc-2c(OC(Nc3ccccc32)c4c(C)nn(c4O)c5ccccc5)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 K10 compound treatment 0.268 0.0211 1.04 0.266 0.0174 0.9 1.3708 0.9973 1940695 ChemDiv1_001638 COc1ccc(cc1)C2=NN(CN3C(=O)C(=O)c4cc(Br)ccc34)C(C2)c5cccc(c5)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 K11 compound treatment 0.256 0.00914 0.45 0.256 0.00743 0.38 0.5888 0.9967 1234726 ChemDiv1_001639 CC(N1C(=O)C2C3CC(C=C3)C2C1=O)C(=O)OCC(=O)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 K12 compound treatment 0.28 0.0331 1.63 0.281 0.0324 1.67 2.3347 0.9999 1711162 ChemDiv1_001640 CC(=O)NC(=O)c1cc2ccc(OC(=O)C)cc2oc1=Nc3ccc(Cl)cc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 K13 compound treatment 0.26 0.0131 0.65 0.258 0.00943 0.49 0.801 0.99 1971095 ChemDiv1_001641 CCOc1cc(/C=C/2\N=C(OC2=O)c3cc(F)c(F)cc3Cl)ccc1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 K14 compound treatment 0.267 0.0201 0.99 0.268 0.0194 1.0 1.4088 1.0 1926429 ChemDiv1_001642 Fc1ccc(/C=C/2\SC(=S)N(CCC(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 K15 compound treatment 0.257 0.0101 0.5 0.258 0.00943 0.49 0.6965 0.9999 1971096 ChemDiv1_001643 CCOc1cc(/C=C/2\N=C(OC2=O)c3ccccc3Cl)cc(Br)c1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 K16 compound treatment 0.329 0.0821 4.05 0.342 0.0934 4.81 6.2618 0.9963 1971097 ChemDiv1_001644 [O-][N+](=O)c1ccccc1/C=C/2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 K17 compound treatment 0.264 0.0171 0.84 0.267 0.0184 0.95 1.2679 0.9983 1971098 ChemDiv1_001645 Cc1cc2nc(oc2cc1C)c3cccc(NC(=O)c4cc(ccc4Br)[N+](=O)[O-])c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 K18 compound treatment 0.259 0.0121 0.6 0.261 0.0124 0.64 0.8753 0.9994 1971099 ChemDiv1_001646 Cc1c(NC(=O)CCN2C(=O)/C(=C/c3ccc(C)cc3)/SC2=S)c(=O)n(c4ccccc4)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 K19 compound treatment 0.273 0.0261 1.29 0.274 0.0254 1.31 1.8361 1.0 1162246 ChemDiv1_001647 COc1cc(cc(OC)c1OC)C(=O)Nc2ccc3oc(nc3c2)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 K20 compound treatment 0.314 0.0671 3.31 0.308 0.0594 3.06 4.5017 0.9992 1971100 ChemDiv1_001648 CCN(CC)CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3)/SC2=S)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 K21 compound treatment 0.251 0.00414 0.2 0.252 0.00343 0.18 0.2691 0.9975 1971101 ChemDiv1_001649 COc1ccc(Br)cc1/C=C\2/C(=NN(C2=O)c3ccc(Cl)c(c3)C(=O)O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 K22 compound treatment 0.259 0.0121 0.6 0.258 0.00943 0.49 0.7661 0.9947 1971102 ChemDiv1_001650 COc1cccc(/C=C/2\SC(=S)N(CCC(=O)N3c4ccccc4Sc5ccccc35)C2=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 K23 mock treatment 0.251 0.00414 0.2 0.254 0.00543 0.28 0.3419 0.9879 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 K24 mock treatment 0.248 0.00114 0.06 0.256 0.00743 0.38 0.3102 0.8021 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 L01 compound treatment 0.273 0.0261 1.29 0.278 0.0294 1.52 1.9818 0.9967 1971103 ChemDiv1_001651 COc1ccccc1/C=C/2\SC(=S)N(CCC(=O)Nc3ccc(cc3)S(=O)(=O)N)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 L02 compound treatment 0.886 0.639 31.48 0.836 0.587 30.24 43.6432 0.9998 1923725 ChemDiv1_001652 COc1cc(/C=C/2\SC(=S)N(CC(=O)O)C2=O)ccc1OCC=C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 L03 compound treatment 0.366 0.119 5.87 0.352 0.103 5.32 7.9144 0.9988 1971104 ChemDiv1_001653 COc1ccc(/C=C/2\N=C(OC2=O)c3ccc(OC)c(c3)[N+](=O)[O-])cc1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 L04 compound treatment 0.289 0.0421 2.08 0.288 0.0394 2.03 2.903 0.9999 1941025 ChemDiv1_001654 COc1ccc(/C=C\2/SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 L05 compound treatment 0.259 0.0121 0.6 0.26 0.0114 0.59 0.8389 1.0 1971105 ChemDiv1_001655 CCCCOc1ccc(/C=C\2/N=C(OC2=O)c3cc(OC)c(OC)c(OC)c3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 L06 compound treatment 0.272 0.0251 1.24 0.271 0.0224 1.15 1.6921 0.9994 1971106 ChemDiv1_001656 [O-][N+](=O)c1ccc(C(=O)Nc2ccc3oc(nc3c2)c4ccc(F)cc4Cl)c(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 L07 compound treatment 0.248 0.00114 0.06 0.249 4.33E-4 0.02 0.0554 0.9185 1971107 ChemDiv1_001657 FC(F)(F)c1ccc(Cl)c(c1)N2C(=O)C3C(C4CCC3C=C4)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 L08 compound treatment 0.266 0.0191 0.94 0.266 0.0174 0.9 1.3011 0.9997 1591336 ChemDiv1_001658 Cc1ccc(cc1NC(=O)c2ccc3ccccc3c2)c4nc5ccccc5s4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 L09 compound treatment 0.311 0.0641 3.16 0.275 0.0264 1.36 3.196 0.9292 1971108 ChemDiv1_001659 COc1ccc(NC(=O)C(=O)NCCN2CCN(CC2)C(=O)c3ccc(Br)cc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 L10 compound treatment 0.264 0.0171 0.84 0.267 0.0184 0.95 1.2679 0.9983 1594758 ChemDiv1_001660 Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 L11 compound treatment 0.285 0.0381 1.88 0.281 0.0324 1.67 2.5089 0.9983 1416414 ChemDiv1_001661 CC1CCCN(C1)c2nc3nonc3nc2Nc4ccccc4F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 L12 compound treatment 0.277 0.0301 1.48 0.275 0.0264 1.36 2.0119 0.9991 1781388 ChemDiv1_001662 Cc1ccc2n(CC(O)CN3C(=O)c4ccccc4S3(=O)=O)c(c(c5ccccc5)c2c1)c6ccccc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 L13 compound treatment 0.294 0.0471 2.32 0.292 0.0434 2.24 3.2228 0.9998 1971109 ChemDiv1_001663 CCOc1cc(cc(Br)c1OC)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 L14 compound treatment 0.301 0.0541 2.67 0.28 0.0314 1.62 3.0297 0.9714 1971110 ChemDiv1_001664 CCCCOc1ccc(cc1)C2=N/C(=C\c3ccc(OC(=O)C)c(OC(=O)C)c3)/C(=O)O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 L15 compound treatment 0.26 0.0131 0.65 0.261 0.0124 0.64 0.9102 1.0 1504341 ChemDiv1_001665 COc1ccc(OC)c(Nc2nc3nonc3nc2Nc4c(C)n(C)n(c5ccccc5)c4=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 L16 compound treatment 0.262 0.0151 0.75 0.262 0.0134 0.69 1.0162 0.9993 1971111 ChemDiv1_001666 Cc1ccc(N2C(=O)C3C(C4CCC3C=C4)C2=O)c(Br)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 L17 compound treatment 0.271 0.0241 1.19 0.27 0.0214 1.1 1.6209 0.9993 1233322 ChemDiv1_001667 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccc(OCc5ccc(Cl)cc5Cl)cc4)C(=O)CC(C)(C)C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 L18 compound treatment 0.259 0.0121 0.6 0.259 0.0104 0.54 0.8025 0.9986 1430318 ChemDiv1_001668 OC(=O)C(Sc1nncc2ccccc12)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 L19 compound treatment 0.302 0.0551 2.72 0.295 0.0464 2.39 3.6106 0.998 1287431 ChemDiv1_001669 COc1cc(ccc1O)c2nc3ccccn3c2N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 L20 compound treatment 0.278 0.0311 1.53 0.275 0.0264 1.36 2.0467 0.9982 1714703 ChemDiv1_001670 COc1ccc(cc1OCc2ccccc2)C3CC(=O)NC(=C3C#N)SCC(=O)OC(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 L21 compound treatment 0.26 0.0131 0.65 0.259 0.0104 0.54 0.8374 0.9957 1971112 ChemDiv1_001671 CN1C(=O)S/C(=C\c2ccc(Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])cc2)/C1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 L22 compound treatment 0.258 0.0111 0.55 0.258 0.00943 0.49 0.7313 0.9982 1971113 ChemDiv1_001672 CCc1ccc(cc1)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 L23 mock treatment 0.259 0.0121 0.6 0.257 0.00843 0.43 0.7297 0.9877 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 L24 mock treatment 0.254 0.00714 0.35 0.253 0.00443 0.23 0.41 0.9781 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 M01 compound treatment 0.241 -0.00586 -0.29 0.243 -0.00557 -0.29 -0.4068 -1.0 1971114 ChemDiv1_001673 COc1cc(/C=C/2\N=C(OC2=O)c3ccc(Cl)c(c3)[N+](=O)[O-])cc(Br)c1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 M02 compound treatment 0.253 0.00614 0.3 0.255 0.00643 0.33 0.448 0.999 1971115 ChemDiv1_001674 CCCCOC(=O)c1cc(ccc1Cl)c2ccc(C=C3C(=O)NC(=O)NC3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 M03 compound treatment 0.26 0.0131 0.65 0.258 0.00943 0.49 0.801 0.99 1391270 ChemDiv1_001675 CSc1nnc-2c(OC3(CCCCC3)Nc4ccccc42)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 M04 compound treatment 0.258 0.0111 0.55 0.258 0.00943 0.49 0.7313 0.9982 1971116 ChemDiv1_001676 CC/1=NN(C(=O)\C1=C/c2ccc(o2)c3cccc(c3)[N+](=O)[O-])c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 M05 compound treatment 0.268 0.0211 1.04 0.267 0.0184 0.95 1.4072 0.9989 1544231 ChemDiv1_001677 CCSc1nnc-2c(OC(Nc3ccccc32)c4cc(OC)c(O)c(OC)c4)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 M06 compound treatment 0.345 0.0981 4.83 0.323 0.0744 3.83 6.1274 0.9934 1971117 ChemDiv1_001678 CCCCc1ccc(N/C=C/2\N=C(OC2=O)c3ccc(Br)cc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 M07 compound treatment 0.29 0.0431 2.12 0.288 0.0394 2.03 2.9378 0.9997 1939610 ChemDiv1_001679 CCCCSc1nnc-2c(OC(Nc3ccccc32)/C=C/c4ccc(o4)[N+](=O)[O-])n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 M08 compound treatment 0.273 0.0261 1.29 0.272 0.0234 1.21 1.7633 0.9995 1971118 ChemDiv1_001680 COc1cc(ccc1N/C=C/2\N=C(OC2=O)c3ccc(Br)cc3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 M09 compound treatment 0.263 0.0161 0.79 0.261 0.0124 0.64 1.0146 0.9942 1971119 ChemDiv1_001681 CCCCSc1nnc-2c(OC(Nc3ccccc32)c4ccc(OCC(=O)O)cc4)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 M10 compound treatment 1.588 1.34 66.05 1.58 1.33 68.54 95.1752 0.9998 1971120 ChemDiv1_001682 OC(=O)CN1C(=O)/C(=C/Nc2ccccc2)/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 M11 compound treatment 0.253 0.00614 0.3 0.254 0.00543 0.28 0.4116 0.9992 1971121 ChemDiv1_001683 COc1cc(/C=C/2\N=C(OC2=O)c3cc(F)c(F)cc3Cl)cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 M12 compound treatment 0.256 0.00914 0.45 0.256 0.00743 0.38 0.5888 0.9967 1189005 ChemDiv1_001684 CCOc1cccc2cc(C(=O)NC(=O)C)c(=Nc3ccc(Cl)cc3Cl)oc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 M13 compound treatment 0.26 0.0131 0.65 0.262 0.0134 0.69 0.9466 0.9994 1971122 ChemDiv1_001685 COc1ccc(Br)cc1/C=C/2\N=C(OC2=O)c3ccc(Cl)c(c3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 M14 compound treatment 0.266 0.0191 0.94 0.266 0.0174 0.9 1.3011 0.9997 1971123 ChemDiv1_001686 CCOC(=O)c1c(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)/SC2=S)sc4CCCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 M15 compound treatment 0.252 0.00514 0.25 0.25 0.00143 0.07 0.2311 0.8768 1971124 ChemDiv1_001687 CCOc1cc(/C=C/2\N=C(OC2=O)c3cccc(Cl)c3)cc(Br)c1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 M16 compound treatment 0.356 0.109 5.38 0.367 0.118 6.1 8.1122 0.998 1971125 ChemDiv1_001688 Brc1ccc(cc1)C(=O)NN2C(=O)/C(=C\3/C(=O)Nc4ccccc34)/SC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 M17 compound treatment 0.257 0.0101 0.5 0.262 0.0134 0.69 0.8421 0.9872 1971126 ChemDiv1_001689 [O-][N+](=O)c1ccc(Br)c(c1)C(=O)Nc2ccc(Cl)c(c2)c3nc4ccccc4o3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 M18 compound treatment 0.296 0.0491 2.42 0.295 0.0464 2.39 3.4016 1.0 1971127 ChemDiv1_001690 CN1CCN(CC1)C(=O)CCN2C(=O)/C(=C\c3ccc(Cl)cc3Cl)/SC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 M19 compound treatment 0.266 0.0191 0.94 0.274 0.0254 1.31 1.5924 0.987 1466069 ChemDiv1_001691 COc1cc(cc(OC)c1OC)C(=O)Nc2ccc3oc(nc3c2)c4cccc5ccccc45 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 M20 compound treatment 0.299 0.0521 2.57 0.299 0.0504 2.6 3.6517 1.0 1971128 ChemDiv1_001692 CCN(CC)CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3ccccc3)/SC2=S)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 M21 compound treatment 0.258 0.0111 0.55 0.257 0.00843 0.43 0.6949 0.9933 1971129 ChemDiv1_001693 COc1cc(/C=C\2/C(=NN(C2=O)c3ccc(Cl)c(c3)C(=O)O)C)c(cc1OC)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 M22 compound treatment 0.261 0.0141 0.7 0.263 0.0144 0.74 1.0178 0.9995 1937467 ChemDiv1_001694 COc1ccc(/C=C/2\SC(=S)N(CCCCCC(=O)Nc3ccccc3C(=O)O)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 M23 mock treatment 0.253 0.00614 0.3 0.253 0.00443 0.23 0.3751 0.9904 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 M24 mock treatment 0.242 -0.00486 -0.24 0.248 -5.67E-4 -0.03 -0.19 -0.7874 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 N01 compound treatment 0.51 0.263 12.96 0.508 0.259 13.36 18.6083 0.9999 1936789 ChemDiv1_001695 COc1ccccc1/C=C/2\SC(=S)N(CCC(=O)OCCN(C)C)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 N02 compound treatment 0.376 0.129 6.36 0.355 0.106 5.48 8.3719 0.9972 1971130 ChemDiv1_001696 COc1ccc(/C=C/2\SC(=S)N(CC(=O)O)C2=O)cc1Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 N03 compound treatment 0.258 0.0111 0.55 0.256 0.00743 0.38 0.6585 0.9845 1971131 ChemDiv1_001697 COc1ccc(cc1[N+](=O)[O-])C2=N/C(=C\c3coc4c(Cl)cc(Cl)cc4c3=O)/C(=O)O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 N04 compound treatment 0.262 0.0151 0.75 0.256 0.00743 0.38 0.7978 0.952 1971132 ChemDiv1_001698 Clc1ccccc1/C=C\2/SC(=S)N(CN3CCOCC3)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 N05 compound treatment 0.552 0.305 15.03 0.559 0.31 15.98 21.9276 0.9995 1971133 ChemDiv1_001699 OC(=O)COc1ccc(N/C=C/2\N=C(OC2=O)c3ccc(Br)cc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 N06 compound treatment 0.274 0.0271 1.34 0.279 0.0304 1.57 2.053 0.9969 1725434 ChemDiv1_001700 COc1cc(cc(OC)c1OC)C(=O)Nc2ccc3oc(nc3c2)c4cccc(C)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 N07 compound treatment 0.259 0.0121 0.6 0.258 0.00943 0.49 0.7661 0.9947 1971134 ChemDiv1_001701 COc1cc(ccc1N2C(=O)C3C(C4CCC3C=C4)C2=O)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 N08 compound treatment 0.292 0.0451 2.22 0.281 0.0324 1.67 2.7527 0.99 1971135 ChemDiv1_001702 CC(=O)c1ccc2NC(C3CC=CC3c2c1)c4cccc5ccccc45 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 N09 compound treatment 0.255 0.00814 0.4 0.255 0.00643 0.33 0.5176 0.9955 1971136 ChemDiv1_001703 Clc1ccccc1C(=O)N2CCN(CCNC(=O)C(=O)NCc3ccccc3)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 N10 compound treatment 0.329 0.0821 4.05 0.335 0.0864 4.45 6.007 0.9989 1941436 ChemDiv1_001704 COc1cc(/C=C/2\SC(=O)N(C2=O)c3c(C)n(C)n(c4ccccc4)c3=O)ccc1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 N11 compound treatment 0.254 0.00714 0.35 0.252 0.00343 0.18 0.3736 0.9494 1321302 ChemDiv1_001705 COc1cc(C=c2sc3nc4cc(C)c(C)cc4n3c2=O)ccc1OCc5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 N12 compound treatment 0.288 0.0411 2.03 0.272 0.0234 1.21 2.2857 0.9693 1971137 ChemDiv1_001706 COc1ccc(Cl)cc1C2=N/C(=C\Nc3ccc(C)cc3Br)/C(=O)O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 N13 compound treatment 0.319 0.0721 3.55 0.32 0.0714 3.68 5.1127 0.9999 1645993 ChemDiv1_001707 COc1ccccc1Nc2nc3nonc3nc2Nc4ccc(C)c(Cl)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 N14 compound treatment 0.261 0.0141 0.7 0.26 0.0114 0.59 0.9086 0.9965 1971138 ChemDiv1_001708 COc1ccc(cc1)c2nc3c4ccccc4ccn3c2C(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 N15 compound treatment 0.259 0.0121 0.6 0.26 0.0114 0.59 0.8389 1.0 1206298 ChemDiv1_001709 CCOC(=O)COc1cc(Br)c(C=c2sc3nc4ccccc4n3c2=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 N16 compound treatment 0.273 0.0261 1.29 0.27 0.0214 1.1 1.6905 0.9971 1971139 ChemDiv1_001710 CCN(CC)c1ccc(/C=C\2/N=C(OC2=O)c3cc(OC)c(OC)c(OC)c3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 N17 compound treatment 0.283 0.0361 1.78 0.285 0.0364 1.88 2.5848 0.9997 1696698 ChemDiv1_001711 Cc1cc2nc3sc(=Cc4ccc(o4)c5ccccc5C(=O)O)c(=O)n3c2cc1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 N18 compound treatment 0.294 0.0471 2.32 0.306 0.0574 2.96 3.7324 0.9928 1971140 ChemDiv1_001712 Cc1ccc(C(=O)CSc2nc(N)c(C#N)c(c3cccs3)c2C#N)c(C)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 N19 compound treatment 0.335 0.0881 4.34 0.333 0.0844 4.35 6.1432 1.0 1971141 ChemDiv1_001713 CN1C(=O)N(C)C(=O)C(=Cc2cc(C)n(c2C)c3ccc(Br)cc3)C1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 N20 compound treatment 0.266 0.0191 0.94 0.267 0.0184 0.95 1.3375 1.0 1971142 ChemDiv1_001714 Clc1ccccc1C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 N21 compound treatment 0.266 0.0191 0.94 0.265 0.0164 0.85 1.2647 0.9985 1971143 ChemDiv1_001715 CC/1=NN(C(=O)\C1=C/c2ccc(Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])cc2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 N22 compound treatment 0.26 0.0131 0.65 0.261 0.0124 0.64 0.9102 1.0 1971144 ChemDiv1_001716 Nc1nc(SCC(=O)c2ccc(F)cc2)c(C#N)c(c1C#N)c3ccc(O)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 N23 mock treatment 0.255 0.00814 0.4 0.256 0.00743 0.38 0.554 0.9997 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 N24 mock treatment 0.245 -0.00186 -0.09 0.244 -0.00457 -0.24 -0.2311 -0.9157 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 O01 compound treatment 0.223 -0.0239 -1.18 0.229 -0.0196 -1.01 -1.5433 -0.9971 1971145 ChemDiv1_001717 Cc1onc(c1C2=N/C(=C\c3ccc(cc3)[N+](=O)[O-])/C(=O)O2)c4ccccc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 O02 compound treatment 0.252 0.00514 0.25 0.245 -0.00357 -0.18 0.0491 0.1571 1971146 ChemDiv1_001718 CCCCOC(=O)c1cc(ccc1Cl)c2ccc(C=C3C(=O)NC(=S)NC3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 O03 compound treatment 0.263 0.0161 0.79 0.257 0.00843 0.43 0.869 0.9595 1247047 ChemDiv1_001719 CSc1nnc-2c(OC(Nc3ccccc32)c4ccc(OCC(=O)O)cc4)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 O04 compound treatment 0.255 0.00814 0.4 0.247 -0.00157 -0.08 0.2264 0.5537 1971147 ChemDiv1_001720 COc1cc(/C=C/2\C(=NN(C2=O)c3ccc(Br)cc3)C)cc([N+](=O)[O-])c1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 O05 compound treatment 0.269 0.0221 1.09 0.265 0.0164 0.85 1.3692 0.9921 1450348 ChemDiv1_001721 CSc1nnc-2c(OC(Nc3ccccc32)c4ccccn4)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 O06 compound treatment 0.257 0.0101 0.5 0.256 0.00743 0.38 0.6237 0.9914 1971148 ChemDiv1_001722 COC(=O)c1ccc(N/C=C/2\N=C(OC2=O)c3ccc(Br)cc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 O07 compound treatment 0.265 0.0181 0.89 0.254 0.00543 0.28 0.8295 0.8861 1971149 ChemDiv1_001723 CCCCSc1nnc-2c(OC(Nc3ccccc32)C4CCC(=CC4)C)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 O08 compound treatment 0.265 0.0181 0.89 0.258 0.00943 0.49 0.9751 0.959 1971150 ChemDiv1_001724 [O-][N+](=O)c1ccc(Cl)c(N/C=C/2\N=C(OC2=O)c3ccc(Br)cc3)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 O09 compound treatment 0.266 0.0191 0.94 0.263 0.0144 0.74 1.1919 0.9931 1971151 ChemDiv1_001725 CSc1nnc-2c(OC(Nc3ccccc32)/C=C/c4ccccc4[N+](=O)[O-])n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 O10 compound treatment 0.245 -0.00186 -0.09 0.248 -5.67E-4 -0.03 -0.0855 -0.8882 1971152 ChemDiv1_001726 CCOC(=O)c1ccc(Nc2nc(cs2)c3cc4cc(Br)ccc4oc3=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 O11 compound treatment 0.258 0.0111 0.55 0.256 0.00743 0.38 0.6585 0.9845 1971153 ChemDiv1_001727 COc1cc(/C=C/2\N=C(OC2=O)c3cccc(Br)c3)ccc1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 O12 compound treatment 0.648 0.401 19.76 0.656 0.407 20.98 28.802 0.9996 1971154 ChemDiv1_001728 CCOc1ccc2S/C(=C/NCc3cccnc3)/C(=O)c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 O13 compound treatment 0.262 0.0151 0.75 0.26 0.0114 0.59 0.9434 0.9931 1971155 ChemDiv1_001729 Cc1ccc(cc1[N+](=O)[O-])C2=N/C(=C\c3ccc(o3)c4cccc(c4)[N+](=O)[O-])/C(=O)O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 O14 compound treatment 0.278 0.0311 1.53 0.277 0.0284 1.46 2.1195 0.9997 1971156 ChemDiv1_001730 NC(=O)c1c(NC(=O)CN2C(=O)S/C(=C\c3ccc(F)cc3)/C2=O)sc4CCCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 O15 compound treatment 0.252 0.00514 0.25 0.251 0.00243 0.13 0.2675 0.9474 1971157 ChemDiv1_001731 CCOc1cc(/C=C/2\N=C(OC2=O)c3ccc(Cl)cc3)cc(Br)c1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 O16 compound treatment 0.344 0.0971 4.78 0.334 0.0854 4.4 6.493 0.9991 1971158 ChemDiv1_001732 COc1cc(/C=C/2\SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 O17 compound treatment 0.33 0.0831 4.09 0.322 0.0734 3.78 5.5686 0.9992 1971159 ChemDiv1_001733 CCCOc1cccc(c1)C(=O)Nc2ccc(OC(=O)c3cccc(OCCC)c3)c(c2)c4nc5ccccc5o4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 O18 compound treatment 0.248 0.00114 0.06 0.252 0.00343 0.18 0.1646 0.8878 1971160 ChemDiv1_001734 Cc1c(NC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3Cl)/SC2=S)c(=O)n(c4ccccc4)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 O19 compound treatment 0.282 0.0351 1.73 0.28 0.0314 1.62 2.368 0.9994 1361344 ChemDiv1_001735 COc1cc(cc(OC)c1OC)C(=O)Nc2ccc3oc(nc3c2)c4ccc5ccccc5c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 O20 compound treatment 0.244 -0.00286 -0.14 0.249 4.33E-4 0.02 -0.0839 -0.5879 1971161 ChemDiv1_001736 Cc1c(NC(=O)CN2C(=O)S/C(=C\c3ccccc3)/C2=O)c(=O)n(c4ccccc4)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 O21 compound treatment 0.256 0.00914 0.45 0.249 4.33E-4 0.02 0.334 0.7412 1971162 ChemDiv1_001737 CC/1=NN(C(=O)\C1=C/c2ccc(OCc3ccccc3)cc2)c4ccc(Cl)c(c4)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 O22 compound treatment 0.262 0.0151 0.75 0.253 0.00443 0.23 0.6886 0.8831 1971163 ChemDiv1_001738 Clc1ccc(OCC(=O)NN2C(=O)/C(=C/3\C(=O)Nc4ccccc34)/SC2=S)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 O23 mock treatment 0.239 -0.00786 -0.39 0.251 0.00243 0.13 -0.1852 -0.4551 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 O24 mock treatment 0.213 -0.0339 -1.67 0.243 -0.00557 -0.29 -1.382 -0.8166 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 P01 compound treatment 0.195 -0.0519 -2.55 0.214 -0.0346 -1.78 -3.0645 -0.9844 1971164 ChemDiv1_001739 [O-][N+](=O)c1ccc(cc1)N2CCN(CC2)/C=C/3\N=C(OC3=O)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 P02 compound treatment 0.243 -0.00386 -0.19 0.244 -0.00457 -0.24 -0.3007 -0.9945 1923659 ChemDiv1_001740 [O-][N+](=O)c1ccc(COc2ccccc2/C=C/3\SC(=N)NC3=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 P03 compound treatment 0.239 -0.00786 -0.39 0.24 -0.00857 -0.44 -0.5857 -0.9979 1971165 ChemDiv1_001741 COc1ccc(cc1[N+](=O)[O-])C2=N/C(=C\c3ccc(OC(=O)C)c(OC)c3)/C(=O)O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 P04 compound treatment 0.249 0.00214 0.11 0.245 -0.00357 -0.18 -0.0554 -0.2616 1940244 ChemDiv1_001742 CCOc1ccc(/C=C\2/SC(=S)N(CN3CCOCC3)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 P05 compound treatment 0.234 -0.0129 -0.63 0.238 -0.0106 -0.54 -0.8326 -0.9971 1971166 ChemDiv1_001743 COc1ccc(Br)cc1/C=C\2/N=C(OC2=O)c3ccc(C)c(c3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 P06 compound treatment 0.256 0.00914 0.45 0.251 0.00243 0.13 0.4068 0.8708 1560654 ChemDiv1_001744 COc1cc(cc(OC)c1OC)C(=O)Nc2ccc3oc(nc3c2)c4ccc(C)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 P07 compound treatment 0.267 0.0201 0.99 0.265 0.0164 0.85 1.2996 0.9969 1971167 ChemDiv1_001745 COc1ccc(N2C(=O)C3C(C2=O)C4(C)C(=O)C3(C)C(=C4c5ccccc5)c6ccccc6)c(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 P08 compound treatment 0.263 0.0161 0.79 0.263 0.0144 0.74 1.0874 0.9994 1971168 ChemDiv1_001746 CC(=O)c1cc2C3C=CCC3CN4C(C5CC=CC5c(c1)c42)c6ccc(Br)cc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 P09 compound treatment 0.266 0.0191 0.94 0.266 0.0174 0.9 1.3011 0.9997 1971169 ChemDiv1_001747 Cc1ccc(NC(=O)C(=O)NCCN2CCNCC2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 P10 compound treatment 0.241 -0.00586 -0.29 0.243 -0.00557 -0.29 -0.4068 -1.0 1971170 ChemDiv1_001748 CN1C(=O)/C(=C/2\SC(=O)N(Cc3ccccc3)C2=O)/c4cc(Br)ccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 P11 compound treatment 0.251 0.00414 0.2 0.238 -0.0106 -0.54 -0.2405 -0.4141 1971171 ChemDiv1_001749 CC1CCN(CC1)c2ccc(C=c3sc4nc5cc(C)c(C)cc5n4c3=O)cc2[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 P12 compound treatment 0.275 0.0281 1.39 0.257 0.00843 0.43 1.287 0.8862 1971172 ChemDiv1_001750 COc1ccc(Cl)cc1C2=N/C(=C\Nc3ccc(Br)cn3)/C(=O)O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 P13 compound treatment 0.252 0.00514 0.25 0.263 0.0144 0.74 0.7043 0.8973 1349687 ChemDiv1_001751 COc1ccc(OC)c(Nc2nc3nonc3nc2Nc4cc(OC)ccc4OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 P14 compound treatment 0.249 0.00214 0.11 0.245 -0.00357 -0.18 -0.0554 -0.2616 1588542 ChemDiv1_001752 CC1CCc2c(C1)sc3nc(oc(=O)c23)c4ccco4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 P15 compound treatment 0.261 0.0141 0.7 0.265 0.0164 0.85 1.0906 0.9953 1971173 ChemDiv1_001753 CC(=O)/N=C/1\NC(=O)\C(=C\c2cn(nc2c3ccccc3)C(=O)C)\S1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 P16 compound treatment 0.283 0.0361 1.78 0.279 0.0304 1.57 2.3664 0.998 1971174 ChemDiv1_001754 COCCN(CCOC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3ccc(OC)cc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 P17 compound treatment 0.242 -0.00486 -0.24 0.237 -0.0116 -0.6 -0.5904 -0.9199 1939162 ChemDiv1_001755 COc1cc(/C=C/2\Sc3ccccc3C2=O)ccc1OCC#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 P18 compound treatment 0.266 0.0191 0.94 0.271 0.0224 1.15 1.4831 0.9949 1971175 ChemDiv1_001756 [O-][N+](=O)c1ccccc1C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 P19 compound treatment 0.25 0.00314 0.15 0.244 -0.00457 -0.24 -0.057 -0.2024 1971176 ChemDiv1_001757 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 P20 compound treatment 0.266 0.0191 0.94 0.254 0.00543 0.28 0.8643 0.8791 1971177 ChemDiv1_001758 COc1cccc(c1)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 P21 compound treatment 0.342 0.0951 4.69 0.324 0.0754 3.88 6.0593 0.9956 1971178 ChemDiv1_001759 Oc1c(Br)cc(/C=C/2\NC(=S)NC2=O)cc1Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 P22 compound treatment 0.258 0.0111 0.55 0.257 0.00843 0.43 0.6949 0.9933 1971179 ChemDiv1_001760 CC1CCC2(CC1)C(C#N)C(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 P23 mock treatment 0.23 -0.0169 -0.83 0.241 -0.00757 -0.39 -0.8627 -0.9405 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.591 P24 mock treatment 0.189 -0.0579 -2.85 0.199 -0.0496 -2.55 -3.8195 -0.9985 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 A01 compound treatment 0.187 -0.0626 -3.08 0.181 -0.0671 -3.46 -4.6249 -0.9984 1261250 ChemDiv1_001761 OC1OC(Oc2ccc3c(=O)c(coc3c2)c4ccc(Br)cc4)C(O)C(O)C1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 A02 compound treatment 0.219 -0.0306 -1.51 0.205 -0.0431 -2.22 -2.6368 -0.9822 1971180 ChemDiv1_001762 CCOc1cc(ccc1O)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)OCCOc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 A03 compound treatment 0.216 -0.0336 -1.66 0.204 -0.0441 -2.27 -2.7776 -0.9879 1664521 ChemDiv1_001763 CCCc1cc2c(=O)c(c3ccc(o3)C(=O)OCC)c(oc2cc1OC(=O)C)C(=O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 A04 compound treatment 0.196 -0.0536 -2.64 0.195 -0.0531 -2.74 -3.8018 -0.9998 1971181 ChemDiv1_001764 OC(=O)CSc1nnc(c2ccccc2)n1CC=C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 A05 compound treatment 0.249 -6.21E-4 -0.03 0.246 -0.00214 -0.11 -0.0994 -0.8706 1971182 ChemDiv1_001765 CCN(CC)CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C\c3ccc(OC)cc3)/SC2=S)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 A06 compound treatment 0.199 -0.0506 -2.49 0.199 -0.0491 -2.53 -3.5517 -1.0 1971183 ChemDiv1_001766 COC(=O)c1cc(ccc1Cl)N2C(=O)C3C(C4CCC3C=C4)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 A07 compound treatment 0.234 -0.0156 -0.77 0.23 -0.0181 -0.93 -1.2043 -0.9954 1971184 ChemDiv1_001767 CCN(CC)CCOC(=O)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3)/C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 A08 compound treatment 0.22 -0.0296 -1.46 0.202 -0.0461 -2.38 -2.7111 -0.9726 1719906 ChemDiv1_001768 COc1ccccc1N2C(=O)C3C(C2=O)C4(C)OC3(C)C=C4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 A09 compound treatment 0.215 -0.0346 -1.71 0.209 -0.0391 -2.01 -2.6305 -0.9966 1971185 ChemDiv1_001769 CCOc1ccc(cc1)C2SCC(=O)N2c3c(C)n(C)n(c4ccccc4)c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 A10 compound treatment 0.209 -0.0406 -2.0 0.204 -0.0441 -2.27 -3.0214 -0.998 1971186 ChemDiv1_001770 Clc1ccc(cc1C(=O)OCC=C)c2ccc(C=C3C(=O)NC(=S)NC3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 A11 compound treatment 0.208 -0.0416 -2.05 0.21 -0.0381 -1.96 -2.8378 -0.9998 1971187 ChemDiv1_001771 CC1=C(C(NC(=O)N1)c2cccc(Oc3ccccc3)c2)C(=O)OCCOc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 A12 compound treatment 0.244 -0.00562 -0.28 0.238 -0.0101 -0.52 -0.5648 -0.956 1971188 ChemDiv1_001772 CCCCCCCOC(=O)C1=C(C)NC(=O)NC1c2cc(OC)c(OC)c(OC)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 A13 compound treatment 0.232 -0.0176 -0.87 0.23 -0.0181 -0.93 -1.2739 -0.9993 1971189 ChemDiv1_001773 COc1cc(/C=C/2\N=C(OC2=O)c3c(C)onc3c4ccccc4)cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 A14 compound treatment 0.228 -0.0216 -1.06 0.227 -0.0211 -1.09 -1.5225 -0.9999 1136554 ChemDiv1_001774 COc1ccc(cc1)C(=O)COC(=O)c2ccc(cc2)N3C(=O)C4CC=CCC4C3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 A15 compound treatment 0.202 -0.0476 -2.35 0.213 -0.0351 -1.81 -2.9376 -0.9918 1971190 ChemDiv1_001775 Cc1onc(c1C2=N/C(=C\c3coc4ccc(Cl)cc4c3=O)/C(=O)O2)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 A16 compound treatment 0.204 -0.0456 -2.25 0.21 -0.0381 -1.96 -2.9771 -0.9977 1971191 ChemDiv1_001776 CC(=O)n1cc(/C=C/2\N=C(OC2=O)c3ccccc3C)c4cc(Br)ccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 A17 compound treatment 0.221 -0.0286 -1.41 0.203 -0.0451 -2.32 -2.6399 -0.9713 1971192 ChemDiv1_001777 CCOc1ccc(/C=C/2\N=C(OC2=O)c3cc(ccc3Cl)[N+](=O)[O-])c(OC(=O)C)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 A18 compound treatment 0.209 -0.0406 -2.0 0.213 -0.0351 -1.81 -2.6938 -0.9987 1680738 ChemDiv1_001778 CCOc1ccc(cc1)c2cc(C(=O)Nc3ccc(cc3)S(=O)(=O)NC(=O)C)c4ccccc4n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 A19 compound treatment 0.203 -0.0466 -2.3 0.203 -0.0451 -2.32 -3.2668 -1.0 1499675 ChemDiv1_001779 CCOc1cccc2cc(c3nnc(Nc4ccc(Cl)cc4Cl)s3)c(=O)oc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 A20 compound treatment 0.274 0.0244 1.2 0.275 0.0269 1.38 1.8269 0.9975 1278637 ChemDiv1_001780 COc1cc(Br)c(cc1OC)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)OC4CCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 A21 compound treatment 0.211 -0.0386 -1.9 0.197 -0.0511 -2.63 -3.2066 -0.9873 1555644 ChemDiv1_001781 COC(=O)C1=C(C)NC2=C(C1c3cc(OC)c(OC)c(OC)c3)C(=O)CC(C2)c4ccccc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 A22 compound treatment 0.193 -0.0566 -2.79 0.231 -0.0171 -0.88 -2.5958 -0.8875 1971193 ChemDiv1_001782 CCCCCOC(=O)C1=C(C)NC2=C(C1c3cc(OC)c(OC)cc3Br)C(=O)CCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 A23 mock treatment 0.205 -0.0446 -2.2 0.202 -0.0461 -2.38 -3.2335 -0.9992 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 A24 mock treatment 0.19 -0.0596 -2.94 0.19 -0.0581 -2.99 -4.1928 -1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 B01 compound treatment 0.212 -0.0376 -1.85 0.204 -0.0441 -2.27 -2.9169 -0.9949 1704401 ChemDiv1_001783 COc1ccc(Cl)cc1C(=O)Nc2ccc(Cl)c(c2)c3nc4c(ccc5ccccc45)o3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 B02 compound treatment 0.254 0.00438 0.22 0.252 0.00386 0.2 0.2931 0.9992 1971194 ChemDiv1_001784 CCCCCCCOC(=O)C1=C(C)NC(=O)NC1c2cc(Br)c(O)c(OC)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 B03 compound treatment 0.262 0.0124 0.61 0.26 0.0119 0.61 0.8629 1.0 1324222 ChemDiv1_001785 Cc1c(NC(=S)NC(=O)c2sc3ccccc3c2Cl)c(=O)n(c4ccccc4)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 B04 compound treatment 0.258 0.00838 0.41 0.258 0.00986 0.51 0.6508 0.9947 1225541 ChemDiv1_001786 COc1cc(cc(Cl)c1O)C2NC(=O)NC(=C2C(=O)OCC3CCCCC3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 B05 compound treatment 0.263 0.0134 0.66 0.262 0.0139 0.71 0.9706 0.9992 1971195 ChemDiv1_001787 O=C(NN1C(=O)/C(=C\2/C(=O)N(Cc3ccccc3)c4ccccc24)/SC1=S)c5ccncc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 B06 compound treatment 0.271 0.0214 1.05 0.272 0.0239 1.23 1.6132 0.9971 1971196 ChemDiv1_001788 COc1cc(ccc1OCc2ccccc2)C3NC(=O)NC(=C3C(=O)OC/C=C/C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 B07 compound treatment 0.26 0.0104 0.51 0.26 0.0119 0.61 0.7933 0.9961 1942979 ChemDiv1_001789 CCOC(=O)c1c(NC(=O)CCN2C(=O)c3cccc4cccc(C2=O)c34)sc5CCCc15 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 B08 compound treatment 0.264 0.0144 0.71 0.263 0.0149 0.77 1.0418 0.9993 1343246 ChemDiv1_001790 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4ccc(OC)cc4OC)C(=O)OC(C)C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 B09 compound treatment 0.268 0.0184 0.91 0.271 0.0229 1.18 1.4723 0.9916 1919252 ChemDiv1_001791 O=C1N/C(=N\c2ccccc2)/SC1Cc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 B10 compound treatment 0.255 0.00538 0.26 0.254 0.00586 0.3 0.4007 0.9979 1971197 ChemDiv1_001792 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(ccc3Cl)[N+](=O)[O-])cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 B11 compound treatment 0.253 0.00338 0.17 0.256 0.00786 0.4 0.4039 0.9229 1971198 ChemDiv1_001793 COc1ccc(cc1)C2=NN(CN3C(=O)C(=O)c4ccccc34)C(C2)c5ccc(Br)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 B12 compound treatment 0.257 0.00738 0.36 0.256 0.00786 0.4 0.5432 0.9986 1288105 ChemDiv1_001794 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4ccc(cc4)S(=O)(=O)N(C)C)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 B13 compound treatment 0.265 0.0154 0.76 0.265 0.0169 0.87 1.1494 0.9977 1452326 ChemDiv1_001795 CCOc1ccc2cc(C3CC(=NN3C(=O)CCC(=O)O)c4ccc(Br)cc4)c(Cl)nc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 B14 compound treatment 0.258 0.00838 0.41 0.256 0.00786 0.4 0.578 1.0 1652367 ChemDiv1_001796 Brc1c(CSc2nc3ccccc3[nH]2)nc4ccccn14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 B15 compound treatment 0.258 0.00838 0.41 0.258 0.00986 0.51 0.6508 0.9947 1971199 ChemDiv1_001797 CCOC(=O)c1c(oc2ccc(OCc3c(F)c(F)c(F)c(F)c3F)cc12)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 B16 compound treatment 0.291 0.0414 2.04 0.291 0.0429 2.21 3.0014 0.9992 1727808 ChemDiv1_001798 CCOc1ccc(cc1)c2cn3cc(Cl)ccc3n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 B17 compound treatment 0.274 0.0244 1.2 0.275 0.0269 1.38 1.8269 0.9975 1923701 ChemDiv1_001799 OC(=O)CCC(=O)N1N=C(CC1c2ccco2)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 B18 compound treatment 0.254 0.00438 0.22 0.253 0.00486 0.25 0.3295 0.9973 1637409 ChemDiv1_001800 COC(=O)c1cc(ccc1Cl)N2C(=O)C3C(C2=O)C4(C)OC3(C)C=C4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 B19 compound treatment 0.257 0.00738 0.36 0.259 0.0109 0.56 0.6524 0.9782 1938110 ChemDiv1_001801 O=c1oc(nc2sc3CCCc3c12)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 B20 compound treatment 0.256 0.00638 0.31 0.256 0.00786 0.4 0.5084 0.9922 1971200 ChemDiv1_001802 COc1ccc(N2C(=O)C3C4OC(C=C4)C3C2=O)c(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 B21 compound treatment 0.254 0.00438 0.22 0.256 0.00786 0.4 0.4387 0.9566 1734911 ChemDiv1_001803 CC1=C(C(NC(=O)N1)c2ccc(Br)cc2)C(=O)OCc3ccc4OCOc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 B22 compound treatment 0.254 0.00438 0.22 0.253 0.00486 0.25 0.3295 0.9973 1971201 ChemDiv1_001804 CCOc1ccc(cc1N2C(=O)C3C4OC(C=C4)C3C2=O)C(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 B23 mock treatment 0.255 0.00538 0.26 0.252 0.00386 0.2 0.3279 0.99 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 B24 mock treatment 0.244 -0.00562 -0.28 0.243 -0.00514 -0.26 -0.3828 -0.9997 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 C01 compound treatment 0.216 -0.0336 -1.66 0.222 -0.0261 -1.35 -2.1224 -0.9947 1679845 ChemDiv1_001805 OCC1OC(Oc2ccc3c(=O)c(coc3c2)c4ccc(Cl)cc4)C(O)C(O)C1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 C02 compound treatment 0.253 0.00338 0.17 0.255 0.00686 0.35 0.3675 0.941 1971202 ChemDiv1_001806 COc1cc(cc(Br)c1O)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)OCCOc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 C03 compound treatment 0.245 -0.00462 -0.23 0.244 -0.00414 -0.21 -0.3116 -0.9995 1971203 ChemDiv1_001807 CCCCCCc1cc2c(=O)c(coc2cc1OCC(=O)OCC)c3csc(C)n3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 C04 compound treatment 0.247 -0.00262 -0.13 0.247 -0.00114 -0.06 -0.1327 -0.9361 1971204 ChemDiv1_001808 COc1ccc(cc1)C2=NN(C(C2)c3cccc(c3)[N+](=O)[O-])C(=O)c4cc([N+](=O)[O-])c(N5CCOCC5)c(c4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 C05 compound treatment 0.246 -0.00362 -0.18 0.246 -0.00214 -0.11 -0.2039 -0.9731 1971205 ChemDiv1_001809 CC(C)CCOC(=O)CCN1C(=O)/C(=C/c2ccccc2)/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 C06 compound treatment 0.246 -0.00362 -0.18 0.245 -0.00314 -0.16 -0.2403 -0.9988 1925504 ChemDiv1_001810 O=C1C2C(C3CCC2C=C3)C(=O)N1c4ccc5OCOc5c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 C07 compound treatment 0.247 -0.00262 -0.13 0.246 -0.00214 -0.11 -0.1691 -0.9969 1971206 ChemDiv1_001811 Clc1ccc(/C=C/2\SC(=S)N(CCC(=O)Nc3nccs3)C2=O)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 C08 compound treatment 0.256 0.00638 0.31 0.255 0.00686 0.35 0.472 0.9983 1971207 ChemDiv1_001812 OC(=O)c1cc(ccc1Cl)N2C(=O)C3C(C4CCC3C=C4)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 C09 compound treatment 0.249 -6.21E-4 -0.03 0.246 -0.00214 -0.11 -0.0994 -0.8706 1701613 ChemDiv1_001813 COc1cc(cc(OC)c1OC)C2NC(=O)NC(=C2C(=O)OCCc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 C10 compound treatment 0.246 -0.00362 -0.18 0.248 -1.38E-4 -0.01 -0.1311 -0.7347 1521055 ChemDiv1_001814 Cc1ccc2oc(nc2c1)c3cc(NC(=O)c4cccc5c(Br)cccc45)ccc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 C11 compound treatment 0.274 0.0244 1.2 0.271 0.0229 1.18 1.6813 0.9999 1151437 ChemDiv1_001815 COc1cc(cc(Br)c1O)C2NC(=O)NC(=C2C(=O)OC3CCCCCC3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 C12 compound treatment 0.25 3.79E-4 0.02 0.249 8.62E-4 0.04 0.0446 0.9261 1971208 ChemDiv1_001816 COc1ccc(cc1OC)C2NC(=O)NC(=C2C(=O)OCCOc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 C13 compound treatment 0.249 -6.21E-4 -0.03 0.249 8.62E-4 0.04 0.0098 0.1812 1971209 ChemDiv1_001817 Cc1onc(c1C2=N/C(=C\c3cccc(Br)c3)/C(=O)O2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 C14 compound treatment 0.243 -0.00662 -0.33 0.244 -0.00414 -0.21 -0.3812 -0.9787 1971210 ChemDiv1_001818 COc1ccc(cc1)C(=O)COC(=O)c2ccccc2N3C(=O)C4C5CC(C=C5)C4C3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 C15 compound treatment 0.241 -0.00862 -0.42 0.243 -0.00514 -0.26 -0.4873 -0.9741 1971211 ChemDiv1_001819 COc1cc(/C=C/2\N=C(OC2=O)c3cc(ccc3Cl)[N+](=O)[O-])cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 C16 compound treatment 0.25 3.79E-4 0.02 0.25 0.00186 0.1 0.081 0.8293 1971212 ChemDiv1_001820 CC(=O)n1cc(/C=C/2\N=C(OC2=O)c3cccc4ccccc34)c5cc(Br)ccc15 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 C17 compound treatment 0.252 0.00238 0.12 0.253 0.00486 0.25 0.2599 0.9402 1971213 ChemDiv1_001821 CC(=O)Oc1ccc(Br)cc1/C=C/2\N=C(OC2=O)c3cc(ccc3Cl)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 C18 compound treatment 0.253 0.00338 0.17 0.252 0.00386 0.2 0.2583 0.9961 1939827 ChemDiv1_001822 CCOc1cc(cc(OCC)c1OCC)C(=O)Nc2cccc3C(=O)c4ccccc4C(=O)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 C19 compound treatment 0.241 -0.00862 -0.42 0.241 -0.00714 -0.37 -0.5601 -0.9974 1971214 ChemDiv1_001823 [O-][N+](=O)c1ccc2oc(=O)c(cc2c1)c3nnc(Nc4ccc(Cl)cc4Cl)s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 C20 compound treatment 0.243 -0.00662 -0.33 0.243 -0.00514 -0.26 -0.4176 -0.9946 1971215 ChemDiv1_001824 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cc(Br)c(O)c(OCC)c3)C(=O)CC(C)(C)C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 C21 compound treatment 0.249 -6.21E-4 -0.03 0.25 0.00186 0.1 0.0462 0.4588 1160505 ChemDiv1_001825 CCN1C(=C(C(NC1=O)c2cc(Br)c(O)c(OC)c2)C(=O)OCC=C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 C22 compound treatment 0.245 -0.00462 -0.23 0.245 -0.00314 -0.16 -0.2752 -0.9859 1565124 ChemDiv1_001826 COc1cc(cc(OC)c1OC)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)OCCc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 C23 mock treatment 0.239 -0.0106 -0.52 0.243 -0.00514 -0.26 -0.5569 -0.9501 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 C24 mock treatment 0.233 -0.0166 -0.82 0.219 -0.0291 -1.5 -1.6395 -0.9594 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 D01 compound treatment 0.239 -0.0106 -0.52 0.24 -0.00814 -0.42 -0.6661 -0.9939 1539059 ChemDiv1_001827 Cc1c(NC(=O)c2cccc3c(Br)cccc23)cccc1c4nc5cc(Cl)ccc5o4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 D02 compound treatment 0.264 0.0144 0.71 0.26 0.0119 0.61 0.9326 0.9973 1781944 ChemDiv1_001828 CC1=C(C(NC(=O)N1)c2ccc(cc2)[N+](=O)[O-])C(=O)OCc3ccc4OCOc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 D03 compound treatment 0.275 0.0254 1.25 0.276 0.0279 1.43 1.8981 0.9976 1971216 ChemDiv1_001829 COc1cc(/C=C/2\SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 D04 compound treatment 0.266 0.0164 0.81 0.265 0.0169 0.87 1.1843 0.9993 1288705 ChemDiv1_001830 COc1ccc(cc1)C2C(=C(N)OC3=C2C(=O)CC(C3)c4ccccc4Cl)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 D05 compound treatment 0.256 0.00638 0.31 0.254 0.00586 0.3 0.4356 0.9998 1971217 ChemDiv1_001831 Clc1ccccc1CN2C(=O)/C(=C/3\SC(=S)N(NC(=O)c4ccncc4)C3=O)/c5ccccc25 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 D06 compound treatment 0.249 -6.21E-4 -0.03 0.246 -0.00214 -0.11 -0.0994 -0.8706 1971218 ChemDiv1_001832 CC(C)OCCOC(=O)C1=C(C)NC(=O)NC1c2cccc(OCc3ccccc3)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 D07 compound treatment 0.261 0.0114 0.56 0.26 0.0119 0.61 0.8281 0.9991 1786429 ChemDiv1_001833 CC(=O)Nc1nc2ccc(NC(=O)c3c(cnn3C)[N+](=O)[O-])cc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 D08 compound treatment 0.265 0.0154 0.76 0.262 0.0139 0.71 1.0402 0.9996 1971219 ChemDiv1_001834 O=C1/C(=C\c2cccs2)/Sc3ccc4ccccc4c13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 D09 compound treatment 0.262 0.0124 0.61 0.259 0.0109 0.56 0.8265 0.9991 1931779 ChemDiv1_001835 Cc1cccc(CC2S/C(=N/c3ccccc3)/NC2=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 D10 compound treatment 0.277 0.0274 1.35 0.279 0.0309 1.59 2.077 0.9967 1971220 ChemDiv1_001836 [O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N2CCOCC2)C(=O)Nc3ccccc3c4nc5ccccc5[nH]4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 D11 compound treatment 0.255 0.00538 0.26 0.255 0.00686 0.35 0.4371 0.9899 1971221 ChemDiv1_001837 COc1ccc(cc1)C2CC(=NN2CN3C(=O)C(=O)c4cc(Br)ccc34)c5ccc(OC)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 D12 compound treatment 0.254 0.00438 0.22 0.252 0.00386 0.2 0.2931 0.9992 1658145 ChemDiv1_001838 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4ccc(cc4)S(=O)(=O)N5CCCCC5)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 D13 compound treatment 0.268 0.0184 0.91 0.263 0.0149 0.77 1.1811 0.9965 1971222 ChemDiv1_001839 O=C1N(CCCc2nc3sc4CCCCc4c3c(=O)[nH]2)C(=O)c5cccc6cccc1c56 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 D14 compound treatment 0.252 0.00238 0.12 0.252 0.00386 0.2 0.2235 0.9682 1333889 ChemDiv1_001840 O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 D15 compound treatment 0.254 0.00438 0.22 0.254 0.00586 0.3 0.3659 0.9864 1599272 ChemDiv1_001841 CCOC(=O)c1c(oc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc12)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 D16 compound treatment 0.261 0.0114 0.56 0.26 0.0119 0.61 0.8281 0.9991 1971223 ChemDiv1_001842 CCOC/1=NN(C(=O)\C1=C/c2cc(OC)c(OC)cc2OC)c3ccc(cc3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 D17 compound treatment 0.29 0.0404 1.99 0.277 0.0289 1.49 2.4569 0.9897 1943444 ChemDiv1_001843 OC(=O)CCC(=O)N1N=C(CC1c2ccccc2)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 D18 compound treatment 0.256 0.00638 0.31 0.256 0.00786 0.4 0.5084 0.9922 1477773 ChemDiv1_001844 CC(=O)Oc1cccc(c1)N2C(=O)C3C(C2=O)C4(C)OC3(C)C=C4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 D19 compound treatment 0.255 0.00538 0.26 0.251 0.00286 0.15 0.2915 0.9616 1128671 ChemDiv1_001845 Brc1cc2OCCOc2c3c4CCNC(=O)c4[nH]c13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 D20 compound treatment 0.252 0.00238 0.12 0.252 0.00386 0.2 0.2235 0.9682 1971224 ChemDiv1_001846 FC(F)(F)c1cc(ccc1Cl)N2C(=O)C3C4OC(C=C4)C3C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 D21 compound treatment 0.251 0.00138 0.07 0.25 0.00186 0.1 0.1158 0.9858 1781942 ChemDiv1_001847 CC1=C(C(NC(=O)N1)c2cccc(c2)[N+](=O)[O-])C(=O)OCc3ccc4OCOc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 D22 compound treatment 0.253 0.00338 0.17 0.252 0.00386 0.2 0.2583 0.9961 1924631 ChemDiv1_001848 CC(=C1C2C=CC1C3C2C(=O)N(C3=O)c4ccc(Br)cc4[N+](=O)[O-])C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 D23 mock treatment 0.251 0.00138 0.07 0.252 0.00386 0.2 0.1886 0.8978 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 D24 mock treatment 0.243 -0.00662 -0.33 0.246 -0.00214 -0.11 -0.3084 -0.8961 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 E01 compound treatment 0.251 0.00138 0.07 0.232 -0.0161 -0.83 -0.5394 -0.6471 1517948 ChemDiv1_001849 CCCc1oc2cc(OCC(=O)OC)c(CC)cc2c(=O)c1c3ccc4OCCCOc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 E02 compound treatment 0.317 0.0674 3.32 0.329 0.0809 4.16 5.2902 0.9937 1351263 ChemDiv1_001850 COC(=O)C1=C(C)NC2=C(C1c3ccc(Br)cc3)C(=O)CC(C2)c4ccc5OCOc5c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 E03 compound treatment 0.254 0.00438 0.22 0.255 0.00686 0.35 0.4023 0.972 1647854 ChemDiv1_001851 CC(=O)Oc1cc(OC(=O)C)c2c(=O)c(c(C)oc2c1)c3ccc4OCCCOc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 E04 compound treatment 0.256 0.00638 0.31 0.255 0.00686 0.35 0.472 0.9983 1971225 ChemDiv1_001852 CCOC(=O)CSc1nnc(c2ccc(Br)cc2)n1c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 E05 compound treatment 0.616 0.366 18.05 0.615 0.367 18.89 26.1146 0.9997 1971226 ChemDiv1_001853 COc1ccc(/C=C\2/SC(=S)N(C2=O)c3c(C)n(C)n(c4ccccc4)c3=O)c(C(=O)O)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 E06 compound treatment 0.259 0.00938 0.46 0.259 0.0109 0.56 0.7221 0.9955 1971227 ChemDiv1_001854 COC(=O)c1cccc(c1)N2C(=O)C3C(C4CCC3C=C4)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 E07 compound treatment 0.268 0.0184 0.91 0.266 0.0179 0.92 1.2903 1.0 1971228 ChemDiv1_001855 NC(=O)CSc1nncc2ccccc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 E08 compound treatment 0.302 0.0524 2.58 0.298 0.0499 2.57 3.6393 1.0 1971229 ChemDiv1_001856 O=C1NC(=O)C2C1C3(C(=O)C2(C(=C3c4ccc5OCOc5c4)c6ccc7OCOc7c6)c8ccccc8)c9ccccc9 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 E09 compound treatment 0.261 0.0114 0.56 0.26 0.0119 0.61 0.8281 0.9991 1120482 ChemDiv1_001857 COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c3cc(OC)ccc3OC)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 E10 compound treatment 0.276 0.0264 1.3 0.28 0.0319 1.64 2.0786 0.9933 1250324 ChemDiv1_001858 COc1cc(cc(Br)c1O)C2NC(=O)NC(=C2C(=O)OC3CCCCCCC3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 E11 compound treatment 0.284 0.0344 1.69 0.281 0.0329 1.69 2.3936 1.0 1298652 ChemDiv1_001859 COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c3cccc(OC)c3OC)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 E12 compound treatment 0.261 0.0114 0.56 0.259 0.0109 0.56 0.7917 1.0 1499253 ChemDiv1_001860 CCC(C)OC(=O)C1=C(C)NC(=O)NC1c2cc(Br)c(O)c(OC)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 E13 compound treatment 0.261 0.0114 0.56 0.261 0.0129 0.66 0.8645 0.9966 1971230 ChemDiv1_001861 COc1ccc(Br)cc1/C=C/2\N=C(OC2=O)c3c(C)onc3c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 E14 compound treatment 0.254 0.00438 0.22 0.253 0.00486 0.25 0.3295 0.9973 1348194 ChemDiv1_001862 COc1ccc(cc1)C(=O)COC(=O)c2cccc(c2)N3C(=O)C4C5CC(C=C5)C4C3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 E15 compound treatment 0.258 0.00838 0.41 0.257 0.00886 0.46 0.6144 0.9987 1971231 ChemDiv1_001863 COc1ccc(Br)cc1/C=C/2\N=C(OC2=O)c3cc(ccc3Cl)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 E16 compound treatment 0.257 0.00738 0.36 0.257 0.00886 0.46 0.5796 0.9937 1596362 ChemDiv1_001864 COC(=O)c1sccc1NC(=O)c2cc(nc3ccccc23)c4ccc(OC)cc4OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 E17 compound treatment 0.262 0.0124 0.61 0.262 0.0139 0.71 0.9357 0.9969 1971232 ChemDiv1_001865 CC(=O)Oc1ccc(/C=C/2\N=C(OC2=O)c3cc(ccc3Cl)[N+](=O)[O-])c(OC(=O)C)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 E18 compound treatment 0.264 0.0144 0.71 0.263 0.0149 0.77 1.0418 0.9993 1971233 ChemDiv1_001866 Cc1ccc2c(Cl)c(sc2c1)C(=O)Nc3ccc(Br)cc3Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 E19 compound treatment 0.252 0.00238 0.12 0.252 0.00386 0.2 0.2235 0.9682 1152291 ChemDiv1_001867 CCOC(=O)c1ccc(Nc2nnc(s2)c3cc4ccc(cc4oc3=O)N(CC)CC)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 E20 compound treatment 0.257 0.00738 0.36 0.256 0.00786 0.4 0.5432 0.9986 1358692 ChemDiv1_001868 COc1ccc(C2C(=C(N)Oc3c2c(=O)oc4ccccc34)C#N)c(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 E21 compound treatment 0.251 0.00138 0.07 0.252 0.00386 0.2 0.1886 0.8978 1971234 ChemDiv1_001869 COc1cc(cc(OC)c1OC)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)OCCOc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 E22 compound treatment 0.253 0.00338 0.17 0.253 0.00486 0.25 0.2947 0.9803 1971235 ChemDiv1_001870 CCOC(=O)C1=C(NC(=O)NC1c2cc(Br)c(O)c(OC)c2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 E23 mock treatment 0.252 0.00238 0.12 0.252 0.00386 0.2 0.2235 0.9682 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 E24 mock treatment 0.248 -0.00162 -0.08 0.247 -0.00114 -0.06 -0.0979 -0.9884 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 F01 compound treatment 0.252 0.00238 0.12 0.246 -0.00214 -0.11 0.005 0.0313 1555459 ChemDiv1_001871 COc1cc(cc(OC)c1OC)C(=O)Nc2ccc(Cl)c(c2)c3nc4cc(Cl)ccc4o3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 F02 compound treatment 0.271 0.0214 1.05 0.273 0.0249 1.28 1.6496 0.9953 1446464 ChemDiv1_001872 COC(=O)C1=C(C)NC2=C(C1c3cc(OC)c(OC)c(OC)c3)C(=O)CC(C2)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 F03 compound treatment 0.329 0.0794 3.91 0.338 0.0899 4.63 6.0357 0.9965 1940510 ChemDiv1_001873 Clc1cccc(CC2S/C(=N\c3ccccn3)/NC2=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 F04 compound treatment 0.255 0.00538 0.26 0.255 0.00686 0.35 0.4371 0.9899 1368820 ChemDiv1_001874 COc1cc(cc(OC)c1OC)C2NC(=O)NC(=C2C(=O)OCc3ccc(C)cc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 F05 compound treatment 0.271 0.0214 1.05 0.271 0.0229 1.18 1.5768 0.9985 1781892 ChemDiv1_001875 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)c2cnc(NC(=O)COc3cc(Cl)ccc3Cl)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 F06 compound treatment 0.267 0.0174 0.86 0.267 0.0189 0.97 1.2919 0.998 1194789 ChemDiv1_001876 COC(=O)C1=C(C)NC2=C(C1c3cc(OC)c(OC)c(OC)c3)C(=O)CC(C2)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 F07 compound treatment 0.272 0.0224 1.1 0.265 0.0169 0.87 1.3932 0.993 1971236 ChemDiv1_001877 Cn1cc(Cl)c(n1)C(=O)Nc2nc3ccc(cc3s2)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 F08 compound treatment 0.272 0.0224 1.1 0.272 0.0239 1.23 1.648 0.9985 1971237 ChemDiv1_001878 CN(C)c1ccc(/C=C/2\Sc3ccc4ccccc4c3C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 F09 compound treatment 0.267 0.0174 0.86 0.266 0.0179 0.92 1.2555 0.9994 1971238 ChemDiv1_001879 Cc1ccc(CC2S/C(=N/c3ccccc3)/NC2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 F10 compound treatment 0.263 0.0134 0.66 0.259 0.0109 0.56 0.8614 0.9967 1121992 ChemDiv1_001880 COc1cc2ccccc2cc1C(=O)Nc3ccc4nc(C)sc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 F11 compound treatment 0.273 0.0234 1.15 0.273 0.0249 1.28 1.7193 0.9986 1971239 ChemDiv1_001881 COc1ccc(cc1)C2=NN(CN3C(=O)C(=O)c4ccccc34)C(C2)c5cccc(c5)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 F12 compound treatment 0.261 0.0114 0.56 0.26 0.0119 0.61 0.8281 0.9991 1644367 ChemDiv1_001882 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)C4(CC5CC6CC(C5)C4)C6)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 F13 compound treatment 0.27 0.0204 1.0 0.269 0.0209 1.07 1.4692 0.9994 1589105 ChemDiv1_001883 Cc1cc2nnc(SCC(=O)Nc3ccc(cc3)S(=O)(=O)N)n2c4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 F14 compound treatment 0.277 0.0274 1.35 0.269 0.0209 1.07 1.713 0.9936 1971240 ChemDiv1_001884 COc1ccccc1N(CCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c5cc(OC)c(OC)c(OC)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 F15 compound treatment 0.26 0.0104 0.51 0.26 0.0119 0.61 0.7933 0.9961 1390301 ChemDiv1_001885 COc1ccc(cc1)C(=O)Oc2ccc3cc(c4nc5ccccc5s4)c(=O)oc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 F16 compound treatment 0.262 0.0124 0.61 0.262 0.0139 0.71 0.9357 0.9969 1971241 ChemDiv1_001886 CCOC/1=NN(C(=O)\C1=C\c2ccc(OC)c(OC)c2OC)c3ccc(cc3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 F17 compound treatment 0.267 0.0174 0.86 0.266 0.0179 0.92 1.2555 0.9994 1971242 ChemDiv1_001887 CC(=O)NC(=O)c1cc2c(ccc3ccccc32)oc1=Nc4ccc(cc4)C(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 F18 compound treatment 0.258 0.00838 0.41 0.258 0.00986 0.51 0.6508 0.9947 1925212 ChemDiv1_001888 CC(=O)c1ccc(cc1)N2C(=O)C3C(C4CCC3C=C4)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 F19 compound treatment 0.262 0.0124 0.61 0.261 0.0129 0.66 0.8993 0.9992 1971243 ChemDiv1_001889 COc1ccc2nc(NC(=O)NC3(CC4CC5C3)CC(C4)(C5)c6ccc(C)cc6)sc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 F20 compound treatment 0.255 0.00538 0.26 0.252 0.00386 0.2 0.3279 0.99 1971244 ChemDiv1_001890 Fc1ccc(cc1)N2C(=O)C3C4OC(C=C4)C3C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 F21 compound treatment 0.256 0.00638 0.31 0.256 0.00786 0.4 0.5084 0.9922 1640432 ChemDiv1_001891 CC1=C(C(NC(=O)N1)c2cccc3ccccc23)C(=O)OCc4ccc5OCOc5c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 F22 compound treatment 0.258 0.00838 0.41 0.255 0.00686 0.35 0.5416 0.997 1354353 ChemDiv1_001892 Cc1ccc2nc(oc2c1)c3ccc(Cl)c(NC(=O)c4cccc(OCc5ccccc5)c4)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 F23 mock treatment 0.259 0.00938 0.46 0.259 0.0109 0.56 0.7221 0.9955 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 F24 mock treatment 0.253 0.00338 0.17 0.235 -0.0131 -0.68 -0.3606 -0.5177 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 G01 compound treatment 0.25 3.79E-4 0.02 0.243 -0.00514 -0.26 -0.1738 -0.6555 1373501 ChemDiv1_001893 CCOC(=O)c1oc2cc(OCc3ccc(o3)C(=O)OC)ccc2c(=O)c1c4ccc(o4)C(=O)OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 G02 compound treatment 0.293 0.0434 2.14 0.299 0.0509 2.62 3.3623 0.9949 1941626 ChemDiv1_001894 COc1ccc(C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)OCCOc4ccccc4)c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 G03 compound treatment 0.25 3.79E-4 0.02 0.251 0.00286 0.15 0.1174 0.7904 1322207 ChemDiv1_001895 CCOC(=O)c1oc2cc(OCc3ccccc3)ccc2c(=O)c1c4cnn(c4)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 G04 compound treatment 0.251 0.00138 0.07 0.252 0.00386 0.2 0.1886 0.8978 1971245 ChemDiv1_001896 CCOC(=O)CSc1nnc(c2cccc(C)c2[N+](=O)[O-])n1c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 G05 compound treatment 0.263 0.0134 0.66 0.261 0.0129 0.66 0.9342 1.0 1921164 ChemDiv1_001897 CC(=O)N1C(=O)/C(=C/2\SC(=S)N(C2=O)c3c(C)n(C)n(c4ccccc4)c3=O)/c5ccccc15 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 G06 compound treatment 0.272 0.0224 1.1 0.265 0.0169 0.87 1.3932 0.993 1971246 ChemDiv1_001898 [O-][N+](=O)c1cc(Cl)ccc1N2C(=O)C3C(C4CCC3C=C4)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 G07 compound treatment 0.258 0.00838 0.41 0.258 0.00986 0.51 0.6508 0.9947 1300027 ChemDiv1_001899 COc1ccc(cc1)C2CC(=NN2C(=O)CCC(=O)O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 G08 compound treatment 0.268 0.0184 0.91 0.271 0.0229 1.18 1.4723 0.9916 1971247 ChemDiv1_001900 CC/1=NN(C(=O)\C1=C/c2ccc(o2)c3cc(ccc3O)[N+](=O)[O-])c4cccc(c4)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 G09 compound treatment 0.258 0.00838 0.41 0.259 0.0109 0.56 0.6872 0.9888 1971248 ChemDiv1_001901 CC1=C(C(NC(=O)N1)c2ccc(O)c(c2)[N+](=O)[O-])C(=O)OCCOc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 G10 compound treatment 0.254 0.00438 0.22 0.255 0.00686 0.35 0.4023 0.972 1971249 ChemDiv1_001902 COc1cc(cc(Br)c1O)C2NC(=O)NC(=C2C(=O)OCC(F)(F)F)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 G11 compound treatment 0.253 0.00338 0.17 0.252 0.00386 0.2 0.2583 0.9961 1249240 ChemDiv1_001903 COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c3ccccc3OCc4ccccc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 G12 compound treatment 0.269 0.0194 0.95 0.267 0.0189 0.97 1.3615 1.0 1723791 ChemDiv1_001904 COc1cc(cc(Cl)c1O)C2NC(=O)NC(=C2C(=O)OC3CCCCCCC3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 G13 compound treatment 0.258 0.00838 0.41 0.255 0.00686 0.35 0.5416 0.997 1971250 ChemDiv1_001905 COc1cc(OC)c(/C=C/2\N=C(OC2=O)c3c(C)onc3c4ccccc4)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 G14 compound treatment 0.294 0.0444 2.19 0.265 0.0169 0.87 2.1594 0.9182 1971251 ChemDiv1_001906 COc1ccc(cc1)C(=O)COC(=O)c2ccc(cc2)N3C(=O)C4C5CC(C=C5)C4C3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 G15 compound treatment 0.254 0.00438 0.22 0.253 0.00486 0.25 0.3295 0.9973 1971252 ChemDiv1_001907 COc1ccc(/C=C/2\N=C(OC2=O)c3cc(ccc3Cl)[N+](=O)[O-])cc1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 G16 compound treatment 0.272 0.0224 1.1 0.27 0.0219 1.13 1.5752 0.9999 1180024 ChemDiv1_001908 Cc1ccc(o1)c2cc(C(=O)Nc3ccc(cc3)S(=O)(=O)Nc4cc(C)nc(C)n4)c5ccccc5n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 G17 compound treatment 0.262 0.0124 0.61 0.263 0.0149 0.77 0.9721 0.9937 1971253 ChemDiv1_001909 CC(=O)Oc1ccc(/C=C/2\N=C(OC2=O)c3cc(ccc3Cl)[N+](=O)[O-])cc1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 G18 compound treatment 0.256 0.00638 0.31 0.259 0.0109 0.56 0.6176 0.9628 1284011 ChemDiv1_001910 Brc1cccc(c1)c2cc(C(=O)Nc3nncs3)c4ccccc4n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 G19 compound treatment 0.252 0.00238 0.12 0.253 0.00486 0.25 0.2599 0.9402 1232029 ChemDiv1_001911 CCOC(=O)c1ccc(Nc2nnc(s2)c3cc4cc(Br)ccc4oc3=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 G20 compound treatment 0.264 0.0144 0.71 0.263 0.0149 0.77 1.0418 0.9993 1730660 ChemDiv1_001912 CCOc1cc(cc(Br)c1O)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)OC(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 G21 compound treatment 0.252 0.00238 0.12 0.253 0.00486 0.25 0.2599 0.9402 1781930 ChemDiv1_001913 CCN1C(=C(C(NC1=O)c2ccccc2[N+](=O)[O-])C(=O)OCCc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 G22 compound treatment 0.257 0.00738 0.36 0.255 0.00686 0.35 0.5068 0.9999 1442698 ChemDiv1_001914 CCOc1cc(cc(OCC)c1OCC)C(=O)Nc2cc(ccc2C)c3nc4cc(Cl)ccc4o3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 G23 mock treatment 0.252 0.00238 0.12 0.251 0.00286 0.15 0.1871 0.9936 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 G24 mock treatment 0.248 -0.00162 -0.08 0.244 -0.00414 -0.21 -0.2071 -0.9103 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 H01 compound treatment 0.255 0.00538 0.26 0.251 0.00286 0.15 0.2915 0.9616 1971254 ChemDiv1_001915 CCN1C(=O)/C(=C/2\SC(=S)N(C2=O)c3ccc(Br)cc3)/c4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 H02 compound treatment 0.284 0.0344 1.69 0.28 0.0319 1.64 2.3572 0.9999 1146407 ChemDiv1_001916 CCCOc1ccc(cc1OC)C2NC(=O)NC(=C2C(=O)OC3CCCCCC3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 H03 compound treatment 0.309 0.0594 2.92 0.315 0.0669 3.44 4.5019 0.9967 1971255 ChemDiv1_001917 Clc1ccc(CC2S/C(=N\c3ccccn3)/NC2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 H04 compound treatment 0.317 0.0674 3.32 0.294 0.0459 2.36 4.0161 0.9861 1203146 ChemDiv1_001918 CC1=C(C(NC(=O)N1)c2cccc(OCc3ccccc3)c2)C(=O)OC4CCCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 H05 compound treatment 0.274 0.0244 1.2 0.271 0.0229 1.18 1.6813 0.9999 1864178 ChemDiv1_001919 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)c2cnc(NC(=O)COc3ccc(Cl)cc3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 H06 compound treatment 0.313 0.0634 3.12 0.312 0.0639 3.29 4.532 0.9997 1368762 ChemDiv1_001920 CC1=C(C(NC(=O)N1)c2ccccc2OCc3ccccc3)C(=O)OCc4ccc(C)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 H07 compound treatment 0.258 0.00838 0.41 0.256 0.00786 0.4 0.578 1.0 1971256 ChemDiv1_001921 CN(c1ccccc1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3ccc4C(=O)c5ccccc5C(=O)c4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 H08 compound treatment 0.263 0.0134 0.66 0.264 0.0159 0.82 1.0434 0.9943 1971257 ChemDiv1_001922 COc1ccccc1N(CCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c5ccccc5OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 H09 compound treatment 0.274 0.0244 1.2 0.269 0.0209 1.07 1.6085 0.9985 1971258 ChemDiv1_001923 COc1ccc(CC2S/C(=N/c3ccccc3)/NC2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 H10 compound treatment 0.255 0.00538 0.26 0.257 0.00886 0.46 0.5099 0.9666 1971259 ChemDiv1_001924 CCOC(=O)c1c(oc2c1cc(OC(=O)c3ccccc3C)c4ccccc24)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 H11 compound treatment 0.267 0.0174 0.86 0.266 0.0179 0.92 1.2555 0.9994 1175419 ChemDiv1_001925 CS(=O)(=O)c1ccc2nc(NC(=O)COc3ccc(Oc4ccccc4)cc3)sc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 H12 compound treatment 0.329 0.0794 3.91 0.313 0.0649 3.34 5.1257 0.9969 1971260 ChemDiv1_001926 COc1ccc(c(O)c1)c2nc(N)nc(c2c3cscn3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 H13 compound treatment 0.274 0.0244 1.2 0.27 0.0219 1.13 1.6449 0.9995 1971261 ChemDiv1_001927 NS(=O)(=O)c1ccc(NC(=O)CSc2nnc3sc4ccccc4n23)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 H14 compound treatment 0.262 0.0124 0.61 0.264 0.0159 0.82 1.0086 0.9896 1258361 ChemDiv1_001928 COc1cc(cc(OC)c1OC)C(=O)Nc2nnc(s2)c3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 H15 compound treatment 0.256 0.00638 0.31 0.255 0.00686 0.35 0.472 0.9983 1182544 ChemDiv1_001929 Fc1ccc(COc2ccc3cc(c4nc5ccccc5s4)c(=O)oc3c2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 H16 compound treatment 0.251 0.00138 0.07 0.248 -1.38E-4 -0.01 0.043 0.6298 1971262 ChemDiv1_001930 CC1(OC2(C)C=C1)C3C2C(=O)N(C3=O)c4ccc(Cl)c(c4)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 H17 compound treatment 0.267 0.0174 0.86 0.264 0.0159 0.82 1.1827 0.9997 1971263 ChemDiv1_001931 CCOc1cccc2cc(C(=O)NC(=O)C)c(=Nc3ccc(cc3)C(=O)C)oc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 H18 compound treatment 0.252 0.00238 0.12 0.252 0.00386 0.2 0.2235 0.9682 1950551 ChemDiv1_001932 CC(=O)Oc1cccc(c1)N2C(=O)C3C(C4CCC3C=C4)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 H19 compound treatment 0.248 -0.00162 -0.08 0.249 8.62E-4 0.04 -0.0251 -0.2744 1146483 ChemDiv1_001933 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 H20 compound treatment 0.26 0.0104 0.51 0.258 0.00986 0.51 0.7205 1.0 1971264 ChemDiv1_001934 COc1cc(ccc1N2C(=O)C3C4OC(C=C4)C3C2=O)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 H21 compound treatment 0.254 0.00438 0.22 0.256 0.00786 0.4 0.4387 0.9566 1276264 ChemDiv1_001935 COc1cc(cc(Br)c1O)C2NC(=O)NC(=C2C(=O)OC3CCCCC3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 H22 compound treatment 0.254 0.00438 0.22 0.252 0.00386 0.2 0.2931 0.9992 1971265 ChemDiv1_001936 [O-][N+](=O)c1cccc(c1)c2ccc(o2)C(=O)Nc3ccc(Cl)c(c3)c4nc5ncccc5o4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 H23 mock treatment 0.253 0.00338 0.17 0.253 0.00486 0.25 0.2947 0.9803 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 H24 mock treatment 0.255 0.00538 0.26 0.253 0.00486 0.25 0.3643 0.9996 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 I01 compound treatment 0.248 -0.00162 -0.08 0.244 -0.00414 -0.21 -0.2071 -0.9103 1214615 ChemDiv1_001937 CCCc1cc2c(=O)c(c3ccc(o3)C(=O)OCC)c(oc2cc1OC)C(=O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 I02 compound treatment 0.265 0.0154 0.76 0.269 0.0209 1.07 1.295 0.9854 1450188 ChemDiv1_001938 CCN1C(=C(C(NC1=O)c2cc3OCOc3cc2Br)C(=O)OCC=C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 I03 compound treatment 0.266 0.0164 0.81 0.265 0.0169 0.87 1.1843 0.9993 1971266 ChemDiv1_001939 NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)/SC2=S)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 I04 compound treatment 0.261 0.0114 0.56 0.256 0.00786 0.4 0.6825 0.9872 1712770 ChemDiv1_001940 COc1ccc(OC)c(NC(=O)c2cc3cc(Br)ccc3oc2=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 I05 compound treatment 0.257 0.00738 0.36 0.256 0.00786 0.4 0.5432 0.9986 1971267 ChemDiv1_001941 CCOc1ccc(cc1)N2C(=O)/C(=C\3/C(=O)Nc4ccc(Br)cc34)/SC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 I06 compound treatment 0.266 0.0164 0.81 0.257 0.00886 0.46 0.893 0.9636 1971268 ChemDiv1_001942 COc1ccc(cc1N2C(=O)C3C(C4CCC3C=C4)C2=O)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 I07 compound treatment 0.263 0.0134 0.66 0.261 0.0129 0.66 0.9342 1.0 1592697 ChemDiv1_001943 COc1ccc(C2CC(=NN2C(=O)C)c3c(c4ccccc4)c5cc(Br)ccc5[nH]c3=O)c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 I08 compound treatment 0.266 0.0164 0.81 0.266 0.0179 0.92 1.2207 0.9979 1942111 ChemDiv1_001944 CCOC(=O)c1ccc(cc1)c2ccc(/C=C/3\Sc4ccccc4C3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 I09 compound treatment 0.26 0.0104 0.51 0.259 0.0109 0.56 0.7569 0.999 1483372 ChemDiv1_001945 COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c3ccc(OC)c(OC)c3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 I10 compound treatment 0.26 0.0104 0.51 0.257 0.00886 0.46 0.6841 0.9984 1168387 ChemDiv1_001946 COc1cc(cc(Br)c1O)C2NC(=O)NC(=C2C(=O)OC(C)C(C)(C)C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 I11 compound treatment 0.255 0.00538 0.26 0.254 0.00586 0.3 0.4007 0.9979 1703145 ChemDiv1_001947 CCN(CC)c1ccc(cc1)C2NC(=O)NC(=C2C(=O)OCc3ccc(OC)cc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 I12 compound treatment 0.262 0.0124 0.61 0.261 0.0129 0.66 0.8993 0.9992 1971269 ChemDiv1_001948 COc1cc(cc(Br)c1O)C2NC(=O)NC(=C2C(=O)OC/C=C/C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 I13 compound treatment 0.266 0.0164 0.81 0.262 0.0139 0.71 1.0751 0.9981 1971270 ChemDiv1_001949 COc1cc(/C=C/2\N=C(OC2=O)c3c(C)onc3c4ccccc4)ccc1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 I14 compound treatment 0.254 0.00438 0.22 0.252 0.00386 0.2 0.2931 0.9992 1971271 ChemDiv1_001950 O=C1C2CCCCC2C(=O)N1c3cccc(OS(=O)(=O)c4ccccc4)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 I15 compound treatment 0.255 0.00538 0.26 0.262 0.0139 0.71 0.692 0.909 1971272 ChemDiv1_001951 COc1cc(/C=C/2\N=C(OC2=O)c3cc(ccc3Cl)[N+](=O)[O-])ccc1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 I16 compound treatment 0.256 0.00638 0.31 0.254 0.00586 0.3 0.4356 0.9998 1728109 ChemDiv1_001952 COc1ccc(cc1OC)c2cc(C(=O)Nc3ccccn3)c4ccccc4n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 I17 compound treatment 0.268 0.0184 0.91 0.267 0.0189 0.97 1.3267 0.9994 1971273 ChemDiv1_001953 COc1ccc(Br)cc1/C=C/2\N=C(OC2=O)c3cc(C)ccc3[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 I18 compound treatment 0.284 0.0344 1.69 0.271 0.0229 1.18 2.0296 0.9842 1940022 ChemDiv1_001954 CCOC(=O)CNC(=O)c1cc(nc2ccccc12)c3ccc(Cl)c(Cl)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 I19 compound treatment 0.253 0.00338 0.17 0.251 0.00286 0.15 0.2219 0.9982 1971274 ChemDiv1_001955 CCOC(=O)c1ccc(Nc2nnc(s2)c3cc4cc(ccc4oc3=O)[N+](=O)[O-])cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 I20 compound treatment 0.263 0.0134 0.66 0.262 0.0139 0.71 0.9706 0.9992 1158414 ChemDiv1_001956 CCOc1cc(cc(Br)c1O)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)OCc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 I21 compound treatment 0.27 0.0204 1.0 0.259 0.0109 0.56 1.1052 0.9618 1971275 ChemDiv1_001957 CCN1C(=C(C(NC1=O)c2ccc(Cl)cc2)C(=O)OCCOc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 I22 compound treatment 0.257 0.00738 0.36 0.253 0.00486 0.25 0.434 0.9834 1656442 ChemDiv1_001958 CCOc1cc(cc(OCC)c1OCC)C(=O)Nc2ccc3oc(nc3c2)c4ccncc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 I23 mock treatment 0.257 0.00738 0.36 0.257 0.00886 0.46 0.5796 0.9937 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 I24 mock treatment 0.259 0.00938 0.46 0.255 0.00686 0.35 0.5764 0.9912 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 J01 compound treatment 0.251 0.00138 0.07 0.248 -1.38E-4 -0.01 0.043 0.6298 1941673 ChemDiv1_001959 CCN1C(=O)/C(=C/2\SC(=S)N(C2=O)c3cc(OC)ccc3OC)/c4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 J02 compound treatment 0.277 0.0274 1.35 0.272 0.0239 1.23 1.8222 0.9989 1578196 ChemDiv1_001960 CCCOc1ccccc1C2NC(=O)NC(=C2C(=O)OCc3ccc4OCOc4c3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 J03 compound treatment 0.291 0.0414 2.04 0.292 0.0439 2.26 3.0378 0.9987 1312803 ChemDiv1_001961 CC(NC(=O)OCc1ccccc1)C(=O)Oc2cc(C)c3c(=O)c(coc3c2)c4nc(C)cs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 J04 compound treatment 0.28 0.0304 1.5 0.276 0.0279 1.43 2.0723 0.9998 1275495 ChemDiv1_001962 CCOc1ccc(cc1OC)C2NC(=O)NC(=C2C(=O)OCc3ccc(C)cc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 J05 compound treatment 0.303 0.0534 2.63 0.295 0.0469 2.41 3.5649 0.9991 1971276 ChemDiv1_001963 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)c2cnc(NC(=O)c3ccco3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 J06 compound treatment 0.275 0.0254 1.25 0.263 0.0149 0.77 1.4249 0.9722 1247977 ChemDiv1_001964 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4ccc(OC)c(OC)c4)C(=O)OC(C)C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 J07 compound treatment 0.271 0.0214 1.05 0.268 0.0199 1.02 1.4676 0.9999 1423131 ChemDiv1_001965 CC1(C)CC(=O)c2sc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCOCC4)nc2C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 J08 compound treatment 0.26 0.0104 0.51 0.256 0.00786 0.4 0.6477 0.9933 1971277 ChemDiv1_001966 COc1ccc(cc1)C(=O)N(CCCN2C(=O)c3cccc4cccc(C2=O)c34)c5ccccc5OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 J09 compound treatment 0.285 0.0354 1.74 0.279 0.0309 1.59 2.3556 0.9989 1971278 ChemDiv1_001967 Clc1ccc(/N=C/2\NC(=O)C(Cc3ccccc3)S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 J10 compound treatment 0.252 0.00238 0.12 0.252 0.00386 0.2 0.2235 0.9682 1971279 ChemDiv1_001968 CCOC(=O)c1c(oc2c1cc(OC(=O)c3ccc(Cl)cc3)c4ccccc24)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 J11 compound treatment 0.284 0.0344 1.69 0.283 0.0349 1.79 2.4664 0.9996 1914453 ChemDiv1_001969 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CSc2nncn2c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 J12 compound treatment 0.274 0.0244 1.2 0.266 0.0179 0.92 1.4993 0.9913 1971280 ChemDiv1_001970 [O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OCCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 J13 compound treatment 0.271 0.0214 1.05 0.262 0.0139 0.71 1.2492 0.982 1971281 ChemDiv1_001971 CCOC(=O)c1sc(NC(=O)CSc2nnc3ccccn23)c(C(=O)OCC)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 J14 compound treatment 0.25 3.79E-4 0.02 0.251 0.00286 0.15 0.1174 0.7904 1364110 ChemDiv1_001972 COc1ccc(c2nnc(NC(=O)c3ccc(cc3)S(=O)(=O)N(C)C)s2)c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 J15 compound treatment 0.26 0.0104 0.51 0.255 0.00686 0.35 0.6113 0.9837 1971282 ChemDiv1_001973 Clc1ccccc1c2nc3nnnn3c4ccc(Br)cc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 J16 compound treatment 0.251 0.00138 0.07 0.251 0.00286 0.15 0.1522 0.9382 1733725 ChemDiv1_001974 COC(=O)c1cccc(c1)N2C(=O)C3C(C2=O)C4(C)OC3(C)C=C4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 J17 compound treatment 0.265 0.0154 0.76 0.261 0.0129 0.66 1.0038 0.9978 1971283 ChemDiv1_001975 CCN(CC)c1ccc2cc(C(=O)NC(=O)C)c(=Nc3ccc(cc3)C(=O)C)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 J18 compound treatment 0.253 0.00338 0.17 0.249 8.62E-4 0.04 0.1491 0.8654 1971284 ChemDiv1_001976 CC1(OC2C=C1)C3C2C(=O)N(C3=O)c4ccc(Br)cc4[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 J19 compound treatment 0.264 0.0144 0.71 0.263 0.0149 0.77 1.0418 0.9993 1971285 ChemDiv1_001977 [O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2ncn(Cc3ccccc3)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 J20 compound treatment 0.253 0.00338 0.17 0.252 0.00386 0.2 0.2583 0.9961 1727741 ChemDiv1_001978 COC(=O)c1cc(ccc1Cl)N2C(=O)C3C4OC(C=C4)C3C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 J21 compound treatment 0.254 0.00438 0.22 0.253 0.00486 0.25 0.3295 0.9973 1169287 ChemDiv1_001979 COc1cc(cc(Cl)c1O)C2NC(=O)NC(=C2C(=O)OC3CCCCCC3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 J22 compound treatment 0.252 0.00238 0.12 0.25 0.00186 0.1 0.1506 0.995 1689179 ChemDiv1_001980 Clc1ccc(COc2ccc(C=c3sc4nc5ccccc5n4c3=O)cc2)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 J23 mock treatment 0.251 0.00138 0.07 0.249 8.62E-4 0.04 0.0794 0.9787 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 J24 mock treatment 0.254 0.00438 0.22 0.254 0.00586 0.3 0.3659 0.9864 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 K01 compound treatment 0.249 -6.21E-4 -0.03 0.248 -1.38E-4 -0.01 -0.0266 -0.8488 1703967 ChemDiv1_001981 CCOC(=O)c1oc2cc(OC)c(CC)cc2c(=O)c1c3csc(n3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 K02 compound treatment 0.25 3.79E-4 0.02 0.251 0.00286 0.15 0.1174 0.7904 1118405 ChemDiv1_001982 CCOc1cc(ccc1O)C2NC(=O)N(C)C(=C2C(=O)OCCc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 K03 compound treatment 0.267 0.0174 0.86 0.266 0.0179 0.92 1.2555 0.9994 1932222 ChemDiv1_001983 CCc1nnc(NC(=O)CN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)/SC2=S)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 K04 compound treatment 0.304 0.0544 2.68 0.286 0.0379 1.95 3.2721 0.9878 1731867 ChemDiv1_001984 Clc1ccccc1Cn2c(NC(=O)c3ccccc3)nc4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 K05 compound treatment 0.286 0.0364 1.79 0.283 0.0349 1.79 2.536 1.0 1971286 ChemDiv1_001985 Oc1ccc(cc1)N2C(=O)/C(=C\3/C(=O)Nc4ccc(Br)cc34)/SC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 K06 compound treatment 0.281 0.0314 1.55 0.272 0.0239 1.23 1.9615 0.9935 1971287 ChemDiv1_001986 FC(F)(F)c1cc(ccc1Cl)N2C(=O)C3C(C4CCC3C=C4)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 K07 compound treatment 0.259 0.00938 0.46 0.256 0.00786 0.4 0.6129 0.9978 1195210 ChemDiv1_001987 COc1ccc(cc1)C(=O)COC(=O)CSc2nc3ccccc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 K08 compound treatment 0.267 0.0174 0.86 0.263 0.0149 0.77 1.1463 0.9984 1971288 ChemDiv1_001988 CCOC(=O)c1ccc(cc1)c2ccc(/C=C\3/C(=NN(C3=O)c4cccc(Cl)c4)C)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 K09 compound treatment 0.286 0.0364 1.79 0.274 0.0259 1.33 2.2084 0.9893 1453359 ChemDiv1_001989 COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c3ccc(Cl)c(Cl)c3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 K10 compound treatment 0.258 0.00838 0.41 0.258 0.00986 0.51 0.6508 0.9947 1301725 ChemDiv1_001990 COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c3cc(Br)c(O)c(OC)c3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 K11 compound treatment 0.275 0.0254 1.25 0.272 0.0239 1.23 1.7525 1.0 1427294 ChemDiv1_001991 COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c3ccc(Cl)cc3Cl)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 K12 compound treatment 0.261 0.0114 0.56 0.26 0.0119 0.61 0.8281 0.9991 1971289 ChemDiv1_001992 COc1cc(cc(Br)c1O)C2NC(=O)NC(=C2C(=O)OCCSC)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 K13 compound treatment 0.259 0.00938 0.46 0.255 0.00686 0.35 0.5764 0.9912 1971290 ChemDiv1_001993 COc1ccc(/C=C/2\N=C(OC2=O)c3c(C)onc3c4ccccc4)c(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 K14 compound treatment 0.261 0.0114 0.56 0.26 0.0119 0.61 0.8281 0.9991 1971291 ChemDiv1_001994 CC(=O)n1cc(/C=C/2\N=C(OC2=O)c3ccc(Cl)cc3)c4cc(Br)ccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 K15 compound treatment 0.264 0.0144 0.71 0.265 0.0169 0.87 1.1146 0.9949 1971292 ChemDiv1_001995 COc1cc(/C=C/2\N=C(OC2=O)c3cc(ccc3Cl)[N+](=O)[O-])cc(Br)c1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 K16 compound treatment 0.283 0.0334 1.64 0.281 0.0329 1.69 2.3588 0.9999 1509207 ChemDiv1_001996 COc1ccc(cc1OC)c2cc(C(=O)NCc3ccc4OCOc4c3)c5ccccc5n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 K17 compound treatment 0.273 0.0234 1.15 0.266 0.0179 0.92 1.4645 0.9938 1971293 ChemDiv1_001997 COc1ccccc1/C=C/C/2=N/C(=C\c3cc(Br)ccc3OC)/C(=O)O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 K18 compound treatment 0.262 0.0124 0.61 0.262 0.0139 0.71 0.9357 0.9969 1971294 ChemDiv1_001998 CCOc1ccc(NC(=O)c2cc(nc3ccccc23)c4ccc(OC)c(OC)c4)c(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 K19 compound treatment 0.259 0.00938 0.46 0.253 0.00486 0.25 0.5036 0.9586 1710024 ChemDiv1_001999 CCOC(=O)c1ccc(Nc2nnc(s2)c3cc4c(ccc5ccccc54)oc3=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 K20 compound treatment 0.262 0.0124 0.61 0.259 0.0109 0.56 0.8265 0.9991 1458520 ChemDiv1_002000 COc1cc(Br)c(cc1OC)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)OCc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 K21 compound treatment 0.253 0.00338 0.17 0.253 0.00486 0.25 0.2947 0.9803 1971295 ChemDiv1_002001 COc1ccc(cc1OC)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)OCCOc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 K22 compound treatment 0.261 0.0114 0.56 0.265 0.0169 0.87 1.0101 0.9776 1526287 ChemDiv1_002002 CCOc1cc(cc(OCC)c1OCC)C(=O)Nc2ccc(Cl)c(c2)c3nc4cc(C)c(C)cc4o3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 K23 mock treatment 0.253 0.00338 0.17 0.256 0.00786 0.4 0.4039 0.9229 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 K24 mock treatment 0.254 0.00438 0.22 0.252 0.00386 0.2 0.2931 0.9992 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 L01 compound treatment 0.249 -6.21E-4 -0.03 0.247 -0.00114 -0.06 -0.063 -0.954 1923690 ChemDiv1_002003 CCN1C(=O)/C(=C/2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)/c4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 L02 compound treatment 0.283 0.0334 1.64 0.277 0.0289 1.49 2.2131 0.9987 1971296 ChemDiv1_002004 COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c3cccc(Br)c3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 L03 compound treatment 0.257 0.00738 0.36 0.253 0.00486 0.25 0.434 0.9834 1971297 ChemDiv1_002005 CN1C(=O)/C(=C/2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)/c4cc(Br)ccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 L04 compound treatment 0.306 0.0564 2.78 0.308 0.0599 3.08 4.1426 0.9986 1565440 ChemDiv1_002006 CC1=C(C(NC(=O)N1)c2cccc(OCc3ccccc3)c2)C(=O)OCCc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 L05 compound treatment 0.265 0.0154 0.76 0.262 0.0139 0.71 1.0402 0.9996 1563180 ChemDiv1_002007 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2ccc3sc(C)nc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 L06 compound treatment 0.258 0.00838 0.41 0.257 0.00886 0.46 0.6144 0.9987 1971298 ChemDiv1_002008 CCCCCOC(=O)C1=C(C)NC(=O)NC1c2cccc(OCc3ccccc3)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 L07 compound treatment 0.252 0.00238 0.12 0.254 0.00586 0.3 0.2963 0.9151 1564043 ChemDiv1_002009 COc1ccc(c2nnc(NC(=O)c3ccc(cc3)C(=O)c4ccccc4)s2)c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 L08 compound treatment 0.267 0.0174 0.86 0.263 0.0149 0.77 1.1463 0.9984 1971299 ChemDiv1_002010 COc1ccccc1N(CCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c5cccc(c5)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 L09 compound treatment 0.284 0.0344 1.69 0.274 0.0259 1.33 2.1388 0.9929 1696875 ChemDiv1_002011 COc1cc2ccccc2cc1C(=O)Nc3nc-4c(CCc5ccccc45)s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 L10 compound treatment 0.254 0.00438 0.22 0.251 0.00286 0.15 0.2567 0.9827 1971300 ChemDiv1_002012 CCOC(=O)c1c(oc2c1cc(OC(=O)c3cccc(c3)[N+](=O)[O-])c4ccccc24)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 L11 compound treatment 0.276 0.0264 1.3 0.27 0.0219 1.13 1.7145 0.9974 1342243 ChemDiv1_002013 COc1ccccc1C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 L12 compound treatment 0.266 0.0164 0.81 0.26 0.0119 0.61 1.0022 0.9906 1971301 ChemDiv1_002014 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3cccs3)c(Br)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 L13 compound treatment 0.285 0.0354 1.74 0.287 0.0389 2.0 2.6468 0.9976 1971302 ChemDiv1_002015 FS(=O)(=O)CCSc1nc2sc3CCCCc3c2c(=O)n1c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 L14 compound treatment 0.255 0.00538 0.26 0.249 8.62E-4 0.04 0.2187 0.8142 1692739 ChemDiv1_002016 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nnc(s2)c3ccc(Cl)cc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 L15 compound treatment 0.307 0.0574 2.83 0.306 0.0579 2.98 4.1047 0.9997 1971303 ChemDiv1_002017 NNc1nc(c2ccccc2Cl)c3cc(Br)ccc3n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 L16 compound treatment 0.256 0.00638 0.31 0.255 0.00686 0.35 0.472 0.9983 1318724 ChemDiv1_002018 CC1(OC2(C)C=C1)C3C2C(=O)N(C3=O)c4ccccc4C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 L17 compound treatment 0.27 0.0204 1.0 0.267 0.0189 0.97 1.3964 0.9999 1971304 ChemDiv1_002019 CC(=O)NC(=O)c1cc2ccc(OC(=O)C)cc2oc1=Nc3ccc(cc3)C(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 L18 compound treatment 0.258 0.00838 0.41 0.256 0.00786 0.4 0.578 1.0 1971305 ChemDiv1_002020 [O-][N+](=O)c1cc(Br)ccc1N2C(=O)C3C4OC(C=C4)C3C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 L19 compound treatment 0.282 0.0324 1.59 0.259 0.0109 0.56 1.5231 0.9012 1971306 ChemDiv1_002021 CNc1nc2n(C)c(=O)[nH]c(=O)c2n1CCCCCn3c(NC)nc4n(C)c(=O)[nH]c(=O)c34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 L20 compound treatment 0.258 0.00838 0.41 0.257 0.00886 0.46 0.6144 0.9987 1971307 ChemDiv1_002022 COc1ccc(cc1N2C(=O)C3C4OC(C=C4)C3C2=O)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 L21 compound treatment 0.248 -0.00162 -0.08 0.248 -1.38E-4 -0.01 -0.0615 -0.767 1309374 ChemDiv1_002023 CCCOc1ccc(cc1OC)C2NC(=O)NC(=C2C(=O)OC3CCCCCCC3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 L22 compound treatment 0.254 0.00438 0.22 0.262 0.0139 0.71 0.6571 0.8814 1971308 ChemDiv1_002024 COc1cc(ccc1Oc2ccc(cc2C(F)(F)F)[N+](=O)[O-])C3C4=C(CC(C)(C)CC4=O)OC5=C3C(=O)CC(C)(C)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 L23 mock treatment 0.255 0.00538 0.26 0.256 0.00786 0.4 0.4735 0.9789 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 L24 mock treatment 0.248 -0.00162 -0.08 0.255 0.00686 0.35 0.1934 0.5339 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 M01 compound treatment 0.24 -0.00962 -0.47 0.243 -0.00514 -0.26 -0.5221 -0.9621 1971309 ChemDiv1_002025 CCOC(=O)C(C)Oc1ccc2c(=O)c(c3csc(C)n3)c(oc2c1)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 M02 compound treatment 0.257 0.00738 0.36 0.258 0.00986 0.51 0.616 0.9866 1781938 ChemDiv1_002026 CCN1C(=C(C(NC1=O)c2ccc(cc2)[N+](=O)[O-])C(=O)OCCc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 M03 compound treatment 0.289 0.0394 1.94 0.29 0.0419 2.16 2.8953 0.9986 1922805 ChemDiv1_002027 Cc1ccccc1N2C(=O)/C(=C\3/C(=O)Nc4ccc(Br)cc34)/SC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 M04 compound treatment 0.319 0.0694 3.42 0.307 0.0589 3.03 4.559 0.9982 1696666 ChemDiv1_002028 CC(C)(C)c1ccc(Cn2c(NC(=O)c3ccccc3)nc4ccccc24)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 M05 compound treatment 0.27 0.0204 1.0 0.268 0.0199 1.02 1.4328 1.0 1926328 ChemDiv1_002029 COc1ccc(/C=C/2\SC(=S)N(CC(=O)Nc3ncc(Cc4cccc(c4)[N+](=O)[O-])s3)C2=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 M06 compound treatment 0.292 0.0424 2.09 0.271 0.0229 1.18 2.3082 0.9632 1971310 ChemDiv1_002030 CCOC(=O)c1cccc(c1)N2C(=O)C3C(C4CCC3C=C4)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 M07 compound treatment 0.256 0.00638 0.31 0.252 0.00386 0.2 0.3628 0.9756 1779731 ChemDiv1_002031 OC(=O)c1cccnc1SCc2ccc(cc2)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 M08 compound treatment 0.268 0.0184 0.91 0.265 0.0169 0.87 1.2539 0.9998 1971311 ChemDiv1_002032 Clc1ccc(cc1C(=O)OCC=C)c2ccc(C=C3C(=O)NC(=O)NC3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 M09 compound treatment 0.294 0.0444 2.19 0.286 0.0379 1.95 2.9239 0.9984 1450635 ChemDiv1_002033 COc1cc(cc(OC)c1OC)C2NC(=O)NC(=C2C(=O)OC3CCCCCCC3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 M10 compound treatment 0.26 0.0104 0.51 0.255 0.00686 0.35 0.6113 0.9837 1224954 ChemDiv1_002034 COc1cc(cc(Br)c1O)C2NC(=O)NC(=C2C(=O)OCC3CCCO3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 M11 compound treatment 0.321 0.0714 3.52 0.313 0.0649 3.34 4.8471 0.9997 1519371 ChemDiv1_002035 COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c3cc(Cl)c(O)c(OC)c3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 M12 compound treatment 0.286 0.0364 1.79 0.287 0.0389 2.0 2.6817 0.9985 1552607 ChemDiv1_002036 COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c3ccccc3OC(C)C)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 M13 compound treatment 0.345 0.0954 4.7 0.337 0.0889 4.57 6.5566 0.9999 1971312 ChemDiv1_002037 Cc1onc(c1C2=N/C(=C\c3cc(Br)cs3)/C(=O)O2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 M14 compound treatment 0.258 0.00838 0.41 0.256 0.00786 0.4 0.578 1.0 1971313 ChemDiv1_002038 CC(=O)n1cc(/C=C/2\N=C(OC2=O)c3cccc(C)c3)c4cc(Br)ccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 M15 compound treatment 0.253 0.00338 0.17 0.252 0.00386 0.2 0.2583 0.9961 1971314 ChemDiv1_002039 COc1ccc(/C=C/2\N=C(OC2=O)c3cc(ccc3Cl)[N+](=O)[O-])c(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 M16 compound treatment 0.276 0.0264 1.3 0.272 0.0239 1.23 1.7873 0.9996 1549520 ChemDiv1_002040 CCN(CC)C(=O)c1sc(NC(=O)c2cc(nc3ccccc23)c4ccc(Br)cc4)c(C#N)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 M17 compound treatment 0.259 0.00938 0.46 0.257 0.00886 0.46 0.6493 1.0 1736340 ChemDiv1_002041 Brc1ccc(cc1S(=O)(=O)N2CCOCC2)C(=O)Nc3nnc(s3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 M18 compound treatment 0.255 0.00538 0.26 0.254 0.00586 0.3 0.4007 0.9979 1971315 ChemDiv1_002042 COCCOC(=O)C1=C(C)OC(=C(C#N)C1c2ccc(Br)cc2)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 M19 compound treatment 0.267 0.0174 0.86 0.254 0.00586 0.3 0.8187 0.902 1621870 ChemDiv1_002043 COc1ccc(N=c2oc3ccccc3cc2C(=O)Nc4ccccc4OC)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 M20 compound treatment 0.342 0.0924 4.55 0.314 0.0659 3.39 5.6148 0.9895 1505256 ChemDiv1_002044 CC1=C(C(C2=C(CCCC2=O)N1)c3cc4OCOc4cc3Br)C(=O)OCCc5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 M21 compound treatment 0.31 0.0604 2.97 0.297 0.0489 2.52 3.8815 0.9965 1971316 ChemDiv1_002045 COc1ccc(OC)c(c1)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)OCCOc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 M22 compound treatment 0.254 0.00438 0.22 0.253 0.00486 0.25 0.3295 0.9973 1593930 ChemDiv1_002046 CCOc1cc(cc(OCC)c1OCC)C(=O)Nc2ccc(cc2)C(=O)Nc3cccc(c3)c4nc5ccccc5o4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 M23 mock treatment 0.253 0.00338 0.17 0.251 0.00286 0.15 0.2219 0.9982 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 M24 mock treatment 0.25 3.79E-4 0.02 0.25 0.00186 0.1 0.081 0.8293 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 N01 compound treatment 0.248 -0.00162 -0.08 0.254 0.00586 0.3 0.157 0.5028 1941725 ChemDiv1_002047 Clc1ccccc1C(=O)NN2C(=O)/C(=C\3/C(=O)Nc4ccc(Br)cc34)/SC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 N02 compound treatment 0.267 0.0174 0.86 0.262 0.0139 0.71 1.1099 0.9959 1376968 ChemDiv1_002048 CC1=C(C(NC(=O)N1)c2ccccc2OCc3ccccc3)C(=O)OCC4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 N03 compound treatment 0.257 0.00738 0.36 0.257 0.00886 0.46 0.5796 0.9937 1971317 ChemDiv1_002049 CCOC(=O)CN1C(=O)/C(=C/2\SC(=S)N(NC(=O)c3cccnc3)C2=O)/c4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 N04 compound treatment 0.267 0.0174 0.86 0.258 0.00986 0.51 0.9643 0.9689 1971318 ChemDiv1_002050 CC1=C(C(NC(=O)N1)c2cccc(Br)c2)C(=O)OCc3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 N05 compound treatment 0.256 0.00638 0.31 0.251 0.00286 0.15 0.3264 0.9404 1971319 ChemDiv1_002051 [O-][N+](=O)c1cccc(c1)c2nnc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 N06 compound treatment 0.286 0.0364 1.79 0.281 0.0329 1.69 2.4632 0.9996 1648365 ChemDiv1_002052 COc1cc(ccc1OCc2ccccc2)C3NC(=O)NC(=C3C(=O)OCC4CCCCC4)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 N07 compound treatment 0.255 0.00538 0.26 0.253 0.00486 0.25 0.3643 0.9996 1367885 ChemDiv1_002053 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nnc(s2)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 N08 compound treatment 0.259 0.00938 0.46 0.256 0.00786 0.4 0.6129 0.9978 1971320 ChemDiv1_002054 COc1ccccc1N(CCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c5cc(OC)c(OC)c(OC)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 N09 compound treatment 0.255 0.00538 0.26 0.255 0.00686 0.35 0.4371 0.9899 1971321 ChemDiv1_002055 COc1ccc(cc1)C2CC(=NN2CN3C(=O)C(=O)c4ccccc34)c5ccc(OC)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 N10 compound treatment 0.253 0.00338 0.17 0.251 0.00286 0.15 0.2219 0.9982 1185592 ChemDiv1_002056 CCOC(=O)c1c(oc2c1cc(OC(=O)c3ccc(cc3)S(=O)(=O)N(C)C)c4ccccc24)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 N11 compound treatment 0.252 0.00238 0.12 0.248 -1.38E-4 -0.01 0.0778 0.663 1382490 ChemDiv1_002057 CCc1c2CCCc2nc(SCC(=O)c3cc4ccccc4oc3=O)c1C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 N12 compound treatment 0.255 0.00538 0.26 0.253 0.00486 0.25 0.3643 0.9996 1449777 ChemDiv1_002058 CN(C(=O)NC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nc(C)cc(C)n2)S(=O)(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 N13 compound treatment 0.272 0.0224 1.1 0.27 0.0219 1.13 1.5752 0.9999 1971322 ChemDiv1_002059 Cc1nc(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N)c3c4CCCCc4sc3n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 N14 compound treatment 0.251 0.00138 0.07 0.251 0.00286 0.15 0.1522 0.9382 1424072 ChemDiv1_002060 Clc1ccc(c2nnc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCOCC4)s2)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 N15 compound treatment 0.262 0.0124 0.61 0.259 0.0109 0.56 0.8265 0.9991 1971323 ChemDiv1_002061 COc1ccc(cc1)C2=NN(C(C2)c3nc4ccccc4[nH]3)C(=O)c5ccc(Br)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 N16 compound treatment 0.251 0.00138 0.07 0.251 0.00286 0.15 0.1522 0.9382 1971324 ChemDiv1_002062 CC1(OC2(C)C=C1)C3C2C(=O)N(C3=O)c4cc(ccc4Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 N17 compound treatment 0.269 0.0194 0.95 0.263 0.0149 0.77 1.2159 0.994 1971325 ChemDiv1_002063 CC(=O)NC(=O)c1cc2cc(Br)ccc2oc1=Nc3ccc(cc3)C(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 N18 compound treatment 0.25 3.79E-4 0.02 0.249 8.62E-4 0.04 0.0446 0.9261 1341482 ChemDiv1_002064 O=C1C2C3OC(C=C3)C2C(=O)N1c4ccc(C#N)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 N19 compound treatment 0.268 0.0184 0.91 0.276 0.0279 1.43 1.6543 0.9754 1929769 ChemDiv1_002065 COC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(Cl)c(c3)[N+](=O)[O-])cc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 N20 compound treatment 0.262 0.0124 0.61 0.249 8.62E-4 0.04 0.4625 0.7566 1971326 ChemDiv1_002066 Cc1ccc(cc1N2C(=O)C3C4OC(C=C4)C3C2=O)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 N21 compound treatment 0.263 0.0134 0.66 0.259 0.0109 0.56 0.8614 0.9967 1351509 ChemDiv1_002067 COc1ccc(OC)c(c1)C2NC(=O)NC(=C2C(=O)OCc3ccc4OCOc4c3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 N22 compound treatment 0.252 0.00238 0.12 0.25 0.00186 0.1 0.1506 0.995 1932899 ChemDiv1_002068 Cc1cc(C)c2nc3sc(=Cc4cccn4c5ccc(cc5)[N+](=O)[O-])c(=O)n3c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 N23 mock treatment 0.254 0.00438 0.22 0.251 0.00286 0.15 0.2567 0.9827 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 N24 mock treatment 0.255 0.00538 0.26 0.25 0.00186 0.1 0.2551 0.9055 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 O01 compound treatment 0.262 0.0124 0.61 0.255 0.00686 0.35 0.6809 0.9663 1971327 ChemDiv1_002069 CCc1cc2c(=O)c(c3ccc4OCOc4c3)c(oc2c(CN(C)C)c1O)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 O02 compound treatment 0.25 3.79E-4 0.02 0.248 -1.38E-4 -0.01 0.0082 0.4097 1640286 ChemDiv1_002070 COc1ccc(Nc2nc(nc(n2)N3CCOCC3)N4CCOCC4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 O03 compound treatment 0.247 -0.00262 -0.13 0.253 0.00486 0.25 0.0857 0.3044 1971328 ChemDiv1_002071 COc1ccc(cc1)N2C(=O)/C(=C\3/C(=O)Nc4ccc(Br)cc34)/SC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 O04 compound treatment 0.255 0.00538 0.26 0.257 0.00886 0.46 0.5099 0.9666 1648428 ChemDiv1_002072 COc1ccc(cc1OC)C(=O)CSc2nc3cc(Cl)ccc3[nH]2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 O05 compound treatment 0.288 0.0384 1.89 0.287 0.0389 2.0 2.7513 0.9996 1971329 ChemDiv1_002073 CCCCOC(=O)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3)/C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 O06 compound treatment 0.248 -0.00162 -0.08 0.246 -0.00214 -0.11 -0.1343 -0.9876 1971330 ChemDiv1_002074 CC1(OC2C=C1)C3C2C(=O)N(C3=O)c4cc(ccc4Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 O07 compound treatment 0.257 0.00738 0.36 0.252 0.00386 0.2 0.3976 0.9597 1369605 ChemDiv1_002075 CCOc1ccc(cc1)c2nc3ccc(Cl)cn3c2C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 O08 compound treatment 0.259 0.00938 0.46 0.258 0.00986 0.51 0.6857 0.9989 1971331 ChemDiv1_002076 CN1C(=O)N(C)C(=O)C(=Cc2ccc(o2)c3ccc(Cl)c(c3)C(=O)OCC=C)C1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 O09 compound treatment 0.272 0.0224 1.1 0.272 0.0239 1.23 1.648 0.9985 1971332 ChemDiv1_002077 CSCCOC(=O)C1=C(C)NC(=O)NC1c2ccccc2OCc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 O10 compound treatment 0.248 -0.00162 -0.08 0.247 -0.00114 -0.06 -0.0979 -0.9884 1281759 ChemDiv1_002078 CC1=C(C(NC(=O)N1)c2ccccc2OCc3ccccc3)C(=O)OCC4CCCO4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 O11 compound treatment 0.259 0.00938 0.46 0.255 0.00686 0.35 0.5764 0.9912 1938419 ChemDiv1_002079 COc1cc(cc(Cl)c1O)C2NC(=O)NC(=C2C(=O)OCCOc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 O12 compound treatment 0.247 -0.00262 -0.13 0.249 8.62E-4 0.04 -0.0599 -0.4388 1447733 ChemDiv1_002080 CC1=C(C(NC(=O)N1)c2cc3OCOc3cc2Br)C(=O)OCc4ccco4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 O13 compound treatment 0.249 -6.21E-4 -0.03 0.249 8.62E-4 0.04 0.0098 0.1812 1971333 ChemDiv1_002081 CCOc1ccc(/C=C/2\N=C(OC2=O)c3c(C)onc3c4ccccc4)c(OC(=O)C)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 O14 compound treatment 0.253 0.00338 0.17 0.251 0.00286 0.15 0.2219 0.9982 1971334 ChemDiv1_002082 COc1ccc(cc1[N+](=O)[O-])C2=N/C(=C\c3cn(C(=O)C)c4ccc(Br)cc34)/C(=O)O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 O15 compound treatment 0.25 3.79E-4 0.02 0.253 0.00486 0.25 0.1902 0.7578 1971335 ChemDiv1_002083 [O-][N+](=O)c1ccc(Cl)c(c1)C2=N/C(=C/c3cc(Br)cs3)/C(=O)O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 O16 compound treatment 0.276 0.0264 1.3 0.281 0.0329 1.69 2.115 0.9915 1662549 ChemDiv1_002084 CCN(CC)C(=O)c1sc(NC(=O)c2c(C)onc2c3ccccc3)c(C(=O)OC(C)C)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 O17 compound treatment 0.255 0.00538 0.26 0.256 0.00786 0.4 0.4735 0.9789 1971336 ChemDiv1_002085 COc1ccc2nc(nc(c3cccc(c3)[N+](=O)[O-])c2c1)c4ccc(cc4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 O18 compound treatment 0.264 0.0144 0.71 0.262 0.0139 0.71 1.0054 1.0 1941579 ChemDiv1_002086 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cc(Br)c(O)c(OCC)c3)C(=O)CCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 O19 compound treatment 0.244 -0.00562 -0.28 0.247 -0.00114 -0.06 -0.2372 -0.8382 1321319 ChemDiv1_002087 CCOC(=O)c1ccc(N=c2oc3ccccc3cc2C(=O)Nc4ccc(F)cc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 O20 compound treatment 0.305 0.0554 2.73 0.279 0.0309 1.59 3.0521 0.9669 1971337 ChemDiv1_002088 CCCCCOC(=O)C1=C(C)NC2=C(C1c3cc(Br)c(O)c(OCC)c3)C(=O)CCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 O21 compound treatment 0.246 -0.00362 -0.18 0.247 -0.00114 -0.06 -0.1675 -0.8925 1940319 ChemDiv1_002089 CCN1C(=C(C(NC1=O)c2ccc(cc2)[N+](=O)[O-])C(=O)OCCOc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 O22 compound treatment 0.246 -0.00362 -0.18 0.243 -0.00514 -0.26 -0.3131 -0.9816 1140933 ChemDiv1_002090 COc1ccc(Cl)cc1C(=O)Nc2ccc(cc2)C(=O)Nc3cccc(c3)c4nc5ccccc5o4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 O23 mock treatment 0.249 -6.21E-4 -0.03 0.249 8.62E-4 0.04 0.0098 0.1812 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 O24 mock treatment 0.236 -0.0136 -0.67 0.226 -0.0221 -1.14 -1.2802 -0.9681 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 P01 compound treatment 0.21 -0.0396 -1.95 0.199 -0.0491 -2.53 -3.1686 -0.9918 1682080 ChemDiv1_002091 COC(=O)c1c(NC(=O)C2COc3ccccc3O2)sc4CCCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 P02 compound treatment 0.255 0.00538 0.26 0.267 0.0189 0.97 0.874 0.8683 1548490 ChemDiv1_002092 CC1=C(C(NC(=O)N1)c2cccc(Oc3ccccc3)c2)C(=O)OCC4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 P03 compound treatment 0.247 -0.00262 -0.13 0.249 8.62E-4 0.04 -0.0599 -0.4388 1971338 ChemDiv1_002093 Clc1ccccc1CN2C(=O)/C(=C/3\SC(=S)N(NC(=O)c4cccnc4)C3=O)/c5ccccc25 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 P04 compound treatment 0.298 0.0484 2.38 0.295 0.0469 2.41 3.3908 1.0 1587995 ChemDiv1_002094 CCOc1cc(cc(Br)c1O)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccccc4)C(=O)OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 P05 compound treatment 0.247 -0.00262 -0.13 0.229 -0.0191 -0.99 -0.7879 -0.793 1136255 ChemDiv1_002095 Cc1ccc(cc1)c2nnc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 P06 compound treatment 0.296 0.0464 2.28 0.296 0.0479 2.46 3.3575 0.9993 1618150 ChemDiv1_002096 CCOC(=O)C1=C(C)NC2=C(C1c3cc(Br)c(O)c(OC)c3)C(=O)CC(C2)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 P07 compound treatment 0.242 -0.00762 -0.38 0.236 -0.0121 -0.62 -0.7073 -0.9703 1153039 ChemDiv1_002097 Clc1ccc(c2nnc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCC4)s2)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 P08 compound treatment 0.235 -0.0146 -0.72 0.244 -0.00414 -0.21 -0.6598 -0.8786 1971339 ChemDiv1_002098 COc1ccccc1N(CCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c5cccs5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 P09 compound treatment 0.254 0.00438 0.22 0.253 0.00486 0.25 0.3295 0.9973 1971340 ChemDiv1_002099 Brc1ccc(cc1)c2nc3ccccn3c2Sc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 P10 compound treatment 0.248 -0.00162 -0.08 0.241 -0.00714 -0.37 -0.3163 -0.8411 1971341 ChemDiv1_002100 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4ccccc4[N+](=O)[O-])cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 P11 compound treatment 0.251 0.00138 0.07 0.238 -0.0101 -0.52 -0.321 -0.6099 1244278 ChemDiv1_002101 Cc1ccc2cc(C3CC(=NN3C(=O)CCC(=O)O)c4ccc(Br)cc4)c(Cl)nc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 P12 compound treatment 0.315 0.0654 3.22 0.319 0.0709 3.65 4.8565 0.9981 1971342 ChemDiv1_002102 NS(=O)(=O)c1ccc(cc1)c2ccc(/C=C\3/SC(=S)N(C4CCS(=O)(=O)C4)C3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 P13 compound treatment 0.26 0.0104 0.51 0.252 0.00386 0.2 0.5021 0.9153 1971343 ChemDiv1_002103 CCOC(=O)c1c(oc2ccc(OCC(=O)c3ccc(Br)cc3)cc12)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 P14 compound treatment 0.247 -0.00262 -0.13 0.239 -0.00914 -0.47 -0.4239 -0.869 1166262 ChemDiv1_002104 Cc1csc(n1)c2coc3cc(OCC4OC(CO)C(O)C(O)C4O)ccc3c2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 P15 compound treatment 0.254 0.00438 0.22 0.251 0.00286 0.15 0.2567 0.9827 1927919 ChemDiv1_002105 COc1ccc(cc1)C2CC(=NN2C(=O)CCC(=O)O)c3c(c4ccccc4)c5cc(Br)ccc5[nH]c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 P16 compound treatment 0.243 -0.00662 -0.33 0.247 -0.00114 -0.06 -0.272 -0.821 1971344 ChemDiv1_002106 COc1ccc(N2C(=O)C3C(C2=O)C4(C)OC3(C)C=C4)c(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 P17 compound treatment 0.255 0.00538 0.26 0.256 0.00786 0.4 0.4735 0.9789 1508574 ChemDiv1_002107 COc1ccc2oc(=O)c(cc2c1)c3nc(cs3)c4ccc(Oc5ccccc5)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 P18 compound treatment 0.235 -0.0146 -0.72 0.224 -0.0241 -1.24 -1.3879 -0.9663 1779476 ChemDiv1_002108 [O-][N+](=O)c1ccc(Cl)c(c1)N2C(=O)C3C4OC(C=C4)C3C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 P19 compound treatment 0.278 0.0284 1.4 0.275 0.0269 1.38 1.9662 1.0 1416558 ChemDiv1_002109 COC(=O)C1=C(C)NC2=C(C1c3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)C(=O)CC(C)(C)C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 P20 compound treatment 0.248 -0.00162 -0.08 0.241 -0.00714 -0.37 -0.3163 -0.8411 1971345 ChemDiv1_002110 COc1ccc(cc1N2C(=O)C3C4OC(C=C4)C3C2=O)C(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 P21 compound treatment 0.247 -0.00262 -0.13 0.244 -0.00414 -0.21 -0.2419 -0.9712 1255634 ChemDiv1_002111 COc1ccc(cc1OC)C2NC(=O)NC(=C2C(=O)OCc3ccc4OCOc4c3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 P22 compound treatment 0.251 0.00138 0.07 0.247 -0.00114 -0.06 0.0066 0.0737 1178641 ChemDiv1_002112 Nc1c(C#N)c(c(C#N)c2nc3ccccc3n12)c4cccc5ccccc45 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 P23 mock treatment 0.226 -0.0236 -1.16 0.236 -0.0121 -0.62 -1.2645 -0.9575 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.592 P24 mock treatment 0.195 -0.0546 -2.69 0.201 -0.0471 -2.43 -3.6182 -0.9987 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 A01 compound treatment 0.185 -0.0585 -2.88 0.196 -0.0495 -2.55 -3.8387 -0.9981 1718380 ChemDiv1_002113 CCOc1ccc(cc1OC)c2c(C#N)c(N)n3c4ccccc4nc3c2C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 A02 compound treatment 0.201 -0.0425 -2.09 0.21 -0.0355 -1.83 -2.7718 -0.9977 1971346 ChemDiv1_002114 CCOc1cc([N+](=O)[O-])c2NC(C3CC=CC3c2c1)c4cccc(c4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 A03 compound treatment 0.198 -0.0455 -2.24 0.211 -0.0345 -1.78 -2.8399 -0.9933 1971347 ChemDiv1_002115 Cc1ccc(cc1Cl)c2ccc(/C=C/3\Sc4ccccc4C3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 A04 compound treatment 0.198 -0.0455 -2.24 0.203 -0.0425 -2.19 -3.1311 -0.9999 1593074 ChemDiv1_002116 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)cc3OC(=O)C)c(=O)n2C1c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 A05 compound treatment 0.203 -0.0405 -1.99 0.202 -0.0435 -2.24 -2.9934 -0.9983 1971348 ChemDiv1_002117 COc1cc(/C=C/2\SC(=N)NC2=O)ccc1Oc3ccc(cc3[N+](=O)[O-])C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 A06 compound treatment 0.195 -0.0485 -2.39 0.2 -0.0455 -2.34 -3.3448 -1.0 1690099 ChemDiv1_002118 CCOc1ccc(C=c2sc3=NC(=C(C(c4cccs4)n3c2=O)C(=O)OC)C)cc1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 A07 compound treatment 0.22 -0.0235 -1.16 0.207 -0.0385 -1.98 -2.2193 -0.9672 1933263 ChemDiv1_002119 Oc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Cl)cc3)cc1Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 A08 compound treatment 0.204 -0.0395 -1.95 0.203 -0.0425 -2.19 -2.9221 -0.9983 1358591 ChemDiv1_002120 CCCN1C(=O)C(=c2sc3=NC(=C(C(c4ccccc4)n3c2=O)C(=O)OCC)C)c5ccccc15 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 A09 compound treatment 0.216 -0.0275 -1.35 0.215 -0.0305 -1.57 -2.0674 -0.9973 1971349 ChemDiv1_002121 Cc1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3ccc(o3)c4cccc(c4)C(=O)O)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 A10 compound treatment 0.21 -0.0335 -1.65 0.23 -0.0155 -0.8 -1.7303 -0.9443 1549317 ChemDiv1_002122 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(C(=O)C)c4ccccc34)c(=O)n2C1c5ccc(OC(=O)C)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 A11 compound treatment 0.228 -0.0155 -0.76 0.244 -0.00148 -0.08 -0.5938 -0.774 1971350 ChemDiv1_002123 COc1ccc(/C=C/2\S\C(=N/c3cc(C)cc(C)c3)\NC2=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 A12 compound treatment 0.217 -0.0265 -1.31 0.232 -0.0135 -0.69 -1.4137 -0.9563 1780903 ChemDiv1_002124 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)cc3)c(=O)n2C1c4cccc(c4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 A13 compound treatment 0.23 -0.0135 -0.66 0.24 -0.00548 -0.28 -0.6697 -0.9272 1971351 ChemDiv1_002125 CN(C)c1ccc(/C=C/2\S\C(=N/c3cc(C)cc(C)c3)\NC2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 A14 compound treatment 0.208 -0.0355 -1.75 0.21 -0.0355 -1.83 -2.528 -0.9998 1207244 ChemDiv1_002126 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC=C)c4ccccc34)c(=O)n2C1c5ccc(OC(=O)C)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 A15 compound treatment 0.204 -0.0395 -1.95 0.22 -0.0255 -1.31 -2.3033 -0.9816 1924347 ChemDiv1_002127 Cc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccccc3)c(C)n1c4cccc(c4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 A16 compound treatment 0.203 -0.0405 -1.99 0.201 -0.0445 -2.29 -3.0298 -0.9976 1971352 ChemDiv1_002128 COCCOC(=O)C1=C(C)NC2=C(C1c3ccc(Br)cc3)C(=O)CC(C2)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 A17 compound treatment 0.212 -0.0315 -1.55 0.222 -0.0235 -1.21 -1.9519 -0.9924 1776596 ChemDiv1_002129 OC(=O)c1ccccc1NC(=O)c2ccc(cc2)N3C(=O)c4cccc5c(ccc(C3=O)c45)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 A18 compound treatment 0.206 -0.0375 -1.85 0.224 -0.0215 -1.11 -2.088 -0.9699 1308118 ChemDiv1_002130 COc1ccc(COC(=O)C2=C(C)NC3=C(C2c4cc(OC)c(OC)c(OC)c4)C(=O)CCC3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 A19 compound treatment 0.232 -0.0115 -0.57 0.239 -0.00648 -0.33 -0.6365 -0.9682 1781984 ChemDiv1_002131 [O-][N+](=O)c1ccc(cc1)C2Nc3c(cccc3C4C=CCC42)C(=O)N5CCCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 A20 compound treatment 0.196 -0.0475 -2.34 0.222 -0.0235 -1.21 -2.5091 -0.9528 1682607 ChemDiv1_002132 CC(C)Oc1ccccc1C2NC(=O)NC(=C2C(=O)OCc3ccc4OCOc4c3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 A21 compound treatment 0.186 -0.0575 -2.83 0.229 -0.0165 -0.85 -2.6026 -0.8803 1971353 ChemDiv1_002133 CCOc1cc([N+](=O)[O-])c2NC(C3CC=CC3c2c1)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 A22 compound treatment 0.224 -0.0195 -0.96 0.223 -0.0225 -1.16 -1.4976 -0.9957 1938321 ChemDiv1_002134 COc1cc(ccc1OCc2ccccc2)C3NC(=O)NC(=C3C(=O)OCCOC(C)C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 A23 mock treatment 0.231 -0.0125 -0.62 0.204 -0.0415 -2.14 -1.9454 -0.8753 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 A24 mock treatment 0.191 -0.0525 -2.59 0.188 -0.0575 -2.96 -3.9209 -0.9977 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 B01 compound treatment 0.242 -0.0015 -0.07 0.22 -0.0255 -1.31 -0.9799 -0.7457 1971354 ChemDiv1_002135 COCCOC(=O)C1=C(C)NC2=C(C1c3ccc(Br)cc3)C(=O)CC(C2)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 B02 compound treatment 0.254 0.0105 0.52 0.252 0.00652 0.34 0.6029 0.9781 1971355 ChemDiv1_002136 COC(=O)C1=C(C)OC(=C(C#N)C1c2ccccc2I)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 B03 compound treatment 0.288 0.0445 2.19 0.296 0.0505 2.6 3.3888 0.9964 1620902 ChemDiv1_002137 CCC(C)OC(=O)C1=C(C)NC2=C(C1c3ccc(OC)c(OC)c3)C(=O)CC(C2)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 B04 compound treatment 0.337 0.0935 4.61 0.343 0.0975 5.02 6.8062 0.9991 1971356 ChemDiv1_002138 CCOC(=O)C1=C(CSc2nc(ccc2C#N)c3ccncc3)OC(=C(C#N)C1c4cccnc4)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 B05 compound treatment 0.252 0.0085 0.42 0.257 0.0115 0.59 0.7153 0.9855 1971357 ChemDiv1_002139 FC(F)(F)c1ccccc1C2SCC(=O)N2c3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 B06 compound treatment 0.254 0.0105 0.52 0.256 0.0105 0.54 0.7485 0.9997 1310442 ChemDiv1_002140 CCOC(=O)C1=C(N)OC(=C(C(=O)OC)C21C(=O)Nc3ccccc32)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 B07 compound treatment 0.254 0.0105 0.52 0.256 0.0105 0.54 0.7485 0.9997 1971358 ChemDiv1_002141 Clc1ccc(cc1)C2CC(=NN2C(=O)c3cccs3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 B08 compound treatment 0.291 0.0475 2.34 0.296 0.0505 2.6 3.4932 0.9986 1327696 ChemDiv1_002142 CC1=C(C(=O)OCC=C)C2(C(=O)Nc3ccccc32)C(=C(N)O1)C(=O)OCc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 B09 compound treatment 0.259 0.0155 0.76 0.263 0.0175 0.9 1.1775 0.9966 1191664 ChemDiv1_002143 COc1cccc(C2NC(=O)NC(=C2C(=O)OCc3ccc4OCOc4c3)C)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 B10 compound treatment 0.264 0.0205 1.01 0.254 0.00852 0.44 1.024 0.9303 1225814 ChemDiv1_002144 CC(C)OC(=O)C1=C(C)OC(=C(C(=O)OC(C)(C)C)C21C(=O)Nc3ccccc32)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 B11 compound treatment 0.259 0.0155 0.76 0.257 0.0115 0.59 0.9591 0.9922 1971359 ChemDiv1_002145 CN/1C(=O)/C(=C\2/Sc3ccccc3N2C)/S\C1=N/c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 B12 compound treatment 0.261 0.0175 0.86 0.258 0.0125 0.64 1.0651 0.9897 1203482 ChemDiv1_002146 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C32C(=O)Nc4ccc(Br)cc43)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 B13 compound treatment 0.256 0.0125 0.62 0.261 0.0155 0.8 1.0002 0.9917 1781306 ChemDiv1_002147 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 B14 compound treatment 0.264 0.0205 1.01 0.255 0.00952 0.49 1.0604 0.9449 1782696 ChemDiv1_002148 NC1=C(C#N)C2(C(=O)Nc3ccc(Br)cc32)c4c(O1)c5ccccc5oc4=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 B15 compound treatment 0.259 0.0155 0.76 0.254 0.00852 0.44 0.8499 0.9653 1351264 ChemDiv1_002149 CCOC(=O)c1ccc(N=c2oc3cc(ccc3cc2C(=O)N)N(CC)CC)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 B16 compound treatment 0.258 0.0145 0.71 0.263 0.0175 0.9 1.1427 0.9933 1690981 ChemDiv1_002150 CC1=C(C(=O)OCC=C)C2(C(=O)Nc3ccc(Cl)cc32)C(=C(N)O1)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 B17 compound treatment 0.261 0.0175 0.86 0.266 0.0205 1.06 1.3563 0.9949 1449343 ChemDiv1_002151 CCN(CC)c1ccc2cc(C(=O)NC(=O)C)c(=Nc3cccc(F)c3)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 B18 compound treatment 0.259 0.0155 0.76 0.259 0.0135 0.7 1.0319 0.9989 1971360 ChemDiv1_002152 COc1ccc(Br)cc1C2SCC(=O)N2c3ccc(NC(=O)C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 B19 compound treatment 0.256 0.0125 0.62 0.252 0.00652 0.34 0.6726 0.9593 1375320 ChemDiv1_002153 CCOC(=O)CC1=C(C(C(=C(N)O1)C#N)c2ccccc2F)C(=O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 B20 compound treatment 0.253 0.0095 0.47 0.254 0.00852 0.44 0.6409 0.9995 1608537 ChemDiv1_002154 COc1cccc2C3C=CCC3C(Nc12)c4ccccc4Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 B21 compound treatment 0.249 0.0055 0.27 0.25 0.00452 0.23 0.356 0.9971 1294561 ChemDiv1_002155 CCOC(=O)CC1=C(C(C(=C(N)O1)C#N)c2c(F)cccc2Cl)C(=O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 B22 compound treatment 0.25 0.0065 0.32 0.251 0.00552 0.28 0.4272 0.9982 1387897 ChemDiv1_002156 CCC(C)c1ccc2oc(nc2c1)c3ccc(NC(=O)c4ccc(OC)c(OC)c4)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 B23 mock treatment 0.247 0.0035 0.17 0.25 0.00452 0.23 0.2863 0.9891 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 B24 mock treatment 0.219 -0.0245 -1.21 0.242 -0.00348 -0.18 -0.98 -0.8034 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 C01 compound treatment 0.223 -0.0205 -1.01 0.245 -4.83E-4 -0.02 -0.7315 -0.7243 1704014 ChemDiv1_002157 Nc1nonc1c2nc3ccccc3n2Cc4nc(N)nc(N)n4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 C02 compound treatment 0.237 -0.0065 -0.32 0.241 -0.00448 -0.23 -0.3896 -0.9871 1459860 ChemDiv1_002158 CCOC(=O)c1cc2C3C=CCC3CN4C(C5CC=CC5c(c1)c42)c6ccc(Cl)cc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 C03 compound treatment 0.246 0.0025 0.12 0.244 -0.00148 -0.08 0.0331 0.2284 1971361 ChemDiv1_002159 Cn1c(=O)n(C)c2cc(/C=C/3\S/C(=N\c4ccccc4)/N(C3=O)c5ccccc5)ccc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 C04 compound treatment 0.247 0.0035 0.17 0.25 0.00452 0.23 0.2863 0.9891 1302106 ChemDiv1_002160 CCCN1C(=O)C(=c2sc3=NC(=C(C(c4cccs4)n3c2=O)C(=O)OCC)C)c5ccccc15 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 C05 compound treatment 0.262 0.0185 0.91 0.267 0.0215 1.11 1.4276 0.9953 1971362 ChemDiv1_002161 CC1CCN(CC1)c2ccc(/C=C/3\SC(=N)NC3=O)cc2[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 C06 compound treatment 0.247 0.0035 0.17 0.246 5.17E-4 0.03 0.1407 0.8068 1431599 ChemDiv1_002162 COC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(=O)C)c(=O)n2C1c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 C07 compound treatment 0.254 0.0105 0.52 0.255 0.00952 0.49 0.7121 0.9996 1971363 ChemDiv1_002163 COc1cc(Br)cc(/C=C\2/C(=O)NC(=O)N(C2=O)c3ccc(Cl)cc3)c1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 C08 compound treatment 0.254 0.0105 0.52 0.256 0.0105 0.54 0.7485 0.9997 1122765 ChemDiv1_002164 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)c(OC)c3)c(=O)n2C1c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 C09 compound treatment 0.247 0.0035 0.17 0.25 0.00452 0.23 0.2863 0.9891 1928743 ChemDiv1_002165 Cc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(O)c(Br)c3)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 C10 compound treatment 0.245 0.0015 0.07 0.247 0.00152 0.08 0.1075 0.9996 1598076 ChemDiv1_002166 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3)c(=O)n2C1c4ccc(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 C11 compound treatment 0.271 0.0275 1.35 0.274 0.0285 1.47 1.9958 0.9992 1971364 ChemDiv1_002167 COc1ccc(/C=C/2\S\C(=N/c3cc(C)cc(C)c3)\NC2=O)c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 C12 compound treatment 0.251 0.0075 0.37 0.244 -0.00148 -0.08 0.2072 0.5494 1779958 ChemDiv1_002168 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)cc3OC(=O)C)c(=O)n2C1c4cccc(c4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 C13 compound treatment 0.243 -5.0E-4 -0.02 0.248 0.00252 0.13 0.0742 0.5627 1971365 ChemDiv1_002169 COC(=O)c1ccc(/C=C/2\S\C(=N/c3cc(C)cc(C)c3)\NC2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 C14 compound treatment 0.247 0.0035 0.17 0.247 0.00152 0.08 0.1771 0.9359 1146770 ChemDiv1_002170 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC=C)c4ccccc34)c(=O)n2C1c5ccc(OC)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 C15 compound treatment 0.254 0.0105 0.52 0.255 0.00952 0.49 0.7121 0.9996 1924303 ChemDiv1_002171 COc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3cc(C)n(c3C)c4cccc(c4)[N+](=O)[O-])/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 C16 compound treatment 0.298 0.0545 2.68 0.294 0.0485 2.5 3.6642 0.9994 1236840 ChemDiv1_002172 CCOc1ccc(cc1OC)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(Cl)cc4)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 C17 compound treatment 0.257 0.0135 0.66 0.254 0.00852 0.44 0.7802 0.9796 1778035 ChemDiv1_002173 Oc1cccc(c1)n2c(=O)c3ccc4c(=O)n(c5cccc(O)c5)c(=O)c6ccc(c2=O)c3c46 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 C18 compound treatment 0.283 0.0395 1.95 0.278 0.0325 1.67 2.5594 0.9972 1290095 ChemDiv1_002174 CCOc1cc(ccc1O)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(OC)cc4)C(=O)OC(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 C19 compound treatment 0.243 -5.0E-4 -0.02 0.243 -0.00248 -0.13 -0.1078 -0.8281 1781985 ChemDiv1_002175 Cc1ccc([N+](=O)[O-])c2C3C=CCC3C(Nc12)c4cccc(c4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 C20 compound treatment 0.242 -0.0015 -0.07 0.239 -0.00648 -0.33 -0.2882 -0.8432 1971366 ChemDiv1_002176 CC1=C(C(NC(=O)N1)c2ccc(OCc3ccccc3)cc2)C(=O)OCCOc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 C21 compound treatment 0.246 0.0025 0.12 0.247 0.00152 0.08 0.1423 0.9759 1971367 ChemDiv1_002177 COc1cc(cc2C3C=CCC3C(Nc12)c4cccc5ccccc45)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 C22 compound treatment 0.239 -0.0045 -0.22 0.238 -0.00748 -0.39 -0.4291 -0.9655 1971368 ChemDiv1_002178 CC(C)Oc1ccccc1C2NC(=O)NC(=C2C(=O)OCCOc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 C23 mock treatment 0.241 -0.0025 -0.12 0.24 -0.00548 -0.28 -0.2867 -0.9309 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 C24 mock treatment 0.238 -0.0055 -0.27 0.214 -0.0315 -1.62 -1.3376 -0.814 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 D01 compound treatment 0.233 -0.0105 -0.52 0.247 0.00152 0.08 -0.3105 -0.5936 1530621 ChemDiv1_002179 COc1cc(ccc1OCc2ccccc2)C3C(=C(C)NC4=C3C(=O)CC(C)(C)C4)C(=O)OCC5CCCO5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 D02 compound treatment 0.252 0.0085 0.42 0.25 0.00452 0.23 0.4605 0.9615 1971369 ChemDiv1_002180 COC(=O)C1=C(C)OC(=C(C#N)C1c2ccc(F)cc2)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 D03 compound treatment 0.285 0.0415 2.04 0.279 0.0335 1.73 2.6654 0.9964 1729094 ChemDiv1_002181 CN(C)c1ccc(cc1)C2NC(=O)NC(=C2C(=O)OCc3ccc4OCOc4c3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 D04 compound treatment 0.265 0.0215 1.06 0.261 0.0155 0.8 1.3136 0.9903 1286828 ChemDiv1_002182 CCOC(=O)C1=C(CSc2nc(ccc2C#N)c3ccncc3)OC(=C(C#N)C1c4ccc(OC)cc4)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 D05 compound treatment 0.257 0.0135 0.66 0.254 0.00852 0.44 0.7802 0.9796 1971370 ChemDiv1_002183 CC(=O)Nc1ccc(cc1)N2C(SCC2=O)c3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 D06 compound treatment 0.245 0.0015 0.07 0.252 0.00652 0.34 0.2895 0.8426 1971371 ChemDiv1_002184 Cc1nn(c2OC(=C(C#N)C3(C(=O)Nc4ccccc43)c12)N)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 D07 compound treatment 0.257 0.0135 0.66 0.263 0.0175 0.9 1.1078 0.9888 1971372 ChemDiv1_002185 COc1ccc(cc1)C2=NN(C(C2)c3ccc(Br)cc3)C(=O)c4cc(cc(c4)[N+](=O)[O-])[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 D08 compound treatment 0.26 0.0165 0.81 0.258 0.0125 0.64 1.0303 0.9934 1247845 ChemDiv1_002186 CCCC1=C(C(=O)OCC)C2(C(=O)Nc3ccccc32)C(=C(N)O1)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 D09 compound treatment 0.245 0.0015 0.07 0.254 0.00852 0.44 0.3623 0.8148 1971373 ChemDiv1_002187 CCSCCOC(=O)C1=C(C)NC2=C(C1c3ccc(OCc4ccccc4)c(OC)c3)C(=O)CCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 D10 compound treatment 0.278 0.0345 1.7 0.28 0.0345 1.78 2.458 0.9997 1128809 ChemDiv1_002188 CC(C)OC(=O)C1=C(C)OC(=C(C(=O)OCc2ccccc2)C31C(=O)Nc4ccccc43)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 D11 compound treatment 0.259 0.0155 0.76 0.26 0.0145 0.75 1.0683 0.9999 1971374 ChemDiv1_002189 CN/1C(=O)/C(=C\2/Sc3ccccc3N2C)/S\C1=N/c4ccc(O)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 D12 compound treatment 0.256 0.0125 0.62 0.252 0.00652 0.34 0.6726 0.9593 1971375 ChemDiv1_002190 CCOC(=O)C1=C(C)OC(=C(C(=O)OCCOC)C21C(=O)Nc3ccc(Br)cc32)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 D13 compound treatment 0.25 0.0065 0.32 0.261 0.0155 0.8 0.7912 0.9194 1320200 ChemDiv1_002191 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 D14 compound treatment 0.257 0.0135 0.66 0.251 0.00552 0.28 0.671 0.928 1673984 ChemDiv1_002192 NC1=C(C(=O)OCc2ccccc2)C3(C(=O)Nc4ccc(Br)cc43)c5c(O1)c6ccccc6oc5=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 D15 compound treatment 0.253 0.0095 0.47 0.253 0.00752 0.39 0.6045 0.9956 1581009 ChemDiv1_002193 COc1ccccc1NC(=O)c2cc3ccccc3oc2=Nc4sc5CCCCc5c4C(=O)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 D16 compound treatment 0.261 0.0175 0.86 0.26 0.0145 0.75 1.1379 0.9975 1971376 ChemDiv1_002194 Cc1n[nH]c2OC(=C(C#N)C3(C(=O)Nc4ccc(Br)cc43)c12)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 D17 compound treatment 0.266 0.0225 1.11 0.263 0.0175 0.9 1.4213 0.9948 1419082 ChemDiv1_002195 CC(=O)NC(=O)c1cc2cc(Br)ccc2oc1=Nc3ccccc3C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 D18 compound treatment 0.256 0.0125 0.62 0.256 0.0105 0.54 0.8182 0.9979 1971377 ChemDiv1_002196 COc1ccc(cc1)N2C(SCC2=O)c3cc(Br)ccc3OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 D19 compound treatment 0.253 0.0095 0.47 0.251 0.00552 0.28 0.5317 0.9714 1971378 ChemDiv1_002197 CCOC(=O)CC1=C(C(C(=C(N)O1)C#N)c2cccnc2)C(=O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 D20 compound treatment 0.243 -5.0E-4 -0.02 0.245 -4.83E-4 -0.02 -0.035 -1.0 1726686 ChemDiv1_002198 COc1cccc2C3C=CCC3C(Nc12)c4cccc(Br)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 D21 compound treatment 0.256 0.0125 0.62 0.25 0.00452 0.23 0.5998 0.9114 1971379 ChemDiv1_002199 CCOC(=O)CC1=C(C(C(=C(N)O1)C#N)c2ccccc2[N+](=O)[O-])C(=O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 D22 compound treatment 0.254 0.0105 0.52 0.251 0.00552 0.28 0.5665 0.9602 1971380 ChemDiv1_002200 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccc(O)c(c4)[N+](=O)[O-])C(=O)CC(C)(C)C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 D23 mock treatment 0.252 0.0085 0.42 0.251 0.00552 0.28 0.4969 0.9821 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 D24 mock treatment 0.246 0.0025 0.12 0.239 -0.00648 -0.33 -0.1489 -0.4186 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 E01 compound treatment 0.25 0.0065 0.32 0.252 0.00652 0.34 0.4636 0.9997 1329443 ChemDiv1_002201 COc1cc(cc(Br)c1OC)c2c(C#N)c(N)n3c4ccccc4nc3c2C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 E02 compound treatment 0.252 0.0085 0.42 0.25 0.00452 0.23 0.4605 0.9615 1522905 ChemDiv1_002202 Clc1ccc(cc1)C2C3CC=CC3c4cc(Cl)cc5C6C=CCC6CN2c54 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 E03 compound treatment 0.259 0.0155 0.76 0.258 0.0125 0.64 0.9955 0.9964 1971381 ChemDiv1_002203 Cc1cc(C)c2nc3sc(=Cc4ccc(Br)c(c4)[N+](=O)[O-])c(=O)n3c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 E04 compound treatment 0.257 0.0135 0.66 0.26 0.0145 0.75 0.9986 0.9983 1432971 ChemDiv1_002204 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC=C)c4ccccc34)c(=O)n2C1c5cccs5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 E05 compound treatment 0.263 0.0195 0.96 0.266 0.0205 1.06 1.426 0.9989 1971382 ChemDiv1_002205 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3cc(C)cc(C)c3)c(cc1OC)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 E06 compound treatment 0.26 0.0165 0.81 0.26 0.0145 0.75 1.1031 0.9991 1325087 ChemDiv1_002206 COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)cc3OC(=O)C)c(=O)n2C1c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 E07 compound treatment 0.303 0.0595 2.93 0.345 0.0995 5.12 5.6949 0.9649 1971383 ChemDiv1_002207 CC1=NN(C(=O)C1/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Cl)cc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 E08 compound treatment 0.262 0.0185 0.91 0.269 0.0235 1.21 1.5004 0.9902 1445491 ChemDiv1_002208 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)c(OCC)c3)c(=O)n2C1c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 E09 compound treatment 0.255 0.0115 0.57 0.257 0.0115 0.59 0.8198 0.9997 1971384 ChemDiv1_002209 COc1cc(OC)c(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(C)cc3)cc1Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 E10 compound treatment 0.254 0.0105 0.52 0.257 0.0115 0.59 0.7849 0.9977 1321744 ChemDiv1_002210 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2C1c4ccc(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 E11 compound treatment 0.257 0.0135 0.66 0.255 0.00952 0.49 0.8166 0.9887 1971385 ChemDiv1_002211 Cc1cc(C)cc(/N=C\2/NC(=O)/C(=C/c3ccc([N+](=O)[O-])c(O)c3)/S2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 E12 compound treatment 0.262 0.0185 0.91 0.259 0.0135 0.7 1.1364 0.9911 1779959 ChemDiv1_002212 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(C(=O)C)c4ccccc34)c(=O)n2C1c5cccc(c5)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 E13 compound treatment 0.255 0.0115 0.57 0.267 0.0215 1.11 1.1838 0.9515 1971386 ChemDiv1_002213 Cc1cc(C)cc(/N=C\2/NC(=O)/C(=C\c3cc(cc([N+](=O)[O-])c3O)[N+](=O)[O-])/S2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 E14 compound treatment 0.257 0.0135 0.66 0.254 0.00852 0.44 0.7802 0.9796 1260324 ChemDiv1_002214 COC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC=C)c4ccccc34)c(=O)n2C1c5cccs5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 E15 compound treatment 0.259 0.0155 0.76 0.263 0.0175 0.9 1.1775 0.9966 1971387 ChemDiv1_002215 Cc1cc(/C=C\2/S/C(=N\c3ccccc3)/NC2=O)c(C)n1c4cccc(c4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 E16 compound treatment 0.264 0.0205 1.01 0.263 0.0175 0.9 1.3516 0.9984 1663602 ChemDiv1_002216 CCOc1cc(ccc1O)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)OCc4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 E17 compound treatment 0.267 0.0235 1.16 0.264 0.0185 0.95 1.4925 0.9954 1352920 ChemDiv1_002217 OC(=O)c1cc2C3C=CCC3CN4C(C5CC=CC5c(c1)c42)c6ccc(Cl)cc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 E18 compound treatment 0.261 0.0175 0.86 0.26 0.0145 0.75 1.1379 0.9975 1971388 ChemDiv1_002218 COCCOC(=O)C1=C(C)NC2=C(C1c3ccc(cc3)N(C)C)C(=O)CC(C2)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 E19 compound treatment 0.257 0.0135 0.66 0.255 0.00952 0.49 0.8166 0.9887 1712921 ChemDiv1_002219 COC(=O)c1ccc2NC(C3CC=CC3c2c1)c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 E20 compound treatment 0.256 0.0125 0.62 0.252 0.00652 0.34 0.6726 0.9593 1650038 ChemDiv1_002220 CCOc1cc(cc(Br)c1O)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)OCc4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 E21 compound treatment 0.266 0.0225 1.11 0.264 0.0185 0.95 1.4577 0.9972 1971389 ChemDiv1_002221 COc1cc(cc2C3C=CCC3C(Nc12)c4ccc(F)cc4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 E22 compound treatment 0.255 0.0115 0.57 0.256 0.0105 0.54 0.7834 0.9997 1938323 ChemDiv1_002222 CCOCCOC(=O)C1=C(C)NC(=O)NC1c2ccccc2OCc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 E23 mock treatment 0.253 0.0095 0.47 0.246 5.17E-4 0.03 0.3497 0.7461 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 E24 mock treatment 0.237 -0.0065 -0.32 0.246 5.17E-4 0.03 -0.2075 -0.6461 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 F01 compound treatment 0.252 0.0085 0.42 0.253 0.00752 0.39 0.5697 0.9992 1189330 ChemDiv1_002223 CCOc1cc(ccc1O)C2NC(=O)NC(=C2C(=O)OCc3ccc4OCOc4c3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 F02 compound treatment 0.254 0.0105 0.52 0.257 0.0115 0.59 0.7849 0.9977 1971390 ChemDiv1_002224 COC(=O)C1=C(C)OC(=C(C#N)C1c2ccc(C#N)cc2)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 F03 compound treatment 0.282 0.0385 1.9 0.284 0.0385 1.98 2.743 0.9998 1971391 ChemDiv1_002225 CC1=C(C(C2=C(CC(CC2=O)c3ccccc3)N1)c4ccc(O)cc4)C(=O)OCCOc5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 F04 compound treatment 0.311 0.0675 3.32 0.311 0.0655 3.37 4.7358 1.0 1971392 ChemDiv1_002226 Cc1cc(c2c(N)c(sc2n1)C(=O)Nc3ccc(F)cc3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 F05 compound treatment 0.294 0.0505 2.49 0.303 0.0575 2.96 3.8525 0.9962 1435515 ChemDiv1_002227 Cc1ccc(cc1)C(=O)N2N=C(CC2c3ccc4OCOc4c3)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 F06 compound treatment 0.26 0.0165 0.81 0.261 0.0155 0.8 1.1395 1.0 1267683 ChemDiv1_002228 NC1=C(C(=O)OCc2ccccc2)C3(C(=O)Nc4ccccc43)C5=C(CCCC5=O)O1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 F07 compound treatment 0.302 0.0585 2.88 0.303 0.0575 2.96 4.1311 0.9999 1943751 ChemDiv1_002229 COc1ccc(cc1)C2=NN(C(C2)c3cccc(c3)[N+](=O)[O-])C(=O)c4cccc(c4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 F08 compound treatment 0.26 0.0165 0.81 0.266 0.0205 1.06 1.3215 0.9916 1615234 ChemDiv1_002230 CCCC1=C(C(=O)OCC)C2(C(=O)Nc3ccccc32)C(=C(N)O1)C(=O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 F09 compound treatment 0.258 0.0145 0.71 0.254 0.00852 0.44 0.815 0.9726 1971393 ChemDiv1_002231 CCCCCOC(=O)C1=C(C)NC(=O)NC1c2cc3OCOc3cc2Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 F10 compound treatment 0.257 0.0135 0.66 0.26 0.0145 0.75 0.9986 0.9983 1971394 ChemDiv1_002232 COCC1=C(C(=O)OC)C2(C(=O)Nc3ccccc32)C(=C(N)O1)C(=O)OCc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 F11 compound treatment 0.268 0.0245 1.21 0.264 0.0185 0.95 1.5273 0.9932 1971395 ChemDiv1_002233 Cc1ccc(cc1)c2csc(n2)N3N=C(CC3=O)c4ccc(cc4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 F12 compound treatment 0.254 0.0105 0.52 0.252 0.00652 0.34 0.6029 0.9781 1484169 ChemDiv1_002234 CCOC(=O)C1=C(OC(=C(C#N)C21C(=O)Nc3ccc(Br)cc32)N)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 F13 compound treatment 0.323 0.0795 3.92 0.323 0.0775 3.99 5.5906 1.0 1971396 ChemDiv1_002235 CCOc1cc(ccc1O)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccccc4)C(=O)OCCSCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 F14 compound treatment 0.259 0.0155 0.76 0.257 0.0115 0.59 0.9591 0.9922 1971397 ChemDiv1_002236 COC(=O)C1=C(N)OC(=C(C(=O)C)C21C(=O)Nc3ccc(Br)cc32)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 F15 compound treatment 0.262 0.0185 0.91 0.262 0.0165 0.85 1.2456 0.9994 1971398 ChemDiv1_002237 CC(=O)NC(=O)c1cc2cc(ccc2oc1=Nc3ccc(Cl)cc3Cl)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 F16 compound treatment 0.262 0.0185 0.91 0.261 0.0155 0.8 1.2092 0.9978 1441340 ChemDiv1_002238 COC(=O)C1=C(C)OC(=C(C(=O)OC(C)C)C21C(=O)Nc3ccccc32)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 F17 compound treatment 0.268 0.0245 1.21 0.268 0.0225 1.16 1.6729 0.9998 1141289 ChemDiv1_002239 CCN(CC)c1ccc2cc(C(=O)NC(=O)C)c(=Nc3ccc(OC)cc3)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 F18 compound treatment 0.284 0.0405 1.99 0.285 0.0395 2.03 2.849 1.0 1971399 ChemDiv1_002240 Cc1cc(ccc1Br)N2C(SCC2=O)c3ccc(cc3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 F19 compound treatment 0.264 0.0205 1.01 0.266 0.0205 1.06 1.4608 0.9997 1971400 ChemDiv1_002241 CC1=C(C(C(=C(N)O1)C#N)c2c(C)nn(c2Cl)c3ccccc3)C(=O)OCC=C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 F20 compound treatment 0.256 0.0125 0.62 0.258 0.0125 0.64 0.891 0.9997 1611243 ChemDiv1_002242 Cc1cc(C)c2C3C=CCC3C(Nc2c1)c4ccc(Cl)cc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 F21 compound treatment 0.265 0.0215 1.06 0.265 0.0195 1.0 1.4593 0.9997 1971401 ChemDiv1_002243 COCC1=C(C(C(=C(N)O1)C#N)c2cccnc2)C(=O)OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 F22 compound treatment 0.261 0.0175 0.86 0.259 0.0135 0.7 1.1015 0.9944 1971402 ChemDiv1_002244 CC(=O)/N=C/1\NC(=O)\C(=C\c2cc3OCOc3cc2Br)\S1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 F23 mock treatment 0.254 0.0105 0.52 0.253 0.00752 0.39 0.6393 0.9898 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 F24 mock treatment 0.252 0.0085 0.42 0.247 0.00152 0.08 0.3513 0.8248 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 G01 compound treatment 0.241 -0.0025 -0.12 0.249 0.00352 0.18 0.041 0.1871 1971403 ChemDiv1_002245 Cc1cc(C)c2nc3sc(=Cc4ccc(o4)c5ccccc5[N+](=O)[O-])c(=O)n3c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 G02 compound treatment 0.293 0.0495 2.44 0.284 0.0385 1.98 3.1261 0.9947 1971404 ChemDiv1_002246 Cc1cccc(CC2S/C(=N\c3ccccn3)/NC2=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 G03 compound treatment 0.256 0.0125 0.62 0.253 0.00752 0.39 0.709 0.975 1524433 ChemDiv1_002247 COc1cc(C=c2sc3nc4ccccc4n3c2=O)ccc1OCc5ccc(C)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 G04 compound treatment 0.275 0.0315 1.55 0.28 0.0345 1.78 2.3536 0.9977 1640243 ChemDiv1_002248 CCOc1cc(C=c2sc3=NC(=C(C(c4ccc(OC)cc4)n3c2=O)C(=O)OC)C)ccc1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 G05 compound treatment 0.323 0.0795 3.92 0.323 0.0775 3.99 5.5906 1.0 1924412 ChemDiv1_002249 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3cc(C)cc(C)c3)cc([N+](=O)[O-])c1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 G06 compound treatment 0.261 0.0175 0.86 0.257 0.0115 0.59 1.0287 0.9833 1305259 ChemDiv1_002250 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC)c4ccccc34)c(=O)n2C1c5ccc(OC)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 G07 compound treatment 0.258 0.0145 0.71 0.26 0.0145 0.75 1.0335 0.9997 1971405 ChemDiv1_002251 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Cl)cc3)cc(Cl)c1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 G08 compound treatment 0.276 0.0325 1.6 0.284 0.0385 1.98 2.534 0.9944 1374674 ChemDiv1_002252 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(=O)C)c(=O)n2C1c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 G09 compound treatment 0.264 0.0205 1.01 0.261 0.0155 0.8 1.2788 0.9933 1971406 ChemDiv1_002253 COc1cc(Br)cc(/C=C\2/C(=O)NC(=O)N(C2=O)c3ccc(C)cc3)c1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 G10 compound treatment 0.259 0.0155 0.76 0.257 0.0115 0.59 0.9591 0.9922 1222774 ChemDiv1_002254 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)c(OC)c3)c(=O)n2C1c4ccc(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 G11 compound treatment 0.252 0.0085 0.42 0.255 0.00952 0.49 0.6425 0.9969 1971407 ChemDiv1_002255 COc1cc(/C=C/2\S\C(=N/c3cc(C)cc(C)c3)\NC2=O)c(cc1OC)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 G12 compound treatment 0.266 0.0225 1.11 0.255 0.00952 0.49 1.1301 0.9326 1780904 ChemDiv1_002256 CCCN1C(=O)C(=c2sc3=NC(=C(C(c4cccc(c4)[N+](=O)[O-])n3c2=O)C(=O)OCC)C)c5ccccc15 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 G13 compound treatment 0.273 0.0295 1.45 0.281 0.0355 1.83 2.3203 0.9935 1971408 ChemDiv1_002257 CN1C(=O)N(C)C(=O)C(=Cc2cc(C)n(c2C)c3ccc(OC(=O)C)cc3)C1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 G14 compound treatment 0.255 0.0115 0.57 0.255 0.00952 0.49 0.747 0.9974 1538143 ChemDiv1_002258 CCN1C(=O)C(=c2sc3=NC(=C(C(c4cccs4)n3c2=O)C(=O)OC)C)c5ccccc15 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 G15 compound treatment 0.253 0.0095 0.47 0.252 0.00652 0.34 0.5681 0.9867 1971409 ChemDiv1_002259 CCOC(=O)c1ccc(cc1)n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 G16 compound treatment 0.29 0.0465 2.29 0.284 0.0385 1.98 3.0216 0.9974 1971410 ChemDiv1_002260 CCCOc1ccc(cc1OC)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccccc4)C(=O)OCCOC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 G17 compound treatment 0.272 0.0285 1.4 0.276 0.0305 1.57 2.1035 0.9984 1971411 ChemDiv1_002261 CC(=O)c1ccc2NC(C3CC=CC3c2c1)c4ccc(Cl)cc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 G18 compound treatment 0.258 0.0145 0.71 0.259 0.0135 0.7 0.9971 0.9999 1971412 ChemDiv1_002262 COCCOC(=O)C1=C(C)NC2=C(C1c3ccc(Br)cc3)C(=O)CC(C2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 G19 compound treatment 0.257 0.0135 0.66 0.266 0.0205 1.06 1.217 0.9751 1390334 ChemDiv1_002263 COC(=O)c1ccc2NC(C3CC=CC3c2c1)c4cccc5ccccc45 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 G20 compound treatment 0.246 0.0025 0.12 0.242 -0.00348 -0.18 -0.0397 -0.1826 1971413 ChemDiv1_002264 COc1cc(ccc1OCc2ccccc2)C3NC(=O)NC(=C3C(=O)OCC(F)(F)F)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 G21 compound treatment 0.249 0.0055 0.27 0.249 0.00352 0.18 0.3196 0.9808 1476764 ChemDiv1_002265 Clc1ccc(cc1)C2C3CC=CC3c4cc(Br)cc5C6C=CCC6CN2c54 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 G22 compound treatment 0.255 0.0115 0.57 0.252 0.00652 0.34 0.6378 0.9688 1646074 ChemDiv1_002266 CC1=C(C(NC(=O)N1)c2cc3OCOc3cc2Br)C(=O)OCC4CCCO4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 G23 mock treatment 0.254 0.0105 0.52 0.252 0.00652 0.34 0.6029 0.9781 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 G24 mock treatment 0.243 -5.0E-4 -0.02 0.245 -4.83E-4 -0.02 -0.035 -1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 H01 compound treatment 0.301 0.0575 2.83 0.323 0.0775 3.99 4.8244 0.9859 1189243 ChemDiv1_002267 COc1cc(ccc1OCc2ccccc2)C3NC(=O)NC(=C3C(=O)OCc4ccc5OCOc5c4)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 H02 compound treatment 0.25 0.0065 0.32 0.247 0.00152 0.08 0.2816 0.8546 1320360 ChemDiv1_002268 COC(=O)C1=C(C)OC(=C(C#N)C1c2ccc(cc2)C(C)C)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 H03 compound treatment 0.275 0.0315 1.55 0.277 0.0315 1.62 2.2444 0.9997 1216330 ChemDiv1_002269 CCOc1cc(ccc1O)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(OC)cc4)C(=O)OC(C)CC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 H04 compound treatment 0.255 0.0115 0.57 0.256 0.0105 0.54 0.7834 0.9997 1497694 ChemDiv1_002270 NC1=C(C#N)C2(C(=O)Nc3ccccc32)C4=C(CCCC4=O)O1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 H05 compound treatment 0.29 0.0465 2.29 0.301 0.0555 2.86 3.6404 0.994 1971414 ChemDiv1_002271 COc1ccc(cc1)C2CC(=NN2C(=O)c3ccc(C)cc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 H06 compound treatment 0.256 0.0125 0.62 0.256 0.0105 0.54 0.8182 0.9979 1971415 ChemDiv1_002272 NC1=C(C#N)C2(C(=O)Nc3ccc(cc32)[N+](=O)[O-])C4=C(CCCC4=O)O1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 H07 compound treatment 0.269 0.0255 1.26 0.266 0.0205 1.06 1.635 0.9963 1622742 ChemDiv1_002273 COc1ccc(cc1)C2CC(=NN2S(=O)(=O)c3ccc(C)cc3)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 H08 compound treatment 0.277 0.0335 1.65 0.281 0.0355 1.83 2.4596 0.9987 1448234 ChemDiv1_002274 CCCC1=C(C(=O)OCC)C2(C(=O)Nc3ccccc32)C(=C(N)O1)C(=O)OC(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 H09 compound treatment 0.256 0.0125 0.62 0.258 0.0125 0.64 0.891 0.9997 1971416 ChemDiv1_002275 CCN1C(=O)/C(=C/C=C\2/N(CC)c3ccc(cc3N2CC)S(=O)(=O)N(C)C)/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 H10 compound treatment 0.257 0.0135 0.66 0.254 0.00852 0.44 0.7802 0.9796 1644137 ChemDiv1_002276 CC1=C(C(=O)OCc2ccccc2)C3(C(=O)Nc4ccccc43)C(=C(N)O1)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 H11 compound treatment 0.257 0.0135 0.66 0.258 0.0125 0.64 0.9258 0.9999 1971417 ChemDiv1_002277 CCN(CC)c1ccc(/C=C\2/C(=NN(C2=O)c3nc(cs3)c4ccccc4O)C)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 H12 compound treatment 0.253 0.0095 0.47 0.248 0.00252 0.13 0.4225 0.8702 1971418 ChemDiv1_002278 CCOC(=O)C1=C(OC(=C(C(=O)OCCOC)C21C(=O)Nc3ccc(Br)cc32)N)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 H13 compound treatment 0.253 0.0095 0.47 0.258 0.0125 0.64 0.7865 0.9876 1383058 ChemDiv1_002279 CCN(CC)c1ccc(cc1)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(OC)cc4)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 H14 compound treatment 0.255 0.0115 0.57 0.253 0.00752 0.39 0.6742 0.9828 1416895 ChemDiv1_002280 CC(C)(C)OC(=O)C1=C(N)OC2=C(C(=O)CCC2)C31C(=O)Nc4ccc(Br)cc43 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 H15 compound treatment 0.256 0.0125 0.62 0.256 0.0105 0.54 0.8182 0.9979 1450078 ChemDiv1_002281 CC(=O)NC(=O)c1cc2cc(Br)ccc2oc1=Nc3cccc4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 H16 compound treatment 0.258 0.0145 0.71 0.254 0.00852 0.44 0.815 0.9726 1421706 ChemDiv1_002282 CC(C)OC(=O)C1=C(N)OC(=C(C(=O)OC(C)(C)C)C21C(=O)Nc3ccccc32)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 H17 compound treatment 0.264 0.0205 1.01 0.265 0.0195 1.0 1.4244 1.0 1185417 ChemDiv1_002283 COc1ccc(N=c2oc3cc(OC(=O)C)ccc3cc2C(=O)NC(=O)C)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 H18 compound treatment 0.256 0.0125 0.62 0.252 0.00652 0.34 0.6726 0.9593 1971419 ChemDiv1_002284 [O-][N+](=O)c1ccc(cc1)C2SCC(=O)N2c3ccc(Oc4ccccc4)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 H19 compound treatment 0.262 0.0185 0.91 0.261 0.0155 0.8 1.2092 0.9978 1971420 ChemDiv1_002285 CCOC(=O)C1=C(C)OC(=C(C#N)C1c2c(C)nn(c2Cl)c3ccccc3)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 H20 compound treatment 0.266 0.0225 1.11 0.259 0.0135 0.7 1.2757 0.9749 1782544 ChemDiv1_002286 OC(=O)c1ccc([N+](=O)[O-])c2C3C=CCC3C(Nc12)c4ccc(cc4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 H21 compound treatment 0.255 0.0115 0.57 0.252 0.00652 0.34 0.6378 0.9688 1971421 ChemDiv1_002287 Cc1cc(C)c(C#N)c(SCC(=O)c2ccc(Br)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 H22 compound treatment 0.253 0.0095 0.47 0.252 0.00652 0.34 0.5681 0.9867 1971422 ChemDiv1_002288 O=C1C2C3CC(C=C3)C2C(=O)N1c4ccc(cc4)c5nc(c6ccccc6)c7ccccc7n5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 H23 mock treatment 0.251 0.0075 0.37 0.25 0.00452 0.23 0.4256 0.9751 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 H24 mock treatment 0.243 -5.0E-4 -0.02 0.255 0.00952 0.49 0.329 0.6707 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 I01 compound treatment 0.266 0.0225 1.11 0.282 0.0365 1.88 2.1129 0.9682 1274747 ChemDiv1_002289 Cc1cc(C)c2nc3sc(=Cc4ccc(o4)c5ccccc5C(=O)O)c(=O)n3c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 I02 compound treatment 0.283 0.0395 1.95 0.285 0.0395 2.03 2.8142 0.9998 1971423 ChemDiv1_002290 [O-][N+](=O)c1ccccc1CC2S/C(=N\c3ccc(Cl)cc3)/NC2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 I03 compound treatment 0.288 0.0445 2.19 0.291 0.0455 2.34 3.2067 0.9994 1935572 ChemDiv1_002291 [O-][N+](=O)c1ccc(Cl)c(c1)c2ccc(/C=C/3\SC(=N)NC3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 I04 compound treatment 0.255 0.0115 0.57 0.258 0.0125 0.64 0.8562 0.9979 1672023 ChemDiv1_002292 COC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(=O)C)c(=O)n2C1c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 I05 compound treatment 0.4 0.157 7.71 0.386 0.141 7.23 10.5656 0.9995 1971424 ChemDiv1_002293 CC1=NN(C(=O)C1/C=C/2\C(=O)NC(=O)N(C2=O)c3cc(C)cc(C)c3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 I06 compound treatment 0.276 0.0325 1.6 0.279 0.0335 1.73 2.352 0.9993 1252672 ChemDiv1_002294 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)cc3OC(=O)C)c(=O)n2C1c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 I07 compound treatment 0.263 0.0195 0.96 0.26 0.0145 0.75 1.2076 0.9923 1971425 ChemDiv1_002295 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(C)cc3)cc(Br)c1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 I08 compound treatment 0.261 0.0175 0.86 0.264 0.0185 0.95 1.2835 0.9987 1687864 ChemDiv1_002296 CCN1C(=O)C(=c2sc3=NC(=C(C(c4ccccc4)n3c2=O)C(=O)OC)C)c5ccccc15 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 I09 compound treatment 0.257 0.0135 0.66 0.26 0.0145 0.75 0.9986 0.9983 1971426 ChemDiv1_002297 COc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c3ccc(C)cc3)cc(Br)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 I10 compound treatment 0.259 0.0155 0.76 0.258 0.0125 0.64 0.9955 0.9964 1655329 ChemDiv1_002298 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)c(OCC)c3)c(=O)n2C1c4ccc(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 I11 compound treatment 0.29 0.0465 2.29 0.295 0.0495 2.55 3.422 0.9986 1971427 ChemDiv1_002299 Cc1cc(C)cc(/N=C\2/NC(=O)/C(=C/c3ccccc3[N+](=O)[O-])/S2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 I12 compound treatment 0.267 0.0235 1.16 0.259 0.0135 0.7 1.3105 0.9704 1330410 ChemDiv1_002300 CCCN1C(=O)C(=c2sc3=NC(=C(C(c4ccc(OC)cc4)n3c2=O)C(=O)OC)C)c5ccccc15 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 I13 compound treatment 0.292 0.0485 2.39 0.291 0.0455 2.34 3.346 1.0 1971428 ChemDiv1_002301 CC(=O)Oc1ccc(cc1)n2c(C)cc(/C=C/3\C(=O)NC(=S)N(C3=O)c4ccccc4)c2C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 I14 compound treatment 0.258 0.0145 0.71 0.26 0.0145 0.75 1.0335 0.9997 1679704 ChemDiv1_002302 CCN1C(=O)C(=c2sc3=NC(=C(C(c4ccc(OC)cc4)n3c2=O)C(=O)OC)C)c5ccccc15 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 I15 compound treatment 0.254 0.0105 0.52 0.25 0.00452 0.23 0.5301 0.9349 1971429 ChemDiv1_002303 CCOC(=O)c1ccc(cc1)n2c(C)cc(/C=C\3/C(=NN(C3=O)c4ccccc4)C)c2C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 I16 compound treatment 0.291 0.0475 2.34 0.29 0.0445 2.29 3.2748 0.9999 1971430 ChemDiv1_002304 COCCOC(=O)C1=C(C)NC2=C(C1c3ccc(cc3)[N+](=O)[O-])C(=O)CC(C2)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 I17 compound treatment 0.261 0.0175 0.86 0.268 0.0225 1.16 1.4292 0.9894 1782374 ChemDiv1_002305 Cc1ccc([N+](=O)[O-])c2C3C=CCC3C(Nc12)c4ccc(Cl)cc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 I18 compound treatment 0.291 0.0475 2.34 0.297 0.0515 2.65 3.5296 0.998 1782453 ChemDiv1_002306 CC(C)COC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3[N+](=O)[O-])C(=O)CC(C2)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 I19 compound treatment 0.253 0.0095 0.47 0.251 0.00552 0.28 0.5317 0.9714 1781978 ChemDiv1_002307 Cc1ccc([N+](=O)[O-])c2C3C=CCC3C(Nc12)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 I20 compound treatment 0.253 0.0095 0.47 0.256 0.0105 0.54 0.7137 0.9974 1429302 ChemDiv1_002308 COc1cc(Br)c(cc1OC)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(Cl)cc4)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 I21 compound treatment 0.254 0.0105 0.52 0.256 0.0105 0.54 0.7485 0.9997 1971431 ChemDiv1_002309 CCOc1cc([N+](=O)[O-])c2NC(C3CC=CC3c2c1)c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 I22 compound treatment 0.254 0.0105 0.52 0.254 0.00852 0.44 0.6757 0.9966 1731338 ChemDiv1_002310 CCOc1ccc(cc1OC)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(OC)cc4)C(=O)OC(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 I23 mock treatment 0.255 0.0115 0.57 0.255 0.00952 0.49 0.747 0.9974 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 I24 mock treatment 0.238 -0.0055 -0.27 0.258 0.0125 0.64 0.2641 0.3778 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 J01 compound treatment 0.279 0.0355 1.75 0.287 0.0415 2.14 2.7477 0.995 1326502 ChemDiv1_002311 COC(=O)C1=C(C)NC2=C(C1c3cc(Br)c(O)c(OC)c3)C(=O)CC(C2)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 J02 compound treatment 0.27 0.0265 1.31 0.274 0.0285 1.47 1.961 0.9983 1971432 ChemDiv1_002312 NC1=C(C#N)C(c2cc(ccc2Cl)[N+](=O)[O-])c3c(O1)c4ccccc4oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 J03 compound treatment 0.262 0.0185 0.91 0.262 0.0165 0.85 1.2456 0.9994 1971433 ChemDiv1_002313 CCSCCOC(=O)C1=C(C)NC2=C(C1c3cc(Br)c(O)c(OC)c3)C(=O)CCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 J04 compound treatment 0.254 0.0105 0.52 0.255 0.00952 0.49 0.7121 0.9996 1783628 ChemDiv1_002314 CCOC(=O)C1=C(C)OC(=C(C#N)C21C(=O)Nc3ccccc32)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 J05 compound treatment 0.287 0.0435 2.14 0.29 0.0445 2.29 3.1355 0.9994 1295423 ChemDiv1_002315 COc1ccc(cc1)C2CC(=NN2C(=O)c3cc(OC)c(OC)c(OC)c3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 J06 compound treatment 0.26 0.0165 0.81 0.253 0.00752 0.39 0.8483 0.9424 1971434 ChemDiv1_002316 COC(=O)C1=C(C)OC(=C(C#N)C21C(=O)Nc3ccc(cc32)[N+](=O)[O-])N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 J07 compound treatment 0.254 0.0105 0.52 0.256 0.0105 0.54 0.7485 0.9997 1587975 ChemDiv1_002317 CC(=O)N1CCN(CC1)c2nc(c3ccccc3)c4cc(Cl)ccc4n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 J08 compound treatment 0.26 0.0165 0.81 0.258 0.0125 0.64 1.0303 0.9934 1262197 ChemDiv1_002318 CC(C)OC(=O)C1=C(C)OC(=C(C#N)C21C(=O)Nc3ccccc32)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 J09 compound treatment 0.279 0.0355 1.75 0.278 0.0325 1.67 2.4201 0.9998 1971435 ChemDiv1_002319 CN1CCc2c([nH]c3ccc(C)cc23)C1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 J10 compound treatment 0.262 0.0185 0.91 0.256 0.0105 0.54 1.0272 0.9691 1298599 ChemDiv1_002320 COC(=O)C1=C(N)OC(=C(C(=O)OCc2ccccc2)C31C(=O)Nc4ccccc43)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 J11 compound treatment 0.257 0.0135 0.66 0.254 0.00852 0.44 0.7802 0.9796 1596154 ChemDiv1_002321 Cc1cc(C)nc(NS(=O)(=O)c2ccc(cc2)N3C(=O)c4ccccc4C3=O)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 J12 compound treatment 0.26 0.0165 0.81 0.256 0.0105 0.54 0.9575 0.9805 1135833 ChemDiv1_002322 NC1=C(C(=O)OCc2ccccc2)C3(C(=O)Nc4ccc(Br)cc43)C5=C(CCCC5=O)O1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 J13 compound treatment 0.257 0.0135 0.66 0.254 0.00852 0.44 0.7802 0.9796 1732913 ChemDiv1_002323 Brc1ccc2oc(=O)c(cc2c1)c3nnc(Nc4cccc5ccccc45)s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 J14 compound treatment 0.245 0.0015 0.07 0.242 -0.00348 -0.18 -0.0745 -0.3844 1551958 ChemDiv1_002324 CC1=C(C(=O)OC(C)(C)C)C2(C(=O)Nc3ccc(Br)cc32)C(=C(N)O1)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 J15 compound treatment 0.254 0.0105 0.52 0.255 0.00952 0.49 0.7121 0.9996 1971436 ChemDiv1_002325 CC(=O)NC(=O)c1cc2cc(ccc2oc1=Nc3cccc4ccccc34)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 J16 compound treatment 0.255 0.0115 0.57 0.251 0.00552 0.28 0.6014 0.9491 1662244 ChemDiv1_002326 CC(C)OC(=O)C1=C(C)OC(=C(C(=O)OC(C)C)C21C(=O)Nc3ccccc32)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 J17 compound treatment 0.26 0.0165 0.81 0.262 0.0165 0.85 1.1759 0.9997 1971437 ChemDiv1_002327 NC(=O)c1cc2cc(Cl)ccc2oc1=Nc3cc(ccc3Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 J18 compound treatment 0.251 0.0075 0.37 0.252 0.00652 0.34 0.4984 0.9988 1971438 ChemDiv1_002328 Cc1cc(ccc1Br)N2C(SCC2=O)c3cccc(c3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 J19 compound treatment 0.254 0.0105 0.52 0.256 0.0105 0.54 0.7485 0.9997 1699225 ChemDiv1_002329 CCOC(=O)CC1=C(C(C(=C(N)O1)C#N)c2ccc(OC)cc2)C(=O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 J20 compound treatment 0.255 0.0115 0.57 0.256 0.0105 0.54 0.7834 0.9997 1782545 ChemDiv1_002330 OC(=O)c1ccc([N+](=O)[O-])c2C3C=CCC3C(Nc12)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 J21 compound treatment 0.253 0.0095 0.47 0.25 0.00452 0.23 0.4953 0.9479 1971439 ChemDiv1_002331 CCc1nc(SCC(=O)Nc2cccc(c2)C(F)(F)F)c(C#N)cc1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 J22 compound treatment 0.248 0.0045 0.22 0.25 0.00452 0.23 0.3212 0.9997 1971440 ChemDiv1_002332 OC(=O)c1ccc(/N=C\2/SC(Cc3ccc(SC(F)F)cc3)C(=O)N2CC=C)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 J23 mock treatment 0.25 0.0065 0.32 0.251 0.00552 0.28 0.4272 0.9982 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 J24 mock treatment 0.24 -0.0035 -0.17 0.254 0.00852 0.44 0.1882 0.3994 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 K01 compound treatment 0.242 -0.0015 -0.07 0.249 0.00352 0.18 0.0758 0.3876 1971441 ChemDiv1_002333 Cc1cc2nc3sc(=Cc4ccc(o4)c5ccccc5[N+](=O)[O-])c(=O)n3c2cc1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 K02 compound treatment 0.748 0.504 24.85 0.65 0.405 20.82 32.2956 0.9961 1971442 ChemDiv1_002334 COc1ccc(/C=C\2/SC(=S)N(C2=O)c3c(C)n(C)n(c4ccccc4)c3=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 K03 compound treatment 0.258 0.0145 0.71 0.26 0.0145 0.75 1.0335 0.9997 1780852 ChemDiv1_002335 Cc1cc2nc3sc(=Cc4cccn4c5ccc(cc5)[N+](=O)[O-])c(=O)n3c2cc1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 K04 compound treatment 0.307 0.0635 3.13 0.302 0.0565 2.91 4.2689 0.9993 1225965 ChemDiv1_002336 COC(=O)C1=C(C)N=c2sc(=Cc3cccc(Br)c3)c(=O)n2C1c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 K05 compound treatment 0.265 0.0215 1.06 0.26 0.0145 0.75 1.2772 0.9854 1971443 ChemDiv1_002337 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Cl)cc3)cc(Br)c1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 K06 compound treatment 0.263 0.0195 0.96 0.261 0.0155 0.8 1.244 0.9958 1515245 ChemDiv1_002338 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC=C)c4ccccc34)c(=O)n2C1c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 K07 compound treatment 0.269 0.0255 1.26 0.263 0.0175 0.9 1.5258 0.9868 1971444 ChemDiv1_002339 Cc1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3cc(Br)c(O)cc3O)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 K08 compound treatment 0.313 0.0695 3.42 0.298 0.0525 2.7 4.3322 0.9932 1594106 ChemDiv1_002340 COC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(=O)C)c(=O)n2C1c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 K09 compound treatment 0.269 0.0255 1.26 0.267 0.0215 1.11 1.6714 0.998 1971445 ChemDiv1_002341 Cc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(o3)c4ccccc4C(=O)O)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 K10 compound treatment 0.286 0.0425 2.09 0.284 0.0385 1.98 2.8823 0.9996 1780900 ChemDiv1_002342 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)c(OC)c3)c(=O)n2C1c4cccc(c4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 K11 compound treatment 0.276 0.0325 1.6 0.283 0.0375 1.93 2.4976 0.9956 1971446 ChemDiv1_002343 COc1cc(/C=C/2\S\C(=N/c3cc(C)cc(C)c3)\NC2=O)cc([N+](=O)[O-])c1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 K12 compound treatment 0.264 0.0205 1.01 0.26 0.0145 0.75 1.2424 0.989 1724500 ChemDiv1_002344 COC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC=C)c4ccccc34)c(=O)n2C1c5ccc(OC)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 K13 compound treatment 0.285 0.0415 2.04 0.271 0.0255 1.31 2.3742 0.9772 1971447 ChemDiv1_002345 CC(=O)Oc1ccc(cc1)n2c(C)cc(/C=C/3\C(=O)NC(=S)N(C3=O)c4ccc(C)cc4)c2C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 K14 compound treatment 0.254 0.0105 0.52 0.255 0.00952 0.49 0.7121 0.9996 1971448 ChemDiv1_002346 Cc1cc(ccc1NC(=O)CC2S/C(=N/c3ccccc3)/N(C2=O)c4ccccc4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 K15 compound treatment 0.257 0.0135 0.66 0.259 0.0135 0.7 0.9622 0.9997 1971449 ChemDiv1_002347 CCOC(=O)c1ccc(cc1)n2c(C)cc(/C=C/3\C(=O)NC(=S)N(C3=O)c4ccccc4)c2C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 K16 compound treatment 0.257 0.0135 0.66 0.254 0.00852 0.44 0.7802 0.9796 1971450 ChemDiv1_002348 COCCOC(=O)C1=C(C)NC2=C(C1c3ccc(OC(=O)C)cc3)C(=O)CC(C2)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 K17 compound treatment 0.274 0.0305 1.5 0.273 0.0275 1.42 2.0639 0.9996 1257065 ChemDiv1_002349 Brc1ccc(cc1)C2Nc3c(cccc3C4C=CCC42)C(=O)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 K18 compound treatment 0.258 0.0145 0.71 0.257 0.0115 0.59 0.9242 0.9957 1971451 ChemDiv1_002350 CCOc1ccccc1C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(Cl)cc4)C(=O)OCCOC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 K19 compound treatment 0.276 0.0325 1.6 0.277 0.0315 1.62 2.2792 1.0 1781758 ChemDiv1_002351 NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c4cccc(c4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 K20 compound treatment 0.27 0.0265 1.31 0.254 0.00852 0.44 1.233 0.8955 1971452 ChemDiv1_002352 COc1ccc(COC(=O)C2=C(C)NC3=C(C2c4cc5OCOc5cc4[N+](=O)[O-])C(=O)CC(C)(C)C3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 K21 compound treatment 0.254 0.0105 0.52 0.256 0.0105 0.54 0.7485 0.9997 1971453 ChemDiv1_002353 CCOc1cc([N+](=O)[O-])c2NC(C3CC=CC3c2c1)c4cccc5ccccc45 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 K22 compound treatment 0.254 0.0105 0.52 0.255 0.00952 0.49 0.7121 0.9996 1469160 ChemDiv1_002354 CCC(C)OC(=O)C1=C(C)NC2=C(C1c3ccc(OC)cc3OC)C(=O)CC(C2)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 K23 mock treatment 0.253 0.0095 0.47 0.253 0.00752 0.39 0.6045 0.9956 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 K24 mock treatment 0.251 0.0075 0.37 0.248 0.00252 0.13 0.3528 0.9013 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 L01 compound treatment 0.286 0.0425 2.09 0.283 0.0375 1.93 2.8459 0.9992 1689353 ChemDiv1_002355 CC1=C(C(NC(=O)N1)c2cccc(OCc3ccccc3)c2)C(=O)OCC4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 L02 compound treatment 0.258 0.0145 0.71 0.257 0.0115 0.59 0.9242 0.9957 1971454 ChemDiv1_002356 CC(=O)C1=C(C)OC(=C(C#N)C1c2cc(ccc2Cl)[N+](=O)[O-])N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 L03 compound treatment 0.28 0.0365 1.8 0.286 0.0405 2.09 2.7461 0.9973 1782454 ChemDiv1_002357 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4ccc5OCOc5c4)C(=O)OCc6ccccc6)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 L04 compound treatment 0.256 0.0125 0.62 0.257 0.0115 0.59 0.8546 0.9998 1573226 ChemDiv1_002358 CCOC(=O)C1=C(OC(=C(C#N)C21C(=O)Nc3ccccc32)N)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 L05 compound treatment 0.32 0.0765 3.77 0.307 0.0615 3.17 4.9036 0.9963 1355723 ChemDiv1_002359 COc1ccc(cc1)C2CC(=NN2C(=O)c3cccs3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 L06 compound treatment 0.256 0.0125 0.62 0.258 0.0125 0.64 0.891 0.9997 1782693 ChemDiv1_002360 CC1=C(C(=O)OCC=C)C2(C(=O)Nc3ccccc32)C(=C(N)O1)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 L07 compound treatment 0.259 0.0155 0.76 0.256 0.0105 0.54 0.9227 0.9858 1622777 ChemDiv1_002361 CC(=O)N1CCN(CC1)c2nc(c3ccccc3)c4cc(Br)ccc4n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 L08 compound treatment 0.257 0.0135 0.66 0.258 0.0125 0.64 0.9258 0.9999 1654079 ChemDiv1_002362 CCOC(=O)C1=C(N)OC(=C(C(=O)OC(C)C)C21C(=O)Nc3ccccc32)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 L09 compound treatment 0.308 0.0645 3.18 0.306 0.0605 3.12 4.4493 1.0 1208054 ChemDiv1_002363 O=C1N(CCc2c1n(Cc3ccccc3)c4ccccc24)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 L10 compound treatment 0.253 0.0095 0.47 0.25 0.00452 0.23 0.4953 0.9479 1971455 ChemDiv1_002364 COCCOC(=O)C1=C(N)OC(=C(C(=O)OCc2ccccc2)C31C(=O)Nc4ccccc43)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 L11 compound treatment 0.258 0.0145 0.71 0.257 0.0115 0.59 0.9242 0.9957 1781307 ChemDiv1_002365 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 L12 compound treatment 0.258 0.0145 0.71 0.256 0.0105 0.54 0.8878 0.9907 1971456 ChemDiv1_002366 COCCOC(=O)C1=C(N)OC(=C(C(=O)OC)C21C(=O)Nc3ccc(Br)cc32)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 L13 compound treatment 0.268 0.0245 1.21 0.266 0.0205 1.06 1.6001 0.9978 1529582 ChemDiv1_002367 CCN(CC)c1ccc2cc(c3nnc(Nc4ccc(Br)cc4)s3)c(=O)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 L14 compound treatment 0.253 0.0095 0.47 0.253 0.00752 0.39 0.6045 0.9956 1971457 ChemDiv1_002368 COC(=O)C1=C(N)OC(=C(C(=O)C)C21C(=O)Nc3ccc(Br)cc32)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 L15 compound treatment 0.258 0.0145 0.71 0.26 0.0145 0.75 1.0335 0.9997 1157093 ChemDiv1_002369 CCN(CC)c1ccc2cc(C(=O)NC(=O)C)c(=Nc3cccc4ccccc34)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 L16 compound treatment 0.253 0.0095 0.47 0.247 0.00152 0.08 0.3861 0.8139 1456377 ChemDiv1_002370 CC(C)OC(=O)C1=C(N)OC(=C(C(=O)OCc2ccccc2)C31C(=O)Nc4ccccc43)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 L17 compound treatment 0.268 0.0245 1.21 0.267 0.0215 1.11 1.6365 0.9991 1971458 ChemDiv1_002371 COc1cccc2cc(C(=O)N)c(=Nc3cc(ccc3Cl)C(F)(F)F)oc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 L18 compound treatment 0.3 0.0565 2.78 0.303 0.0575 2.96 4.0615 0.9995 1971459 ChemDiv1_002372 [O-][N+](=O)c1cccc(c1)C2SCC(=O)N2c3ccc(Oc4ccccc4)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 L19 compound treatment 0.274 0.0305 1.5 0.275 0.0295 1.52 2.1367 1.0 1236786 ChemDiv1_002373 CCOC(=O)C1=C(C)NC(=C(C#N)C1c2cccs2)SCC(=O)C3(CC4CC5CC(C4)C3)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 L20 compound treatment 0.259 0.0155 0.76 0.26 0.0145 0.75 1.0683 0.9999 1535943 ChemDiv1_002374 Clc1ccc(C2Nc3ccc4ccccc4c3C5C=CCC52)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 L21 compound treatment 0.257 0.0135 0.66 0.254 0.00852 0.44 0.7802 0.9796 1971460 ChemDiv1_002375 FC(F)(F)c1cccc(NC(=O)CSc2nc3CCCc3cc2C#N)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 L22 compound treatment 0.279 0.0355 1.75 0.291 0.0455 2.34 2.8933 0.9896 1971461 ChemDiv1_002376 COCCOC(=O)C1=C(C)NC2=C(C1c3ccc(O)c(OC)c3)C(=O)CC(C2)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 L23 mock treatment 0.255 0.0115 0.57 0.248 0.00252 0.13 0.4921 0.847 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 L24 mock treatment 0.249 0.0055 0.27 0.253 0.00752 0.39 0.4652 0.9848 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 M01 compound treatment 0.238 -0.0055 -0.27 0.246 5.17E-4 0.03 -0.1727 -0.6345 1615293 ChemDiv1_002377 Cc1cc(C)c2nc3sc(=Cc4cc5OCOc5cc4Br)c(=O)n3c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 M02 compound treatment 0.251 0.0075 0.37 0.251 0.00552 0.28 0.462 0.9916 1271408 ChemDiv1_002378 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(=O)C)c(=O)n2C1c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 M03 compound treatment 0.251 0.0075 0.37 0.259 0.0135 0.7 0.7533 0.9561 1971462 ChemDiv1_002379 O=C1/C(=C/c2c[nH]nc2c3ccccc3)/Sc4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 M04 compound treatment 0.256 0.0125 0.62 0.256 0.0105 0.54 0.8182 0.9979 1684440 ChemDiv1_002380 COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)cc3OC(=O)C)c(=O)n2C1c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 M05 compound treatment 0.268 0.0245 1.21 0.265 0.0195 1.0 1.5637 0.9959 1924417 ChemDiv1_002381 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Cl)cc3)c(cc1OC)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 M06 compound treatment 0.263 0.0195 0.96 0.255 0.00952 0.49 1.0256 0.9512 1499025 ChemDiv1_002382 CCCN1C(=O)C(=c2sc3=NC(=C(C(c4ccc(OC)cc4)n3c2=O)C(=O)OCC)C)c5ccccc15 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 M07 compound treatment 0.267 0.0235 1.16 0.263 0.0175 0.9 1.4561 0.9924 1971463 ChemDiv1_002383 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(C)cc3)c(cc1OC)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 M08 compound treatment 0.326 0.0825 4.06 0.321 0.0755 3.89 5.6222 0.9998 1559469 ChemDiv1_002384 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OC(=O)C)c(=O)n2C1c4ccc(OC(=O)C)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 M09 compound treatment 0.397 0.154 7.56 0.42 0.175 8.98 11.6988 0.9963 1927596 ChemDiv1_002385 CC1=NN(C(=O)C1/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(C)cc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 M10 compound treatment 0.272 0.0285 1.4 0.269 0.0235 1.21 1.8487 0.9973 1779955 ChemDiv1_002386 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(=O)C)c(=O)n2C1c4cccc(c4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 M11 compound treatment 0.266 0.0225 1.11 0.263 0.0175 0.9 1.4213 0.9948 1971464 ChemDiv1_002387 Cc1cc(C)cc(/N=C\2/NC(=O)/C(=C/c3cccc(c3)[N+](=O)[O-])/S2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 M12 compound treatment 0.257 0.0135 0.66 0.257 0.0115 0.59 0.8894 0.9984 1148031 ChemDiv1_002388 CCCN1C(=O)C(=c2sc3=NC(=C(C(c4cccs4)n3c2=O)C(=O)OC)C)c5ccccc15 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 M13 compound treatment 0.304 0.0605 2.98 0.293 0.0475 2.45 3.8368 0.9952 1971465 ChemDiv1_002389 CC(=O)Oc1ccc(cc1)n2c(C)cc(/C=C/3\C(=O)NC(=O)N(C3=O)c4ccccc4)c2C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 M14 compound treatment 0.259 0.0155 0.76 0.256 0.0105 0.54 0.9227 0.9858 1943702 ChemDiv1_002390 COc1cccc(c1)N2C(=O)/C(=C\3/C(=O)Nc4ccc(Br)cc34)/SC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 M15 compound treatment 0.252 0.0085 0.42 0.253 0.00752 0.39 0.5697 0.9992 1971466 ChemDiv1_002391 [O-][N+](=O)c1ccc(cc1)n2c(cc(C=c3sc4nc5ccccc5n4c3=O)c2c6ccccc6)c7ccccc7 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 M16 compound treatment 0.277 0.0335 1.65 0.27 0.0245 1.26 2.0592 0.9912 1250356 ChemDiv1_002392 COc1ccc(COC(=O)C2=C(C)NC3=C(C2c4cc(Cl)c(O)c(OC)c4)C(=O)CC(C)(C)C3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 M17 compound treatment 0.27 0.0265 1.31 0.264 0.0185 0.95 1.597 0.9881 1971467 ChemDiv1_002393 [O-][N+](=O)c1ccc(cc1)C2Nc3c(cccc3C4C=CCC42)C(=O)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 M18 compound treatment 0.291 0.0475 2.34 0.301 0.0555 2.86 3.6752 0.9951 1971468 ChemDiv1_002394 CCOc1cc(cc(Br)c1O)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(Cl)cc4)C(=O)OCCOC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 M19 compound treatment 0.255 0.0115 0.57 0.256 0.0105 0.54 0.7834 0.9997 1971469 ChemDiv1_002395 COc1cc(cc2C3C=CCC3C(Nc12)c4cccc(Cl)c4Cl)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 M20 compound treatment 0.299 0.0555 2.73 0.307 0.0615 3.17 4.1723 0.9973 1348379 ChemDiv1_002396 CCOc1cc(cc(Br)c1O)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(OC)cc4)C(=O)OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 M21 compound treatment 0.264 0.0205 1.01 0.261 0.0155 0.8 1.2788 0.9933 1251838 ChemDiv1_002397 COc1cccc2C3C=CCC3C(Nc12)c4cccc5ccccc45 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 M22 compound treatment 0.251 0.0075 0.37 0.249 0.00352 0.18 0.3892 0.9462 1435924 ChemDiv1_002398 CCC(C)OC(=O)C1=C(C)NC2=C(C1c3ccc(OC(=O)C)cc3)C(=O)CC(C2)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 M23 mock treatment 0.249 0.0055 0.27 0.251 0.00552 0.28 0.3924 0.9997 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 M24 mock treatment 0.244 5.0E-4 0.02 0.239 -0.00648 -0.33 -0.2186 -0.6532 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 N01 compound treatment 0.262 0.0185 0.91 0.257 0.0115 0.59 1.0636 0.9783 1971470 ChemDiv1_002399 CCOc1cc(cc(Br)c1O)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)OCCSCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 N02 compound treatment 0.257 0.0135 0.66 0.257 0.0115 0.59 0.8894 0.9984 1971471 ChemDiv1_002400 CCOC(=O)CC(=O)CSc1nc(cc(c1C#N)c2ccc(OC)cc2)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 N03 compound treatment 0.296 0.0525 2.59 0.303 0.0575 2.96 3.9222 0.9977 1782455 ChemDiv1_002401 COc1ccc(COC(=O)C2=C(C)NC3=C(C2c4cc5OCOc5cc4[N+](=O)[O-])C(=O)CCC3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 N04 compound treatment 0.251 0.0075 0.37 0.25 0.00452 0.23 0.4256 0.9751 1493891 ChemDiv1_002402 COC(=O)C1=C(C)OC(=C(C#N)C21C(=O)Nc3ccccc32)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 N05 compound treatment 0.263 0.0195 0.96 0.25 0.00452 0.23 0.8436 0.8537 1971472 ChemDiv1_002403 COc1cc(cc(OC)c1OC)C(=O)N2N=C(CC2c3ccccc3[N+](=O)[O-])c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 N06 compound treatment 0.256 0.0125 0.62 0.249 0.00352 0.18 0.5634 0.8779 1233298 ChemDiv1_002404 CCOC(=O)C1=C(N)OC(=C(C(=O)OCC=C)C21C(=O)Nc3ccccc32)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 N07 compound treatment 0.266 0.0225 1.11 0.256 0.0105 0.54 1.1665 0.9457 1134157 ChemDiv1_002405 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C#N)C3c4ccc(Br)cc4)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 N08 compound treatment 0.254 0.0105 0.52 0.251 0.00552 0.28 0.5665 0.9602 1971473 ChemDiv1_002406 COCCOC(=O)C1=C(N)OC(=C(C(=O)OC(C)C)C21C(=O)Nc3ccccc32)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 N09 compound treatment 0.251 0.0075 0.37 0.249 0.00352 0.18 0.3892 0.9462 1971474 ChemDiv1_002407 CCC(=O)N1N=C(CC1c2cccc(OC)c2OC)c3ccc(cc3)C4=NN(C(C4)c5cccc(OC)c5OC)C(=O)CC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 N10 compound treatment 0.282 0.0385 1.9 0.283 0.0375 1.93 2.7066 1.0 1722287 ChemDiv1_002408 CC1=C(C(=O)OCc2ccccc2)C3(C(=O)Nc4ccccc43)C(=C(N)O1)C(=O)OCc5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 N11 compound treatment 0.251 0.0075 0.37 0.252 0.00652 0.34 0.4984 0.9988 1429576 ChemDiv1_002409 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)O)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 N12 compound treatment 0.25 0.0065 0.32 0.249 0.00352 0.18 0.3544 0.9636 1971475 ChemDiv1_002410 COCCOC(=O)C1=C(N)OC(=C(C(=O)C)C21C(=O)Nc3ccc(Br)cc32)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 N13 compound treatment 0.26 0.0165 0.81 0.256 0.0105 0.54 0.9575 0.9805 1971476 ChemDiv1_002411 FC(F)(F)c1cccc(Nc2nnc(s2)c3cc4cc(Br)ccc4oc3=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 N14 compound treatment 0.251 0.0075 0.37 0.248 0.00252 0.13 0.3528 0.9013 1211595 ChemDiv1_002412 COC(=O)C1=C(N)OC2=C(C(=O)CCC2)C31C(=O)Nc4ccc(Br)cc43 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 N15 compound treatment 0.257 0.0135 0.66 0.251 0.00552 0.28 0.671 0.928 1547701 ChemDiv1_002413 CC(=O)NC(=O)c1cc2cc(Br)ccc2oc1=Nc3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 N16 compound treatment 0.258 0.0145 0.71 0.251 0.00552 0.28 0.7058 0.9184 1609836 ChemDiv1_002414 CC(C)OC(=O)C1=C(N)OC(=C(C(=O)OCC=C)C21C(=O)Nc3ccccc32)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 N17 compound treatment 0.252 0.0085 0.42 0.25 0.00452 0.23 0.4605 0.9615 1971477 ChemDiv1_002415 COc1ccc(cc1Cn2nc(C)c([N+](=O)[O-])c2C)C3C(=C(N)OC4=C3C(=O)CC(C)(C)C4)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 N18 compound treatment 0.288 0.0445 2.19 0.286 0.0405 2.09 3.0247 0.9997 1971478 ChemDiv1_002416 COc1ccc(cc1Cl)N2C(SCC2=O)c3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 N19 compound treatment 0.254 0.0105 0.52 0.251 0.00552 0.28 0.5665 0.9602 1592337 ChemDiv1_002417 CC(NC(=O)CSc1nc(C)cc(C)c1C#N)C2(CC3CC4CC(C3)C2)C4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 N20 compound treatment 0.253 0.0095 0.47 0.251 0.00552 0.28 0.5317 0.9714 1782553 ChemDiv1_002418 COc1cccc2C3C=CCC3C(Nc12)c4ccccc4[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 N21 compound treatment 0.251 0.0075 0.37 0.253 0.00752 0.39 0.5348 0.9997 1662542 ChemDiv1_002419 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C2c3ccc(OCc4ccccc4)cc3)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 N22 compound treatment 0.247 0.0035 0.17 0.247 0.00152 0.08 0.1771 0.9359 1288313 ChemDiv1_002420 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4ccc(OC(=O)C)c(OC)c4)C(=O)OCc5ccccc5)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 N23 mock treatment 0.248 0.0045 0.22 0.25 0.00452 0.23 0.3212 0.9997 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 N24 mock treatment 0.212 -0.0315 -1.55 0.243 -0.00248 -0.13 -1.1874 -0.7628 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 O01 compound treatment 0.219 -0.0245 -1.21 0.236 -0.00948 -0.49 -1.1985 -0.9207 1939341 ChemDiv1_002421 COc1cc(C=c2sc3nc4c(C)cc(C)cc4n3c2=O)cc(Br)c1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 O02 compound treatment 0.246 0.0025 0.12 0.252 0.00652 0.34 0.3243 0.9074 1176507 ChemDiv1_002422 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC)c4ccccc34)c(=O)n2C1c5cccs5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 O03 compound treatment 0.25 0.0065 0.32 0.252 0.00652 0.34 0.4636 0.9997 1301724 ChemDiv1_002423 Cc1ccc2c(nc3sc(=Cc4cc5OCOc5cc4Br)c(=O)n32)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 O04 compound treatment 0.25 0.0065 0.32 0.251 0.00552 0.28 0.4272 0.9982 1557411 ChemDiv1_002424 COC(=O)C1=C(C)N=c2sc(=C3C(=O)N(C(=O)C)c4ccccc34)c(=O)n2C1c5ccc(OC)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 O05 compound treatment 0.314 0.0705 3.47 0.3 0.0545 2.81 4.4399 0.9944 1932996 ChemDiv1_002425 Clc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(Br)o3)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 O06 compound treatment 0.255 0.0115 0.57 0.25 0.00452 0.23 0.5649 0.9227 1621344 ChemDiv1_002426 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(C(=O)C)c4ccccc34)c(=O)n2C1c5ccc(OC)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 O07 compound treatment 0.34 0.0965 4.75 0.344 0.0985 5.07 6.9471 0.9995 1971479 ChemDiv1_002427 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(C)cc3)cc([N+](=O)[O-])c1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 O08 compound treatment 0.311 0.0675 3.32 0.322 0.0765 3.94 5.1362 0.9964 1528977 ChemDiv1_002428 COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)cc3OC(=O)C)c(=O)n2C1c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 O09 compound treatment 0.346 0.102 5.05 0.334 0.0885 4.56 6.792 0.9987 1971480 ChemDiv1_002429 COc1cccc(/C=C\2/S/C(=N\c3cc(C)cc(C)c3)/NC2=O)c1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 O10 compound treatment 0.253 0.0095 0.47 0.254 0.00852 0.44 0.6409 0.9995 1780902 ChemDiv1_002430 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC)c4ccccc34)c(=O)n2C1c5cccc(c5)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 O11 compound treatment 0.381 0.138 6.77 0.351 0.106 5.43 8.6298 0.994 1971481 ChemDiv1_002431 COc1cc(/C=C/2\S\C(=N/c3cc(C)cc(C)c3)\NC2=O)ccc1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 O12 compound treatment 0.251 0.0075 0.37 0.251 0.00552 0.28 0.462 0.9916 1495402 ChemDiv1_002432 CCCN1C(=O)C(=c2sc3=NC(=C(C(c4ccc(OC(=O)C)cc4)n3c2=O)C(=O)OCC)C)c5ccccc15 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 O13 compound treatment 0.4 0.157 7.71 0.388 0.143 7.34 10.6384 0.9997 1971482 ChemDiv1_002433 Cc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccccc3)c(C)n1c4cccc(c4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 O14 compound treatment 0.323 0.0795 3.92 0.297 0.0515 2.65 4.6441 0.982 1971483 ChemDiv1_002434 Cc1ccccc1N2C(=O)S/C(=C/3\C(=O)Nc4ccc(Br)cc34)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 O15 compound treatment 0.249 0.0055 0.27 0.255 0.00952 0.49 0.538 0.961 1588225 ChemDiv1_002435 OC(=O)c1cccc(c1)n2c(=O)c3ccc4c(=O)n(c5cccc(c5)C(=O)O)c(=O)c6ccc(c2=O)c3c46 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 O16 compound treatment 0.318 0.0745 3.67 0.31 0.0645 3.32 4.9432 0.9988 1971484 ChemDiv1_002436 COCCOC(=O)C1=C(C)NC2=C(C1c3cc(OC)ccc3OC)C(=O)CC(C2)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 O17 compound treatment 0.257 0.0135 0.66 0.259 0.0135 0.7 0.9622 0.9997 1549610 ChemDiv1_002437 Brc1ccc(cc1)C2Nc3c(cccc3C4C=CCC42)C(=O)N5CCCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 O18 compound treatment 0.272 0.0285 1.4 0.279 0.0335 1.73 2.2127 0.9948 1243768 ChemDiv1_002438 COc1ccc(COC(=O)C2=C(C)NC3=C(C2c4cc(Br)c(O)c(OC)c4)C(=O)CCC3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 O19 compound treatment 0.251 0.0075 0.37 0.245 -4.83E-4 -0.02 0.2436 0.658 1942147 ChemDiv1_002439 COc1cc(cc2C3C=CCC3C(Nc12)c4ccc(Br)cc4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 O20 compound treatment 0.249 0.0055 0.27 0.255 0.00952 0.49 0.538 0.961 1971485 ChemDiv1_002440 CCOc1cc(cc(Br)c1O)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccccc4)C(=O)OCCOC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 O21 compound treatment 0.245 0.0015 0.07 0.249 0.00352 0.18 0.1803 0.9218 1971486 ChemDiv1_002441 CCOc1cc([N+](=O)[O-])c2NC(C3CC=CC3c2c1)c4cccc(Cl)c4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 O22 compound treatment 0.261 0.0175 0.86 0.266 0.0205 1.06 1.3563 0.9949 1971487 ChemDiv1_002442 COCCOC(=O)C1=C(C)NC2=C(C1c3ccc4OCOc4c3)C(=O)CC(C2)c5ccc(OC)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 O23 mock treatment 0.248 0.0045 0.22 0.25 0.00452 0.23 0.3212 0.9997 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 O24 mock treatment 0.222 -0.0215 -1.06 0.219 -0.0265 -1.36 -1.7128 -0.9922 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 P01 compound treatment 0.258 0.0145 0.71 0.26 0.0145 0.75 1.0335 0.9997 1514017 ChemDiv1_002443 COc1ccc(COC(=O)C2=C(C)NC3=C(C2c4ccc(OCCO)c(OC)c4)C(=O)CC(C)(C)C3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 P02 compound treatment 0.234 -0.0095 -0.47 0.241 -0.00448 -0.23 -0.494 -0.9469 1971488 ChemDiv1_002444 Cc1cc(C)n(n1)C(=O)CSc2nc(cc(c2C#N)C(F)(F)F)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 P03 compound treatment 0.243 -5.0E-4 -0.02 0.243 -0.00248 -0.13 -0.1078 -0.8281 1971489 ChemDiv1_002445 COC(=O)c1ccc(cc1)N2C(SCC2=O)c3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 P04 compound treatment 0.226 -0.0175 -0.86 0.237 -0.00848 -0.44 -0.9183 -0.9503 1971490 ChemDiv1_002446 Cc1n[nH]c2OC(=C(C#N)C3(C(=O)Nc4ccccc43)c12)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 P05 compound treatment 0.244 5.0E-4 0.02 0.246 5.17E-4 0.03 0.0362 0.9992 1971491 ChemDiv1_002447 [O-][N+](=O)c1ccccc1C2CC(=NN2C(=O)c3cccs3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 P06 compound treatment 0.248 0.0045 0.22 0.243 -0.00248 -0.13 0.0663 0.2593 1971492 ChemDiv1_002448 COCCOC(=O)C1=C(N)OC(=C(C(=O)OCC=C)C21C(=O)Nc3ccccc32)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 P07 compound treatment 0.288 0.0445 2.19 0.285 0.0395 2.03 2.9883 0.9993 1782456 ChemDiv1_002449 CC1=C(C(C2=C(CC(CC2=O)c3ccccc3)N1)c4cc5OCOc5cc4[N+](=O)[O-])C(=O)OC6CCCC6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 P08 compound treatment 0.25 0.0065 0.32 0.246 5.17E-4 0.03 0.2452 0.7633 1218672 ChemDiv1_002450 COC(=O)C1=C(N)OC(=C(C(=O)OC(C)C)C21C(=O)Nc3ccccc32)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 P09 compound treatment 0.305 0.0615 3.03 0.3 0.0545 2.81 4.1264 0.9993 1971493 ChemDiv1_002451 O=C1CC(=NN1c2ccccc2)c3ccc(cc3)C4=NN(C(=O)C4)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 P10 compound treatment 0.279 0.0355 1.75 0.284 0.0385 1.98 2.6385 0.998 1782695 ChemDiv1_002452 CCOC(=O)C1=C(C)OC(=C(C(=O)OCc2ccccc2)C31C(=O)Nc4ccccc43)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 P11 compound treatment 0.24 -0.0035 -0.17 0.242 -0.00348 -0.18 -0.2487 -0.9998 1537396 ChemDiv1_002453 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 P12 compound treatment 0.289 0.0455 2.24 0.279 0.0335 1.73 2.8047 0.9917 1608280 ChemDiv1_002454 CC1=C(C(=O)OC(C)(C)C)C2(C(=O)Nc3ccc(Br)cc32)C(=C(N)O1)C(=O)OC(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 P13 compound treatment 0.238 -0.0055 -0.27 0.241 -0.00448 -0.23 -0.3547 -0.9968 1601015 ChemDiv1_002455 O=c1oc2c3CCCN4CCCc(cc2cc1c5nnc(Nc6ccccc6)s5)c43 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 P14 compound treatment 0.246 0.0025 0.12 0.238 -0.00748 -0.39 -0.1853 -0.4582 1971494 ChemDiv1_002456 NC1=C(C#N)C2(C(=O)Nc3ccccc32)c4ccc(N)cc4O1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 P15 compound treatment 0.246 0.0025 0.12 0.25 0.00452 0.23 0.2515 0.9558 1971495 ChemDiv1_002457 CC(=O)NC(=O)c1cc2cc(Cl)ccc2oc1=Nc3cccc(c3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 P16 compound treatment 0.261 0.0175 0.86 0.263 0.0175 0.9 1.2471 0.9997 1717456 ChemDiv1_002458 CCCC1=C(C(=O)OCC)C2(C(=O)Nc3ccccc32)C(=C(N)O1)C(=O)OC(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 P17 compound treatment 0.244 5.0E-4 0.02 0.248 0.00252 0.13 0.109 0.8267 1159202 ChemDiv1_002459 CCOC(=O)CC1=C(C(C(=C(N)O1)C#N)c2cccc(Cl)c2Cl)C(=O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 P18 compound treatment 0.241 -0.0025 -0.12 0.239 -0.00648 -0.33 -0.3231 -0.9082 1971496 ChemDiv1_002460 FC(F)(F)c1cccc(c1)N2C(SCC2=O)c3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 P19 compound treatment 0.243 -5.0E-4 -0.02 0.239 -0.00648 -0.33 -0.2534 -0.7572 1150627 ChemDiv1_002461 CCOC(=O)CC1=C(C(C(=C(N)O1)C#N)c2c(Cl)cccc2Cl)C(=O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 P20 compound treatment 0.247 0.0035 0.17 0.243 -0.00248 -0.13 0.0315 0.1469 1971497 ChemDiv1_002462 COc1ccccc1C(=O)OCCCN(C2=NS(=O)(=O)c3ccccc23)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 P21 compound treatment 0.24 -0.0035 -0.17 0.245 -4.83E-4 -0.02 -0.1395 -0.8008 1971498 ChemDiv1_002463 COC(=O)C1=C(C)OC(=C(C#N)C1c2ccccc2)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 P22 compound treatment 0.232 -0.0115 -0.57 0.221 -0.0245 -1.26 -1.2917 -0.9348 1951327 ChemDiv1_002464 Cc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)/N(C2=O)c4ccccc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 P23 mock treatment 0.23 -0.0135 -0.66 0.217 -0.0285 -1.47 -1.507 -0.936 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.593 P24 mock treatment 0.201 -0.0425 -2.09 0.203 -0.0425 -2.19 -3.0266 -0.9998 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 A01 compound treatment 0.178 -0.0677 -3.33 0.177 -0.0677 -3.48 -4.8214 -0.9998 1971499 ChemDiv1_002465 Nc1nc(NCc2ccccc2)nc(NCc3ccccc3)c1[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 A02 compound treatment 0.214 -0.0317 -1.56 0.215 -0.0297 -1.53 -2.1843 -0.9999 1971500 ChemDiv1_002466 CCOCCOC(=O)C1=C(C)NC2=C(C1c3ccc(Br)cc3)C(=O)CC(C2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 A03 compound treatment 0.241 -0.0047 -0.23 0.229 -0.0157 -0.81 -0.7344 -0.8747 1157023 ChemDiv1_002467 Cc1ccc2nc(nc(c3ccccc3)c2c1)N4CC(=O)Nc5ccccc45 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 A04 compound treatment 0.257 0.0113 0.56 0.24 -0.00468 -0.24 0.2233 0.3682 1971501 ChemDiv1_002468 CCOCCOC(=O)C1=C(C)NC2=C(C1c3ccc(OC)cc3OC)C(=O)CC(C2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 A05 compound treatment 0.195 -0.0507 -2.5 0.196 -0.0487 -2.51 -3.5377 -1.0 1676856 ChemDiv1_002469 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nnc(s2)C3(CC4CC5CC(C4)C3)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 A06 compound treatment 0.2 -0.0457 -2.25 0.205 -0.0397 -2.04 -3.0359 -0.9988 1971502 ChemDiv1_002470 Cc1ccc(/C=C/2\SC(=S)N(CCC(=O)Nc3sc4CCCCc4c3C(=O)N)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 A07 compound treatment 0.202 -0.0437 -2.15 0.202 -0.0427 -2.2 -3.0755 -0.9999 1971503 ChemDiv1_002471 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4ccccc4)c5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 A08 compound treatment 0.234 -0.0117 -0.58 0.235 -0.00968 -0.5 -0.7598 -0.9974 1971504 ChemDiv1_002472 COCCOC(=O)C1=C(C)NC2=C(C1c3cc(OC)c(OC)c(OC)c3)C(=O)CC(C2)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 A09 compound treatment 0.211 -0.0347 -1.71 0.219 -0.0257 -1.32 -2.1432 -0.9919 1971505 ChemDiv1_002473 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4cc(C)cc(C)c4)c5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 A10 compound treatment 0.21 -0.0357 -1.76 0.215 -0.0297 -1.53 -2.3237 -0.9975 1971506 ChemDiv1_002474 COc1cc(N/C=C(\C#N)/c2nc(cs2)c3cc4cc(ccc4oc3=O)[N+](=O)[O-])c(OC)cc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 A11 compound treatment 0.223 -0.0227 -1.12 0.212 -0.0327 -1.68 -1.9801 -0.9803 1971507 ChemDiv1_002475 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4ccc(F)cc4)c5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 A12 compound treatment 0.226 -0.0197 -0.97 0.227 -0.0177 -0.91 -1.3296 -0.9995 1971508 ChemDiv1_002476 COc1ccc(cc1OC)C2=NN3C(C2)c4cc(Cl)ccc4OC3c5ccc(cc5)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 A13 compound treatment 0.312 0.0663 3.27 0.286 0.0413 2.13 3.8133 0.9784 1971509 ChemDiv1_002477 CSc1nc2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 A14 compound treatment 0.237 -0.0087 -0.43 0.205 -0.0397 -2.04 -1.7474 -0.8372 1373124 ChemDiv1_002478 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(C(=O)C)c4ccccc34)c(=O)n2C1c5ccc(OC)c(OC)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 A15 compound treatment 0.222 -0.0237 -1.17 0.218 -0.0267 -1.37 -1.7965 -0.9967 1971510 ChemDiv1_002479 Clc1c(sc2ccccc12)C(=O)Nc3ccc(Br)cc3C(=O)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 A16 compound treatment 0.238 -0.0077 -0.38 0.22 -0.0247 -1.27 -1.1665 -0.8798 1131393 ChemDiv1_002480 COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)c(OC)c3)c(=O)n2C1c4ccc(OC(=O)C)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 A17 compound treatment 0.211 -0.0347 -1.71 0.226 -0.0187 -0.96 -1.8884 -0.963 1971511 ChemDiv1_002481 Cc1ccc(/N=C\2/NC(=O)C(Cc3cccc(Cl)c3)S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 A18 compound treatment 0.198 -0.0477 -2.35 0.226 -0.0187 -0.96 -2.3411 -0.9223 1944535 ChemDiv1_002482 Cc1cccn2c(=O)c(/C=C/3\SC(=S)N(Cc4ccccc4)C3=O)c(nc12)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 A19 compound treatment 0.192 -0.0537 -2.64 0.209 -0.0357 -1.84 -3.169 -0.9841 1720424 ChemDiv1_002483 COc1ccc(cc1)C2=NN(C(C2)c3ccc(F)cc3)S(=O)(=O)c4ccc(C)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 A20 compound treatment 0.313 0.0673 3.31 0.305 0.0603 3.11 4.5397 0.9995 1971512 ChemDiv1_002484 CCSCCOC(=O)C1=C(C)NC2=C(C1c3ccc(OC)cc3OC)C(=O)CC(C2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 A21 compound treatment 0.216 -0.0297 -1.46 0.224 -0.0207 -1.06 -1.7871 -0.9878 1378260 ChemDiv1_002485 CCOc1cc(cc(Br)c1O)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)OCC4CCCO4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 A22 compound treatment 0.197 -0.0487 -2.4 0.204 -0.0407 -2.09 -3.1768 -0.9977 1127140 ChemDiv1_002486 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4cc5OCOc5cc4Cl)C(=O)OC(C)C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 A23 mock treatment 0.215 -0.0307 -1.51 0.209 -0.0357 -1.84 -2.3679 -0.9953 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 A24 mock treatment 0.187 -0.0587 -2.89 0.182 -0.0627 -3.23 -4.326 -0.9985 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 B01 compound treatment 0.207 -0.0387 -1.91 0.202 -0.0427 -2.2 -2.9014 -0.9975 1971513 ChemDiv1_002487 CC(=O)N1N=C(CC1c2ccccc2Cl)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 B02 compound treatment 0.263 0.0173 0.85 0.25 0.00532 0.27 0.7963 0.8896 1148037 ChemDiv1_002488 CCOC(=O)c1c(CN2CCCC2)n(C3CCCCC3)c4cc(Br)c(O)cc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 B03 compound treatment 0.278 0.0323 1.59 0.277 0.0323 1.66 2.3015 0.9997 1864208 ChemDiv1_002489 [O-][N+](=O)c1cccc2C(=O)N(CCC(=O)Nc3ccc(Cl)cc3C(=O)c4ccccc4)C(=O)c21 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 B04 compound treatment 0.267 0.0213 1.05 0.264 0.0193 0.99 1.4452 0.9996 1204389 ChemDiv1_002490 CCOC(=O)c1c(CN2CCOCC2)n(Cc3ccccc3)c4cc(Br)c(O)cc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 B05 compound treatment 0.259 0.0133 0.66 0.253 0.00832 0.43 0.7662 0.9788 1326542 ChemDiv1_002491 Oc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1c4nc5ccccc5o4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 B06 compound treatment 0.253 0.0073 0.36 0.251 0.00632 0.33 0.4844 0.9988 1971514 ChemDiv1_002492 O=C(CSc1nc2ccccc2o1)Nc3sc4CCCCc4c3C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 B07 compound treatment 0.258 0.0123 0.61 0.257 0.0123 0.63 0.8769 0.9997 1693801 ChemDiv1_002493 CC(Sc1nc2ccccc2[nH]1)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 B08 compound treatment 0.328 0.0823 4.05 0.325 0.0803 4.14 5.7902 1.0 1708083 ChemDiv1_002494 CC1=C(C(NC(=O)N1)c2ccc(OCc3ccccc3)cc2)C(=O)OCCc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 B09 compound treatment 0.262 0.0163 0.8 0.26 0.0153 0.79 1.1255 1.0 1399757 ChemDiv1_002495 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C#N)C3c4cc5OCOc5cc4Cl)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 B10 compound treatment 0.255 0.0093 0.46 0.255 0.0103 0.53 0.6997 0.9973 1052712 ChemDiv1_002496 CN(C)c1nc2c(N)ncnc2n1C3OC(CO)C(O)C3O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 B11 compound treatment 0.259 0.0133 0.66 0.254 0.00932 0.48 0.8026 0.9883 1971515 ChemDiv1_002497 Fc1ccc(NC(=O)CSc2nnc3sc4ccccc4n23)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 B12 compound treatment 0.255 0.0093 0.46 0.26 0.0153 0.79 0.8817 0.9666 1971516 ChemDiv1_002498 Cc1ccc(cc1)C2C(=C(Oc3ccccc23)c4ccccc4)C=c5sc6nc7ccccc7n6c5=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 B13 compound treatment 0.313 0.0673 3.31 0.3 0.0553 2.85 4.3577 0.9971 1309748 ChemDiv1_002499 Clc1ccccc1C(=O)Nc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 B14 compound treatment 0.268 0.0223 1.1 0.263 0.0183 0.94 1.4436 0.9971 1971517 ChemDiv1_002500 Oc1ccc(cc1N/C=C\2/Sc3ccccc3C2=O)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 B15 compound treatment 0.275 0.0293 1.44 0.279 0.0343 1.77 2.2699 0.9949 1682130 ChemDiv1_002501 Cc1nc2cc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4)ccc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 B16 compound treatment 0.264 0.0183 0.9 0.258 0.0133 0.69 1.1223 0.9909 1971518 ChemDiv1_002502 Brc1ccc(cc1)c2nc3scc(c4cccs4)c3c(=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 B17 compound treatment 0.278 0.0323 1.59 0.284 0.0393 2.02 2.5563 0.9929 1530496 ChemDiv1_002503 CCOc1ccc(cc1OC)C2NC(=O)NC(=C2C(=O)OCCc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 B18 compound treatment 0.257 0.0113 0.56 0.254 0.00932 0.48 0.7329 0.9973 1971519 ChemDiv1_002504 Fc1ccc(cc1)c2nc3scc(c4ccc(Br)cc4)c3c(=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 B19 compound treatment 0.249 0.0033 0.16 0.248 0.00332 0.17 0.2359 0.9997 1315811 ChemDiv1_002505 CCOC(=O)c1c(CSc2ccccc2)n(C)c3cc(Br)c(OC(=O)C)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 B20 compound treatment 0.251 0.0053 0.26 0.253 0.00832 0.43 0.4875 0.9718 1971520 ChemDiv1_002506 CCCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)c3ccc(F)cc3)c4ccccc4c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 B21 compound treatment 0.292 0.0463 2.28 0.293 0.0483 2.49 3.3715 0.9991 1572976 ChemDiv1_002507 CCOC(=O)c1c(CSc2ccccc2)n(C)c3ccc(O)c(CN4CCN(C)CC4)c13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 B22 compound treatment 0.262 0.0163 0.8 0.26 0.0153 0.79 1.1255 1.0 1122460 ChemDiv1_002508 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)Cc3ccccc3)c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 B23 mock treatment 0.252 0.0063 0.31 0.25 0.00532 0.27 0.4132 0.9981 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 B24 mock treatment 0.242 -0.0037 -0.18 0.235 -0.00968 -0.5 -0.4811 -0.907 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 C01 compound treatment 0.232 -0.0137 -0.67 0.227 -0.0177 -0.91 -1.1206 -0.9892 1971521 ChemDiv1_002509 Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccc(C)cc3)n2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 C02 compound treatment 0.305 0.0593 2.92 0.297 0.0523 2.69 3.9699 0.9992 1971522 ChemDiv1_002510 CC1=C(C(C2=C(CC(CC2=O)c3ccccc3)N1)c4cccc(O)c4)C(=O)OCCOc5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 C03 compound treatment 0.252 0.0063 0.31 0.252 0.00732 0.38 0.486 0.9953 1265470 ChemDiv1_002511 O=C1CN(c2nc(c3ccccc3)c4ccccc4n2)c5ccccc5N1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 C04 compound treatment 0.258 0.0123 0.61 0.255 0.0103 0.53 0.8041 0.9979 1971523 ChemDiv1_002512 COCCOC(=O)C1=C(C)NC2=C(C1c3ccc(OC(=O)C)c(OC)c3)C(=O)CC(C2)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 C05 compound treatment 0.245 -7.0E-4 -0.03 0.24 -0.00468 -0.24 -0.1946 -0.8002 1640475 ChemDiv1_002513 Clc1ccccc1c2nnc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 C06 compound treatment 0.246 3.0E-4 0.01 0.245 3.23E-4 0.02 0.0222 0.9983 1943670 ChemDiv1_002514 CC/N=C/1\SC(CC(=O)Nc2ccc(cc2)N3CCOCC3)C(=O)N1CC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 C07 compound treatment 0.258 0.0123 0.61 0.255 0.0103 0.53 0.8041 0.9979 1971524 ChemDiv1_002515 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)Cc4ccccc4)c5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 C08 compound treatment 0.266 0.0203 1.0 0.263 0.0183 0.94 1.374 0.9996 1166536 ChemDiv1_002516 COc1cc(cc(Br)c1O)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)OCC4CCCO4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 C09 compound treatment 0.249 0.0033 0.16 0.246 0.00132 0.07 0.1631 0.9254 1971525 ChemDiv1_002517 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4ccccc4Cl)c5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 C10 compound treatment 0.247 0.0013 0.06 0.247 0.00232 0.12 0.1298 0.9572 1971526 ChemDiv1_002518 COc1ccc(Cl)cc1N/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 C11 compound treatment 0.246 3.0E-4 0.01 0.244 -6.77E-4 -0.03 -0.0142 -0.3752 1971527 ChemDiv1_002519 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4ccc(C)c(C)c4)c5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 C12 compound treatment 0.302 0.0563 2.77 0.305 0.0603 3.11 4.1566 0.9984 1600395 ChemDiv1_002520 COc1ccc(cc1OC)C2=NN3C(C2)c4cc(Cl)ccc4OC3c5ccc(F)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 C13 compound treatment 0.272 0.0263 1.3 0.272 0.0273 1.41 1.9106 0.9992 1652527 ChemDiv1_002521 CSc1nc2ccc(NC(=O)c3cccc(F)c3)cc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 C14 compound treatment 0.247 0.0013 0.06 0.244 -6.77E-4 -0.03 0.0206 0.2828 1313173 ChemDiv1_002522 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(C)c4ccccc34)c(=O)n2C1c5ccc(OC)c(OC)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 C15 compound treatment 0.247 0.0013 0.06 0.249 0.00432 0.22 0.2026 0.8751 1170535 ChemDiv1_002523 Cc1ccc(NC(=O)c2ccccc2NC(=O)c3sc4ccccc4c3Cl)c(c1)C(=O)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 C16 compound treatment 0.285 0.0393 1.94 0.29 0.0453 2.33 3.0186 0.9957 1389726 ChemDiv1_002524 CCOc1cc(C=c2sc3=NC(=C(C(c4ccc(OC(=O)C)cc4)n3c2=O)C(=O)OC)C)ccc1OC(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 C17 compound treatment 0.302 0.0563 2.77 0.3 0.0553 2.85 3.9746 0.9999 1971528 ChemDiv1_002525 Clc1ccc(CC2S/C(=N\c3ccccc3)/NC2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 C18 compound treatment 0.249 0.0033 0.16 0.251 0.00632 0.33 0.3451 0.9485 1971529 ChemDiv1_002526 Cc1cccn2c(=O)c(/C=C/3\SC(=S)N(CCc4ccccc4)C3=O)c(nc12)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 C19 compound treatment 0.255 0.0093 0.46 0.252 0.00732 0.38 0.5905 0.9953 1439783 ChemDiv1_002527 CC(C)OC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(Br)cc3)cc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 C20 compound treatment 0.306 0.0603 2.97 0.297 0.0523 2.69 4.0047 0.9988 1371322 ChemDiv1_002528 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4cc(Br)c(O)c(OC)c4)C(=O)OC(C)C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 C21 compound treatment 0.243 -0.0027 -0.13 0.244 -6.77E-4 -0.03 -0.1187 -0.8633 1725443 ChemDiv1_002529 COc1cc(ccc1OCc2ccccc2)C3C(=C(C)NC4=C3C(=O)CCC4)C(=O)OCC5CCCO5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 C22 compound treatment 0.269 0.0233 1.15 0.264 0.0193 0.99 1.5149 0.9975 1971530 ChemDiv1_002530 CCSCCOC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3Br)C(=O)CCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 C23 mock treatment 0.24 -0.0057 -0.28 0.237 -0.00768 -0.4 -0.478 -0.986 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 C24 mock treatment 0.227 -0.0187 -0.92 0.23 -0.0147 -0.76 -1.1856 -0.9952 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 D01 compound treatment 0.25 0.0043 0.21 0.245 3.23E-4 0.02 0.1615 0.7602 1971531 ChemDiv1_002531 OC(=O)CCC(=O)N1N=C(CC1c2ccccc2Cl)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 D02 compound treatment 0.256 0.0103 0.51 0.254 0.00932 0.48 0.6981 0.9996 1148514 ChemDiv1_002532 CCOC(=O)c1c(CN2CCCC2)n(c3ccccc3)c4cc(Br)c(O)cc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 D03 compound treatment 0.254 0.0083 0.41 0.255 0.0103 0.53 0.6648 0.9916 1782780 ChemDiv1_002533 [O-][N+](=O)c1cccc2C(=O)N(CCC(=O)NCc3ccco3)C(=O)c21 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 D04 compound treatment 0.264 0.0183 0.9 0.267 0.0223 1.15 1.4499 0.9928 1711510 ChemDiv1_002534 CCOC(=O)c1c(CN2CCCC2)n(Cc3ccccc3)c4cc(Br)c(O)cc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 D05 compound treatment 0.256 0.0103 0.51 0.255 0.0103 0.53 0.7345 0.9997 1204685 ChemDiv1_002535 COc1ccc(Br)cc1C(=O)Nc2ccc(c3nc4ccccc4o3)c(O)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 D06 compound treatment 0.309 0.0633 3.12 0.302 0.0573 2.95 4.2912 0.9996 1971532 ChemDiv1_002536 COCCOC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3[N+](=O)[O-])C(=O)CC(C2)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 D07 compound treatment 0.26 0.0143 0.7 0.255 0.0103 0.53 0.8738 0.9904 1342557 ChemDiv1_002537 NC(=O)Cn1c(CSc2nc3ccccc3n2CC(=O)N)nc4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 D08 compound treatment 0.264 0.0183 0.9 0.266 0.0213 1.1 1.4135 0.9952 1582220 ChemDiv1_002538 O=c1[nH]c(=S)[nH]c2sc3CCCc3c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 D09 compound treatment 0.27 0.0243 1.2 0.265 0.0203 1.05 1.5861 0.9978 1971533 ChemDiv1_002539 CCOc1cc(ccc1O)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(OC)cc4)C(=O)OCCOC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 D10 compound treatment 0.254 0.0083 0.41 0.251 0.00632 0.33 0.5192 0.9936 1652999 ChemDiv1_002540 COCc1cc(C)nc2sc(C(=O)c3ccccc3)c(NC(=O)c4ccco4)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 D11 compound treatment 0.281 0.0353 1.74 0.277 0.0323 1.66 2.406 0.9998 1156017 ChemDiv1_002541 Cc1cc(=O)oc2cc(Oc3nnc(c4ccccc4)c5ccccc35)ccc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 D12 compound treatment 0.261 0.0153 0.75 0.262 0.0173 0.89 1.1634 0.9965 1971534 ChemDiv1_002542 Cc1ccccc1C2C(=C(Oc3ccccc23)c4cccs4)C=c5sc6nc7ccccc7n6c5=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 D13 compound treatment 0.304 0.0583 2.87 0.289 0.0443 2.28 3.6439 0.9935 1323028 ChemDiv1_002543 Brc1ccc(cc1)C(=O)Nc2nc3ccc(NC(=O)c4ccc(Br)cc4)cc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 D14 compound treatment 0.257 0.0113 0.56 0.263 0.0183 0.94 1.0605 0.9683 1971535 ChemDiv1_002544 CCOc1ccc(cc1)N(/C=C/2\Sc3ccccc3C2=O)C(=O)c4cccc(Cl)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 D15 compound treatment 0.276 0.0303 1.49 0.277 0.0323 1.66 2.2319 0.9985 1697517 ChemDiv1_002545 COc1ccc(cc1)C(=O)COC(=O)c2ccc(cc2)N3C(=O)C4CC=CC(C)C4C3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 D16 compound treatment 0.259 0.0133 0.66 0.261 0.0163 0.84 1.0574 0.9924 1971536 ChemDiv1_002546 Clc1cccc(c1)c2nc3scc(c4ccc(Br)cc4)c3c(=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 D17 compound treatment 0.299 0.0533 2.63 0.3 0.0553 2.85 3.8702 0.9992 1140184 ChemDiv1_002547 CCCOC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3Br)C(=O)CC(C2)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 D18 compound treatment 0.275 0.0293 1.44 0.279 0.0343 1.77 2.2699 0.9949 1971537 ChemDiv1_002548 Fc1ccccc1c2nc3scc(c4cccs4)c3c(=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 D19 compound treatment 0.31 0.0643 3.17 0.31 0.0653 3.36 4.6173 0.9996 1423351 ChemDiv1_002549 CCOC(=O)c1c(CSc2ccccc2)n(c3ccccc3)c4cc(Br)c(O)c(CN(C)C)c14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 D20 compound treatment 0.278 0.0323 1.59 0.269 0.0243 1.25 2.0103 0.993 1158762 ChemDiv1_002550 CCOC(=O)c1c(C)n(c2cccc(Br)c2)c3c1cc(O)c4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 D21 compound treatment 0.275 0.0293 1.44 0.28 0.0353 1.82 2.3063 0.9934 1285692 ChemDiv1_002551 CCOC(=O)c1c(CSc2ccccc2)n(C3CCCCC3)c4cc(Br)c(O)cc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 D22 compound treatment 0.253 0.0073 0.36 0.248 0.00332 0.17 0.3752 0.9423 1626003 ChemDiv1_002552 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)COc3ccccc3)c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 D23 mock treatment 0.249 0.0033 0.16 0.253 0.00832 0.43 0.4179 0.9119 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 D24 mock treatment 0.239 -0.0067 -0.33 0.242 -0.00268 -0.14 -0.3308 -0.925 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 E01 compound treatment 0.247 0.0013 0.06 0.241 -0.00368 -0.19 -0.0886 -0.4433 1971538 ChemDiv1_002553 [O-][N+](=O)c1ccc(s1)C(=O)Nc2nc(cs2)c3cc(Cl)sc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 E02 compound treatment 0.25 0.0043 0.21 0.249 0.00432 0.22 0.3071 0.9997 1713752 ChemDiv1_002554 CCCOc1ccc(cc1OC)C2NC(=O)NC(=C2C(=O)OCCc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 E03 compound treatment 0.276 0.0303 1.49 0.272 0.0273 1.41 2.0499 0.9996 1971539 ChemDiv1_002555 OC(=O)CCC(=O)N1N=C(CC1c2ccccc2Cl)c3c(c4ccccc4)c5cc(Br)ccc5[nH]c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 E04 compound treatment 0.289 0.0433 2.13 0.284 0.0393 2.02 2.9394 0.9997 1345475 ChemDiv1_002556 CCOc1cc(ccc1OC(=O)C)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccccc4)C(=O)OC(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 E05 compound treatment 0.28 0.0343 1.69 0.276 0.0313 1.61 2.3348 0.9997 1971540 ChemDiv1_002557 COCCN(CCOC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nnc(s2)c3ccccc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 E06 compound treatment 0.305 0.0593 2.92 0.283 0.0383 1.97 3.4603 0.9818 1971541 ChemDiv1_002558 [O-][N+](=O)c1ccc(NC(=O)CC2S/C(=N\c3ccccc3)/N(C2=O)c4ccccc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 E07 compound treatment 0.265 0.0193 0.95 0.261 0.0163 0.84 1.2663 0.9981 1971542 ChemDiv1_002559 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4ccccc4C)c5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 E08 compound treatment 0.27 0.0243 1.2 0.264 0.0193 0.99 1.5497 0.9958 1971543 ChemDiv1_002560 COc1ccc(N/C=C(\C#N)/c2nc(cs2)c3cc4cc(ccc4oc3=O)[N+](=O)[O-])c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 E09 compound treatment 0.267 0.0213 1.05 0.263 0.0183 0.94 1.4088 0.9986 1971544 ChemDiv1_002561 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4ccccc4F)c5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 E10 compound treatment 0.262 0.0163 0.8 0.261 0.0163 0.84 1.1619 0.9997 1971545 ChemDiv1_002562 FC(F)(F)c1cccc(N/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 E11 compound treatment 0.255 0.0093 0.46 0.259 0.0143 0.74 0.8453 0.9738 1971546 ChemDiv1_002563 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4ccc(OCC)cc4)c5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 E12 compound treatment 0.307 0.0613 3.02 0.299 0.0543 2.8 4.1124 0.9993 1225931 ChemDiv1_002564 COc1ccc(cc1OC)C2=NN3C(C2)c4cc(Cl)ccc4OC3c5ccncc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 E13 compound treatment 0.288 0.0423 2.08 0.285 0.0403 2.08 2.941 1.0 1514621 ChemDiv1_002565 Cc1nc2ccc(NC(=O)c3ccc(Cc4ccccc4)cc3)cc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 E14 compound treatment 0.256 0.0103 0.51 0.257 0.0123 0.63 0.8073 0.9939 1562123 ChemDiv1_002566 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(C)c4ccccc34)c(=O)n2C1c5ccc(OC(=O)C)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 E15 compound treatment 0.259 0.0133 0.66 0.255 0.0103 0.53 0.839 0.9946 1971547 ChemDiv1_002567 Clc1c(sc2ccccc12)C(=O)Nc3sc4CCCCc4c3c5nc6ccccc6s5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 E16 compound treatment 0.257 0.0113 0.56 0.26 0.0153 0.79 0.9513 0.9854 1943969 ChemDiv1_002568 COc1ccc(CCN2C(=O)/C(=C\3/C(=O)N(C)c4ccccc34)/SC2=S)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 E17 compound treatment 0.288 0.0423 2.08 0.286 0.0413 2.13 2.9774 0.9999 1971548 ChemDiv1_002569 Cc1ccc(/N=C\2/NC(=O)C(Cc3ccc(Cl)cc3)S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 E18 compound treatment 0.282 0.0363 1.79 0.284 0.0393 2.02 2.6957 0.9981 1971549 ChemDiv1_002570 CCOC(=O)c1c(C)c(sc1NC(NC(=O)C(C)C)C(Cl)(Cl)Cl)C(=O)Nc2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 E19 compound treatment 0.254 0.0083 0.41 0.258 0.0133 0.69 0.774 0.9694 1597209 ChemDiv1_002571 CCOC(=O)c1c(oc2ccc(OC(=O)c3ccc(Cl)cc3)cc12)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 E20 compound treatment 0.256 0.0103 0.51 0.256 0.0113 0.58 0.7709 0.9976 1944644 ChemDiv1_002572 COc1cc(cc(OC)c1OC)c2nnc(SCc3c(F)cccc3Cl)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 E21 compound treatment 0.32 0.0743 3.66 0.314 0.0693 3.57 5.1112 0.9999 1971550 ChemDiv1_002573 CCSCCOC(=O)C1=C(C)NC2=C(C1c3cccc(OC)c3OC)C(=O)CC(C2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 E22 compound treatment 0.315 0.0693 3.41 0.304 0.0593 3.05 4.573 0.9985 1151430 ChemDiv1_002574 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4cc5OCOc5cc4Br)C(=O)OC(C)C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 E23 mock treatment 0.251 0.0053 0.26 0.249 0.00432 0.22 0.3419 0.9968 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 E24 mock treatment 0.247 0.0013 0.06 0.243 -0.00168 -0.09 -0.0158 -0.1469 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 F01 compound treatment 0.277 0.0313 1.54 0.25 0.00532 0.27 1.2838 0.8199 1971551 ChemDiv1_002575 Cc1ccc2cc(C3=NN(C(C3)c4ccc(Br)cc4)C(=O)CCC(=O)O)c(Cl)nc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 F02 compound treatment 0.257 0.0113 0.56 0.254 0.00932 0.48 0.7329 0.9973 1696090 ChemDiv1_002576 CCOC(=O)c1c(CN2CCN(C)CC2)n(c3ccccc3)c4cc(Br)c(O)cc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 F03 compound treatment 0.258 0.0123 0.61 0.258 0.0133 0.69 0.9133 0.9981 1782781 ChemDiv1_002577 CN(Cc1ccccc1)C(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 F04 compound treatment 0.271 0.0253 1.25 0.273 0.0283 1.46 1.9121 0.9969 1348231 ChemDiv1_002578 Nc1c(oc2ccc(Br)cc12)C(=O)C3CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 F05 compound treatment 0.299 0.0533 2.63 0.289 0.0443 2.28 3.4697 0.9976 1337758 ChemDiv1_002579 Oc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1c4nc5ccccc5s4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 F06 compound treatment 0.283 0.0373 1.84 0.283 0.0383 1.97 2.6941 0.9994 1692200 ChemDiv1_002580 COc1cc(ccc1OCc2ccccc2)C3NC(=O)NC(=C3C(=O)OC4CCCC4)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 F07 compound treatment 0.281 0.0353 1.74 0.276 0.0313 1.61 2.3696 0.9993 1546625 ChemDiv1_002581 COc1ccc2NC(C3CC=CC3c2c1)c4ccc(Cl)cc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 F08 compound treatment 0.318 0.0723 3.56 0.315 0.0703 3.62 5.0779 1.0 1971552 ChemDiv1_002582 Cc1nnc(/N=C\2/S\C(=C\c3cccs3)\C(=O)N2CC=C)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 F09 compound treatment 0.291 0.0453 2.23 0.297 0.0523 2.69 3.4823 0.9956 1971553 ChemDiv1_002583 CCOc1cc(ccc1O)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(Cl)cc4)C(=O)OCCOC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 F10 compound treatment 0.278 0.0323 1.59 0.277 0.0323 1.66 2.3015 0.9997 1238392 ChemDiv1_002584 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc(OC)c(OC)c(OC)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 F11 compound treatment 0.258 0.0123 0.61 0.256 0.0113 0.58 0.8405 0.9998 1971554 ChemDiv1_002585 Cc1cc2nnc(SCC(=O)NC3(CC4CC5CC(C4)C3)C5)n2c6ccccc16 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 F12 compound treatment 0.279 0.0333 1.64 0.284 0.0393 2.02 2.5912 0.9945 1971555 ChemDiv1_002586 COc1ccc(CCN(/C=C\2/Sc3ccccc3C2=O)C(=O)C)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 F13 compound treatment 0.307 0.0613 3.02 0.291 0.0463 2.38 3.8211 0.9932 1677091 ChemDiv1_002587 Cc1ccccc1C(=O)Nc2nc3ccc(NC(=O)c4ccccc4C)cc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 F14 compound treatment 0.272 0.0263 1.3 0.273 0.0283 1.46 1.947 0.9983 1490596 ChemDiv1_002588 CCOC(=O)c1c(C)n(c2ccc(OCC)cc2)c3ccc(OC(=O)COc4ccccc4)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 F15 compound treatment 0.298 0.0523 2.58 0.294 0.0493 2.54 3.6169 1.0 1394767 ChemDiv1_002589 COc1ccc(cc1)C(=O)COC(=O)c2cccc(c2)N3C(=O)C4CC=CC(C)C4C3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 F16 compound treatment 0.262 0.0163 0.8 0.265 0.0203 1.05 1.3075 0.9914 1971556 ChemDiv1_002590 Brc1ccc(cc1)c2nc3scc(c4ccc(cc4)c5ccccc5)c3c(=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 F17 compound treatment 0.295 0.0493 2.43 0.297 0.0523 2.69 3.6216 0.9987 1784039 ChemDiv1_002591 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4ccc(cc4)[N+](=O)[O-])C(=O)OC5CCCC5)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 F18 compound treatment 0.286 0.0403 1.98 0.294 0.0493 2.54 3.199 0.9926 1331744 ChemDiv1_002592 CCOC(=O)c1c(C)n(Cc2ccccc2)c3ccc(OC(=O)c4ccccc4Cl)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 F19 compound treatment 0.269 0.0233 1.15 0.264 0.0193 0.99 1.5149 0.9975 1142539 ChemDiv1_002593 CCOC(=O)c1c(CC(C#N)(c2ccccc2)c3ccccc3)n(C)c4cc(Br)c(OC)cc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 F20 compound treatment 0.291 0.0453 2.23 0.286 0.0413 2.13 3.0819 0.9997 1346802 ChemDiv1_002594 CCOC(=O)c1c(C)n(c2ccccc2Br)c3c1cc(O)c4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 F21 compound treatment 0.254 0.0083 0.41 0.257 0.0123 0.63 0.7376 0.9774 1717651 ChemDiv1_002595 CCOC(=O)c1c(CN2CCOCC2)n(c3ccccc3)c4cc(Br)c(OC)cc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 F22 compound treatment 0.291 0.0453 2.23 0.284 0.0393 2.02 3.0091 0.9988 1480963 ChemDiv1_002596 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)COc3ccccc3C)c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 F23 mock treatment 0.255 0.0093 0.46 0.249 0.00432 0.22 0.4812 0.945 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 F24 mock treatment 0.251 0.0053 0.26 0.249 0.00432 0.22 0.3419 0.9968 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 G01 compound treatment 0.273 0.0273 1.34 0.263 0.0183 0.94 1.6178 0.985 1727937 ChemDiv1_002597 Cc1nc2cc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCC4)ccc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 G02 compound treatment 0.266 0.0203 1.0 0.266 0.0213 1.1 1.4832 0.9989 1971557 ChemDiv1_002598 COCCOC(=O)C1=C(C)NC2=C(C1c3ccc(O)c(OC)c3)C(=O)CC(C2)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 G03 compound treatment 0.257 0.0113 0.56 0.254 0.00932 0.48 0.7329 0.9973 1971558 ChemDiv1_002599 [O-][N+](=O)c1cccc(/N=C\2/S\C(=C/c3ccccc3)\C(=O)N2CC=C)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 G04 compound treatment 0.292 0.0463 2.28 0.292 0.0473 2.44 3.3351 0.9995 1260418 ChemDiv1_002600 COc1ccc(OC)c(c1)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(Cl)cc4)C(=O)OC(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 G05 compound treatment 0.253 0.0073 0.36 0.253 0.00832 0.43 0.5572 0.9962 1971559 ChemDiv1_002601 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)C4CCCCC4)c5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 G06 compound treatment 0.258 0.0123 0.61 0.265 0.0203 1.05 1.1682 0.9663 1971560 ChemDiv1_002602 CC(=O)Oc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)/N(C2=O)c4ccccc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 G07 compound treatment 0.291 0.0453 2.23 0.284 0.0393 2.02 3.0091 0.9988 1971561 ChemDiv1_002603 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4cccc(C)c4)c5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 G08 compound treatment 0.266 0.0203 1.0 0.262 0.0173 0.89 1.3376 0.9984 1971562 ChemDiv1_002604 COc1ccc(OC)c(N/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 G09 compound treatment 0.26 0.0143 0.7 0.261 0.0163 0.84 1.0922 0.9961 1971563 ChemDiv1_002605 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4cccc(Cl)c4)c5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 G10 compound treatment 0.259 0.0133 0.66 0.259 0.0143 0.74 0.9846 0.9983 1971564 ChemDiv1_002606 [O-][N+](=O)c1ccc2oc(=O)c(cc2c1)c3csc(n3)/C(=C/Nc4cccc(c4)C(F)(F)F)/C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 G11 compound treatment 0.266 0.0203 1.0 0.27 0.0253 1.3 1.6288 0.9914 1971565 ChemDiv1_002607 COCCN(CCOC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nnc(s2)c3ccc(F)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 G12 compound treatment 0.295 0.0493 2.43 0.303 0.0583 3.0 3.8401 0.9945 1971566 ChemDiv1_002608 COc1ccc(cc1OC)C2Oc3ccc(Br)cc3C4CC(=NN42)c5ccc(OC)c(OC)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 G13 compound treatment 0.266 0.0203 1.0 0.258 0.0133 0.69 1.192 0.9831 1971567 ChemDiv1_002609 Cc1ccc2nc(sc2c1)c3ccc(NC(=O)c4sc5ccccc5c4Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 G14 compound treatment 0.258 0.0123 0.61 0.256 0.0113 0.58 0.8405 0.9998 1393899 ChemDiv1_002610 COC(=O)C1=C(C)N=c2sc(=C3C(=O)N(C)c4ccccc34)c(=O)n2C1c5cccs5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 G15 compound treatment 0.285 0.0393 1.94 0.272 0.0273 1.41 2.3633 0.9877 1971568 ChemDiv1_002611 Cc1ccc(/N=C/2\NC(=O)C(Cc3ccccc3)S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 G16 compound treatment 0.328 0.0823 4.05 0.315 0.0703 3.62 5.4262 0.9984 1971569 ChemDiv1_002612 COCCN1C(=O)/C(=C\c2ccc(OC(=O)C3C(C=C(Cl)Cl)C3(C)C)cc2)/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 G17 compound treatment 0.298 0.0523 2.58 0.306 0.0613 3.16 4.0537 0.9949 1971570 ChemDiv1_002613 Fc1ccc(CC2S/C(=N/c3ccccn3)/NC2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 G18 compound treatment 0.259 0.0133 0.66 0.26 0.0153 0.79 1.021 0.9957 1623433 ChemDiv1_002614 COC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC=C)c4ccccc34)c(=O)n2C1c5ccccc5Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 G19 compound treatment 0.261 0.0153 0.75 0.257 0.0123 0.63 0.9814 0.9963 1664683 ChemDiv1_002615 CCOC(=O)c1c(oc2ccc(OC(=O)c3ccc(Br)cc3)cc12)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 G20 compound treatment 0.269 0.0233 1.15 0.27 0.0253 1.3 1.7333 0.998 1416754 ChemDiv1_002616 NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3s2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 G21 compound treatment 0.286 0.0403 1.98 0.284 0.0393 2.02 2.835 1.0 1971571 ChemDiv1_002617 COc1cc(ccc1O)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccccc4)C(=O)OCCOc5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 G22 compound treatment 0.327 0.0813 4.0 0.32 0.0753 3.88 5.5734 0.9999 1971572 ChemDiv1_002618 CCSCCOC(=O)C1=C(C)NC2=C(C1c3ccc4OCOc4c3)C(=O)CC(C2)c5ccc(OC)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 G23 mock treatment 0.251 0.0053 0.26 0.252 0.00732 0.38 0.4511 0.9839 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 G24 mock treatment 0.239 -0.0067 -0.33 0.243 -0.00168 -0.09 -0.2944 -0.8631 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 H01 compound treatment 0.249 0.0033 0.16 0.245 3.23E-4 0.02 0.1267 0.7753 1971573 ChemDiv1_002619 COc1ccc(cc1)C2=NN(C(C2)c3ccc(Br)cc3)C(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 H02 compound treatment 0.273 0.0273 1.34 0.267 0.0223 1.15 1.7634 0.9969 1545258 ChemDiv1_002620 CCOC(=O)c1c(CN2CCN(C)CC2)n(Cc3ccccc3)c4cc(Br)c(O)cc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 H03 compound treatment 0.254 0.0083 0.41 0.253 0.00832 0.43 0.592 0.9997 1864223 ChemDiv1_002621 CCOC(=O)c1c(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc4CCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 H04 compound treatment 0.26 0.0143 0.7 0.258 0.0133 0.69 0.983 0.9999 1926612 ChemDiv1_002622 OC(=O)CCC(=O)N1N=C(CC1c2ccccc2)c3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 H05 compound treatment 0.256 0.0103 0.51 0.256 0.0113 0.58 0.7709 0.9976 1673899 ChemDiv1_002623 Clc1ccc(cc1NC(=O)c2ccc3OCCOc3c2)c4nc5ccccc5o4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 H06 compound treatment 0.329 0.0833 4.1 0.312 0.0673 3.47 5.3518 0.9965 1693203 ChemDiv1_002624 Brc1cc2OCOc2cc1C3Nc4ccccc4NC5=C3C(=O)CC(C5)c6ccccc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 H07 compound treatment 0.262 0.0163 0.8 0.26 0.0153 0.79 1.1255 1.0 1169838 ChemDiv1_002625 O=c1[nH]nc(c2ncc[nH]2)c3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 H08 compound treatment 0.328 0.0823 4.05 0.318 0.0733 3.77 5.5354 0.9994 1971574 ChemDiv1_002626 CCc1nnc(/N=C\2/S\C(=C\c3cccs3)\C(=O)N2CC=C)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 H09 compound treatment 0.257 0.0113 0.56 0.255 0.0103 0.53 0.7693 0.9997 1394655 ChemDiv1_002627 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C#N)C3c4ccc(OC(=O)C)c(OC)c4)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 H10 compound treatment 0.33 0.0843 4.15 0.329 0.0843 4.34 6.0055 0.9998 1492984 ChemDiv1_002628 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3ccccc3OCc4ccccc4)C(=O)OCC5CCCO5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 H11 compound treatment 0.257 0.0113 0.56 0.256 0.0113 0.58 0.8057 0.9997 1971575 ChemDiv1_002629 O=C1N(CCSc2ncnc3sc4CCCCc4c23)C(=O)c5ccccc15 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 H12 compound treatment 0.256 0.0103 0.51 0.256 0.0113 0.58 0.7709 0.9976 1971576 ChemDiv1_002630 Cc1ccc(cc1)c2nc3scc(c4ccc(Br)cc4)c3c(=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 H13 compound treatment 0.264 0.0183 0.9 0.256 0.0113 0.58 1.0495 0.9778 1515652 ChemDiv1_002631 Clc1ccc(cc1)C(=O)Nc2ccccc2c3nc4ccccc4[nH]3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 H14 compound treatment 0.261 0.0153 0.75 0.263 0.0183 0.94 1.1998 0.9938 1971577 ChemDiv1_002632 CCOC(=O)c1cc(CC)sc1N/C=C\2/C(=NN(C2=O)c3ccc(C)cc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 H15 compound treatment 0.26 0.0143 0.7 0.252 0.00732 0.38 0.7646 0.9571 1971578 ChemDiv1_002633 COc1cc(cc(OC)c1OC)C(=O)Oc2ccc(cc2)N(C)C3=NS(=O)(=O)c4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 H16 compound treatment 0.252 0.0063 0.31 0.261 0.0163 0.84 0.8136 0.9083 1971579 ChemDiv1_002634 CC(C)(C)c1ccc(cc1)c2nc3sc4CCCCc4c3c(=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 H17 compound treatment 0.3 0.0543 2.67 0.296 0.0513 2.64 3.7594 1.0 1971580 ChemDiv1_002635 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4cccc(O)c4)C(=O)OCCOc5ccccc5)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 H18 compound treatment 0.293 0.0473 2.33 0.29 0.0453 2.33 3.2972 1.0 1383441 ChemDiv1_002636 CCOC(=O)c1c(C)n(Cc2ccccc2)c3ccc(OC(=O)c4cccc(Br)c4)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 H19 compound treatment 0.277 0.0313 1.54 0.271 0.0263 1.36 2.0483 0.9979 1568619 ChemDiv1_002637 CCOC(=O)c1c(CS(=O)(=O)c2ccccc2)n(C)c3cc(Br)c(O)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 H20 compound treatment 0.254 0.0083 0.41 0.255 0.0103 0.53 0.6648 0.9916 1504243 ChemDiv1_002638 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c3ccc(Br)cc3)c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 H21 compound treatment 0.271 0.0253 1.25 0.271 0.0263 1.36 1.8393 0.9991 1223068 ChemDiv1_002639 CCOC(=O)c1c(CNCc2ccccc2)n(c3ccccc3)c4cc(Br)c(OC)cc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 H22 compound treatment 0.252 0.0063 0.31 0.252 0.00732 0.38 0.486 0.9953 1477206 ChemDiv1_002640 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c3cccc(Cl)c3)c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 H23 mock treatment 0.253 0.0073 0.36 0.256 0.0113 0.58 0.6664 0.973 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 H24 mock treatment 0.253 0.0073 0.36 0.243 -0.00168 -0.09 0.1932 0.5224 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 I01 compound treatment 0.25 0.0043 0.21 0.245 3.23E-4 0.02 0.1615 0.7602 1140356 ChemDiv1_002641 CN(c1ccccc1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3ccc4sc(C)nc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 I02 compound treatment 0.292 0.0463 2.28 0.285 0.0403 2.08 3.0803 0.9989 1971581 ChemDiv1_002642 CCSCCOC(=O)C1=C(C)NC2=C(C1c3ccc(OC(=O)C)c(OC)c3)C(=O)CC(C2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 I03 compound treatment 0.256 0.0103 0.51 0.255 0.0103 0.53 0.7345 0.9997 1179331 ChemDiv1_002643 CC1(C)CC(=O)c2sc(NC(=O)C3CC3)nc2C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 I04 compound treatment 0.255 0.0093 0.46 0.253 0.00832 0.43 0.6269 0.9994 1204576 ChemDiv1_002644 CCOC(=O)c1ccc(cc1)c2ccc(C=c3sc4nc5ccccc5n4c3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 I05 compound treatment 0.309 0.0633 3.12 0.297 0.0523 2.69 4.1092 0.9973 1495642 ChemDiv1_002645 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)CC)c4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 I06 compound treatment 0.29 0.0443 2.18 0.281 0.0363 1.87 2.8651 0.997 1971582 ChemDiv1_002646 Cc1ccc(N2C(SCC2=O)c3ccc(cc3)[N+](=O)[O-])c(Br)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 I07 compound treatment 0.256 0.0103 0.51 0.26 0.0153 0.79 0.9165 0.9772 1971583 ChemDiv1_002647 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4ccc(C)cc4)c5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 I08 compound treatment 0.263 0.0173 0.85 0.263 0.0183 0.94 1.2695 0.9987 1971584 ChemDiv1_002648 COc1ccc(OC)c(N/C=C(\C#N)/c2nc(cs2)c3cc4cc(ccc4oc3=O)[N+](=O)[O-])c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 I09 compound treatment 0.264 0.0183 0.9 0.257 0.0123 0.63 1.0859 0.9852 1971585 ChemDiv1_002649 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4ccc(Cl)cc4)c5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 I10 compound treatment 0.259 0.0133 0.66 0.26 0.0153 0.79 1.021 0.9957 1971586 ChemDiv1_002650 Fc1ccccc1N/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 I11 compound treatment 0.283 0.0373 1.84 0.285 0.0403 2.08 2.7669 0.9981 1971587 ChemDiv1_002651 COCCN(CCOC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nnc(s2)c3cccc(c3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 I12 compound treatment 0.273 0.0273 1.34 0.279 0.0343 1.77 2.2002 0.9909 1971588 ChemDiv1_002652 COc1ccc(cc1OC)C2Oc3ccc(Br)cc3C4CC(=NN42)c5cccs5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 I13 compound treatment 0.322 0.0763 3.76 0.329 0.0843 4.34 5.7268 0.9974 1457375 ChemDiv1_002653 Clc1c(sc2ccccc12)C(=O)Nc3ncc(s3)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 I14 compound treatment 0.257 0.0113 0.56 0.258 0.0133 0.69 0.8785 0.9946 1484447 ChemDiv1_002654 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC=C)c4ccccc34)c(=O)n2C1c5ccc(OC)c(OC)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 I15 compound treatment 0.272 0.0263 1.3 0.278 0.0333 1.72 2.129 0.9904 1971589 ChemDiv1_002655 Brc1ccc(/N=C/2\NC(=O)C(Cc3ccccc3)S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 I16 compound treatment 0.253 0.0073 0.36 0.26 0.0153 0.79 0.812 0.9367 1132448 ChemDiv1_002656 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC=C)c4ccccc34)c(=O)n2C1c5ccccc5Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 I17 compound treatment 0.31 0.0643 3.17 0.303 0.0583 3.0 4.3625 0.9996 1971590 ChemDiv1_002657 FC(F)(F)c1cccc(CC2S/C(=N/c3ccccn3)/NC2=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 I18 compound treatment 0.264 0.0183 0.9 0.26 0.0153 0.79 1.1951 0.9978 1614584 ChemDiv1_002658 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC=C)c4ccccc34)c(=O)n2C1c5ccc(Cl)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 I19 compound treatment 0.257 0.0113 0.56 0.259 0.0143 0.74 0.9149 0.9904 1921128 ChemDiv1_002659 Cn1cnc([N+](=O)[O-])c1Sc2ncnc3nc[nH]c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 I20 compound treatment 0.343 0.0973 4.79 0.332 0.0873 4.5 6.5674 0.9995 1166776 ChemDiv1_002660 Cc1cccc(Nc2nc3nonc3nc2Nc4cccc(C)c4)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 I21 compound treatment 0.297 0.0513 2.53 0.293 0.0483 2.49 3.5457 1.0 1971591 ChemDiv1_002661 CC(=O)Oc1ccc(cc1)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccccc4)C(=O)OCCOc5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 I22 compound treatment 0.274 0.0283 1.39 0.265 0.0203 1.05 1.7254 0.99 1728073 ChemDiv1_002662 CC1=C(C(NC(=O)N1)c2ccc(OCc3ccccc3)cc2)C(=O)OCC4CCCO4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 I23 mock treatment 0.257 0.0113 0.56 0.254 0.00932 0.48 0.7329 0.9973 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 I24 mock treatment 0.258 0.0123 0.61 0.245 3.23E-4 0.02 0.4401 0.7262 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 J01 compound treatment 0.245 -7.0E-4 -0.03 0.247 0.00232 0.12 0.0602 0.4835 1971592 ChemDiv1_002663 FC(F)Sc1ccc(cc1)C(=O)CSc2nnc(Cc3ccccc3)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 J02 compound treatment 0.244 -0.0017 -0.08 0.246 0.00132 0.07 -0.0111 -0.1025 1277229 ChemDiv1_002664 CCOC(=O)c1c(CN2CCN(CC2)c3ccccc3C)n(C4CCCCC4)c5cc(Br)c(O)cc15 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 J03 compound treatment 0.25 0.0043 0.21 0.247 0.00232 0.12 0.2343 0.9634 1971593 ChemDiv1_002665 CCOC(=O)c1c(C)c(sc1NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 J04 compound treatment 0.252 0.0063 0.31 0.25 0.00532 0.27 0.4132 0.9981 1971594 ChemDiv1_002666 COc1ccccc1NC(=O)CCC(=O)N2N=C(CC2c3ccccc3)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 J05 compound treatment 0.307 0.0613 3.02 0.299 0.0543 2.8 4.1124 0.9993 1931081 ChemDiv1_002667 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccc(cc5)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 J06 compound treatment 0.256 0.0103 0.51 0.259 0.0143 0.74 0.8801 0.9833 1971595 ChemDiv1_002668 COc1nnc(OC)c2ccccc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 J07 compound treatment 0.279 0.0333 1.64 0.265 0.0203 1.05 1.8995 0.9764 1971596 ChemDiv1_002669 CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(c2)N3C(=O)C4C5CC(C=C5)C4C3=O)c(c1)C(C)(C)CC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 J08 compound treatment 0.255 0.0093 0.46 0.256 0.0113 0.58 0.7361 0.9929 1971597 ChemDiv1_002670 CCCCOc1ncnc2ncn(CCCl)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 J09 compound treatment 0.288 0.0423 2.08 0.293 0.0483 2.49 3.2322 0.9961 1213381 ChemDiv1_002671 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4cc5OCOc5cc4Cl)C(=O)OCC=C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 J10 compound treatment 0.311 0.0653 3.22 0.317 0.0723 3.72 4.9069 0.9973 1214917 ChemDiv1_002672 CC1=C(C(NC(=O)N1)c2cccc(Oc3ccccc3)c2)C(=O)OCc4ccc5OCOc5c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 J11 compound treatment 0.255 0.0093 0.46 0.257 0.0123 0.63 0.7725 0.9872 1711906 ChemDiv1_002673 Fc1ccc(cc1)c2csc3[nH]c(=S)n(c4ccccc4)c(=O)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 J12 compound treatment 0.261 0.0153 0.75 0.269 0.0243 1.25 1.4183 0.9705 1971598 ChemDiv1_002674 Cc1sc2nc(oc(=O)c2c1C)c3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 J13 compound treatment 0.26 0.0143 0.7 0.26 0.0153 0.79 1.0558 0.9984 1577136 ChemDiv1_002675 Fc1ccc(cc1)C(=O)Nc2ccccc2c3nc4ccccc4[nH]3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 J14 compound treatment 0.685 0.439 21.64 0.641 0.396 20.4 29.7266 0.9996 1971599 ChemDiv1_002676 O=C1/C(=C/NC2CCCCCC2)/Sc3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 J15 compound treatment 0.297 0.0513 2.53 0.301 0.0563 2.9 3.8369 0.9976 1730382 ChemDiv1_002677 COc1ccc(C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc(Cl)cc5)c(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 J16 compound treatment 0.273 0.0273 1.34 0.269 0.0243 1.25 1.8362 0.9994 1944067 ChemDiv1_002678 Cc1sc2nc(oc(=O)c2c1C)c3ccc(cc3)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 J17 compound treatment 0.269 0.0233 1.15 0.264 0.0193 0.99 1.5149 0.9975 1626938 ChemDiv1_002679 COc1cc(ccc1OC(=O)C)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(Cl)cc4)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 J18 compound treatment 0.265 0.0193 0.95 0.263 0.0183 0.94 1.3391 1.0 1971600 ChemDiv1_002680 CCc1cc2c(=O)oc(nc2s1)c3ccc(F)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 J19 compound treatment 0.266 0.0203 1.0 0.262 0.0173 0.89 1.3376 0.9984 1450925 ChemDiv1_002681 Nc1c(oc2ccc(Cl)cc12)C(=O)CCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 J20 compound treatment 0.256 0.0103 0.51 0.255 0.0103 0.53 0.7345 0.9997 1971601 ChemDiv1_002682 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c3ccc(cc3)C(C)(C)C)c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 J21 compound treatment 0.273 0.0273 1.34 0.275 0.0303 1.56 2.0546 0.9972 1971602 ChemDiv1_002683 CCOC(=O)c1c(CNCCN(CC)CC)n(C)c2cc(Br)c(OC)cc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 J22 compound treatment 0.267 0.0213 1.05 0.267 0.0223 1.15 1.5544 0.999 1347275 ChemDiv1_002684 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c3ccccc3Cl)c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 J23 mock treatment 0.245 -7.0E-4 -0.03 0.245 3.23E-4 0.02 -0.0126 -0.3302 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 J24 mock treatment 0.255 0.0093 0.46 0.244 -6.77E-4 -0.03 0.2992 0.6514 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 K01 compound treatment 0.249 0.0033 0.16 0.247 0.00232 0.12 0.1995 0.9886 1971603 ChemDiv1_002685 CN(c1ccccc1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc4ccc(cc4s3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 K02 compound treatment 0.248 0.0023 0.11 0.251 0.00632 0.33 0.3103 0.9002 1586376 ChemDiv1_002686 COc1cccc(C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(Cl)cc4)C(=O)OC(C)C)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 K03 compound treatment 0.259 0.0133 0.66 0.259 0.0143 0.74 0.9846 0.9983 1177106 ChemDiv1_002687 COc1cccc2sc(NC(=O)c3ccccc3NS(=O)(=O)c4ccc(C)cc4)nc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 K04 compound treatment 0.256 0.0103 0.51 0.257 0.0123 0.63 0.8073 0.9939 1721376 ChemDiv1_002688 CCOc1cc(C=c2sc3nc4ccccc4n3c2=O)ccc1OCc5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 K05 compound treatment 0.319 0.0733 3.61 0.297 0.0523 2.69 4.4575 0.9896 1421029 ChemDiv1_002689 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)C(C)C)c4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 K06 compound treatment 0.256 0.0103 0.51 0.255 0.0103 0.53 0.7345 0.9997 1971604 ChemDiv1_002690 FC(F)Oc1ccc(cc1)C2SCC(=O)N2c3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 K07 compound treatment 0.263 0.0173 0.85 0.27 0.0253 1.3 1.5243 0.9788 1971605 ChemDiv1_002691 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4ccccc4OC)c5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 K08 compound treatment 0.265 0.0193 0.95 0.269 0.0243 1.25 1.5576 0.9908 1971606 ChemDiv1_002692 Fc1ccc(N/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 K09 compound treatment 0.258 0.0123 0.61 0.257 0.0123 0.63 0.8769 0.9997 1971607 ChemDiv1_002693 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4ccc(cc4)[N+](=O)[O-])c5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 K10 compound treatment 0.307 0.0613 3.02 0.304 0.0593 3.05 4.2944 1.0 1205640 ChemDiv1_002694 COc1ccc(cc1)C2=NN3C(C2)c4cc(Cl)ccc4OC53CCCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 K11 compound treatment 0.259 0.0133 0.66 0.257 0.0123 0.63 0.9118 0.9999 1971608 ChemDiv1_002695 CCOc1cc(cc(OCC)c1OCC)C(=O)Nc2nnc(s2)c3cccc(c3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 K12 compound treatment 0.253 0.0073 0.36 0.254 0.00932 0.48 0.5936 0.9899 1915253 ChemDiv1_002696 CCOC(=O)C1=C(C)C2C3C(C(=O)N(C3=O)c4ccccc4[N+](=O)[O-])C1(C)C5C2C(=O)N(C5=O)c6ccccc6[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 K13 compound treatment 0.323 0.0773 3.81 0.321 0.0763 3.93 5.4705 0.9999 1971609 ChemDiv1_002697 Clc1c(sc2ccccc12)C(=O)Nc3nc(cs3)c4ccc(I)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 K14 compound treatment 0.258 0.0123 0.61 0.26 0.0153 0.79 0.9862 0.9915 1606703 ChemDiv1_002698 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(OC(=O)C)c3)c(=O)n2C1c4ccccc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 K15 compound treatment 0.279 0.0333 1.64 0.269 0.0243 1.25 2.0451 0.9911 1971610 ChemDiv1_002699 Cc1ccc(/N=C/2\NC(=O)C(Cc3ccccc3Cl)S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 K16 compound treatment 0.266 0.0203 1.0 0.273 0.0283 1.46 1.738 0.9831 1276795 ChemDiv1_002700 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC(=O)N)c4ccccc34)c(=O)n2C1c5ccccc5Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 K17 compound treatment 0.315 0.0693 3.41 0.303 0.0583 3.0 4.5366 0.998 1971611 ChemDiv1_002701 FC(F)(F)c1cccc(Cc2cnc(NC(=O)c3sc4ccccc4c3Cl)s2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 K18 compound treatment 0.292 0.0463 2.28 0.299 0.0543 2.8 3.59 0.9949 1944029 ChemDiv1_002702 COCCOC(=O)C1=C(C)NC(=C(C1c2cn(nc2c3cccc(c3)[N+](=O)[O-])c4ccccc4)C(=O)OCCOC)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 K19 compound treatment 0.249 0.0033 0.16 0.245 3.23E-4 0.02 0.1267 0.7753 1971612 ChemDiv1_002703 CC(C)OCCOC(=O)C1=C(C)NC(=O)NC1c2ccccc2OCc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 K20 compound treatment 0.278 0.0323 1.59 0.277 0.0323 1.66 2.3015 0.9997 1710045 ChemDiv1_002704 CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)c4ccc(Cl)cc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 K21 compound treatment 0.316 0.0703 3.46 0.315 0.0703 3.62 5.0082 0.9998 1971613 ChemDiv1_002705 CCSCCOC(=O)C1=C(C)NC2=C(C1c3ccc4OCOc4c3)C(=O)CC(C2)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 K22 compound treatment 0.29 0.0443 2.18 0.292 0.0473 2.44 3.2655 0.9985 1971614 ChemDiv1_002706 CC1=C(C(NC(=O)N1)c2ccc(OCc3ccccc3)cc2)C(=O)OCC(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 K23 mock treatment 0.254 0.0083 0.41 0.253 0.00832 0.43 0.592 0.9997 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 K24 mock treatment 0.255 0.0093 0.46 0.245 3.23E-4 0.02 0.3356 0.7323 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 L01 compound treatment 0.244 -0.0017 -0.08 0.25 0.00532 0.27 0.1345 0.4696 1928857 ChemDiv1_002707 CC(Sc1nnc(o1)c2cccnc2)C(=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 L02 compound treatment 0.254 0.0083 0.41 0.253 0.00832 0.43 0.592 0.9997 1708155 ChemDiv1_002708 CCOC(=O)c1c(CN2CCOCC2)n(c3ccccc3)c4cc(Br)c(O)c(CN(C)C)c14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 L03 compound treatment 0.258 0.0123 0.61 0.26 0.0153 0.79 0.9862 0.9915 1782798 ChemDiv1_002709 NC(=O)c1c(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc4CCCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 L04 compound treatment 0.258 0.0123 0.61 0.257 0.0123 0.63 0.8769 0.9997 1230508 ChemDiv1_002710 O=C(CSc1nc2ccccc2o1)Nc3cccc4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 L05 compound treatment 0.361 0.115 5.68 0.333 0.0883 4.55 7.2307 0.9939 1173092 ChemDiv1_002711 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cccc(Br)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 L06 compound treatment 0.261 0.0153 0.75 0.262 0.0173 0.89 1.1634 0.9965 1346691 ChemDiv1_002712 O(c1ccccc1)c2nnc(Oc3ccccc3)c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 L07 compound treatment 0.278 0.0323 1.59 0.275 0.0303 1.56 2.2287 1.0 1971615 ChemDiv1_002713 O=C1C2C3CC(C=C3)C2C(=O)N1c4ccc(cc4)c5nc6ccc(cc6[nH]5)N7C(=O)C8C9CC(C=C9)C8C7=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 L08 compound treatment 0.262 0.0163 0.8 0.261 0.0163 0.84 1.1619 0.9997 1487319 ChemDiv1_002714 Nc1ncnc2n(C3OC(CO)C(O)C3O)c(nc12)N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 L09 compound treatment 0.264 0.0183 0.9 0.262 0.0173 0.89 1.2679 1.0 1928124 ChemDiv1_002715 COc1ccc(/C=C\2/SC(=S)N(CCC(=O)N3CCN(CC3)C4=NC(=O)/C(=C\c5ccc(C)cc5)/S4)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 L10 compound treatment 0.249 0.0033 0.16 0.252 0.00732 0.38 0.3815 0.9293 1476245 ChemDiv1_002716 COc1cc(ccc1OCc2ccccc2)C3NC(=O)NC(=C3C(=O)OCC4CCCO4)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 L11 compound treatment 0.275 0.0293 1.44 0.285 0.0403 2.08 2.4883 0.9842 1364558 ChemDiv1_002717 NS(=O)(=O)c1ccc(NC(=O)CSc2nc3sc4CCCCc4c3c(=O)n2CC=C)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 L12 compound treatment 0.293 0.0473 2.33 0.294 0.0493 2.54 3.4428 0.9991 1971616 ChemDiv1_002718 Cc1sc2nc(oc(=O)c2c1C)c3ccco3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 L13 compound treatment 0.271 0.0253 1.25 0.266 0.0213 1.1 1.6573 0.998 1633829 ChemDiv1_002719 COc1cccc(c1)C(=O)Nc2ccccc2c3nc4ccccc4[nH]3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 L14 compound treatment 0.255 0.0093 0.46 0.255 0.0103 0.53 0.6997 0.9973 1971617 ChemDiv1_002720 Cc1ccc(cc1)S(=O)(=O)N(/C=C/2\Sc3ccccc3C2=O)c4ccc(cc4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 L15 compound treatment 0.302 0.0563 2.77 0.3 0.0553 2.85 3.9746 0.9999 1235159 ChemDiv1_002721 COC(=O)C1=C(C)NC2=C(C1c3cc(Br)c(O)c(OC)c3)C(=O)CC(C2)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 L16 compound treatment 0.285 0.0393 1.94 0.295 0.0503 2.59 3.2006 0.9897 1971618 ChemDiv1_002722 CC(C)(C)c1ccc(cc1)c2nc3scc(c4cccs4)c3c(=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 L17 compound treatment 0.28 0.0343 1.69 0.279 0.0343 1.77 2.444 0.9997 1971619 ChemDiv1_002723 COc1ccc(NC(=O)CSc2nc3CCCCCc3cc2C#N)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 L18 compound treatment 0.271 0.0253 1.25 0.267 0.0223 1.15 1.6937 0.9992 1352344 ChemDiv1_002724 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c3ccc(F)cc3)c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 L19 compound treatment 0.284 0.0383 1.89 0.275 0.0303 1.56 2.4377 0.9956 1548700 ChemDiv1_002725 COC(=O)CCC(=O)c1oc2ccc(Cl)cc2c1N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 L20 compound treatment 0.268 0.0223 1.1 0.265 0.0203 1.05 1.5164 0.9997 1407038 ChemDiv1_002726 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c3ccccc3OC)c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 L21 compound treatment 0.254 0.0083 0.41 0.259 0.0143 0.74 0.8104 0.9613 1732558 ChemDiv1_002727 COC(=O)CCC(=O)c1oc2ccccc2c1N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 L22 compound treatment 0.257 0.0113 0.56 0.258 0.0133 0.69 0.8785 0.9946 1219593 ChemDiv1_002728 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c3ccc(C)cc3)c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 L23 mock treatment 0.25 0.0043 0.21 0.255 0.0103 0.53 0.5255 0.9186 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 L24 mock treatment 0.252 0.0063 0.31 0.248 0.00332 0.17 0.3404 0.9606 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 M01 compound treatment 0.24 -0.0057 -0.28 0.242 -0.00268 -0.14 -0.296 -0.9464 1943116 ChemDiv1_002729 COc1ccc(cc1)S(=O)(=O)N2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 M02 compound treatment 0.248 0.0023 0.11 0.247 0.00232 0.12 0.1646 0.9996 1235030 ChemDiv1_002730 CCOc1cc(ccc1OC(=O)C)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccccc4)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 M03 compound treatment 0.252 0.0063 0.31 0.254 0.00932 0.48 0.5588 0.9777 1971620 ChemDiv1_002731 COc1cc(cc2sc(NC(=O)c3ccccc3NS(=O)(=O)c4ccc(C)cc4)nc12)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 M04 compound treatment 0.254 0.0083 0.41 0.254 0.00932 0.48 0.6284 0.9968 1971621 ChemDiv1_002732 Cc1ccc(c2ccc(C=c3sc4nc5ccccc5n4c3=O)o2)c(Br)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 M05 compound treatment 0.253 0.0073 0.36 0.256 0.0113 0.58 0.6664 0.973 1293571 ChemDiv1_002733 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)C(C)(C)C)c4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 M06 compound treatment 0.313 0.0673 3.31 0.307 0.0623 3.21 4.6125 0.9999 1971622 ChemDiv1_002734 [O-][N+](=O)c1cc2OCOc2cc1C3SCC(=O)N3c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 M07 compound treatment 0.3 0.0543 2.67 0.281 0.0363 1.87 3.2133 0.9847 1971623 ChemDiv1_002735 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4cccc(OC)c4)c5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 M08 compound treatment 0.259 0.0133 0.66 0.263 0.0183 0.94 1.1302 0.9841 1971624 ChemDiv1_002736 COc1cc(N/C=C(\C#N)/c2nc(cs2)c3cc4ccccc4oc3=O)c(OC)cc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 M09 compound treatment 0.28 0.0343 1.69 0.275 0.0303 1.56 2.2984 0.9992 1971625 ChemDiv1_002737 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4cccc(c4)[N+](=O)[O-])c5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 M10 compound treatment 0.274 0.0283 1.39 0.268 0.0233 1.2 1.8346 0.9972 1470599 ChemDiv1_002738 COc1ccc(cc1OC)C2=NN3C(C2)c4ccccc4OC3c5ccc(Cl)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 M11 compound treatment 0.281 0.0353 1.74 0.263 0.0183 0.94 1.8964 0.9587 1290240 ChemDiv1_002739 CCCC(=O)Oc1cc2c(C(=O)OCC)c(C)n(c3ccccc3)c2c4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 M12 compound treatment 0.278 0.0323 1.59 0.276 0.0313 1.61 2.2651 1.0 1121121 ChemDiv1_002740 CCN(CC)S(=O)(=O)c1cc(ccc1Br)C(=O)Oc2cccc3cccnc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 M13 compound treatment 0.276 0.0303 1.49 0.279 0.0343 1.77 2.3047 0.9965 1589578 ChemDiv1_002741 CCOC(=O)c1sc(NC(=O)c2sc3ccccc3c2Cl)nc1c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 M14 compound treatment 0.279 0.0333 1.64 0.286 0.0413 2.13 2.664 0.9917 1944027 ChemDiv1_002742 O=C/1N(C2CCS(=O)(=O)C2)C(=S)S\C1=C/c3cn(nc3c4cccs4)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 M15 compound treatment 0.273 0.0273 1.34 0.27 0.0253 1.3 1.8726 0.9999 1971626 ChemDiv1_002743 Cc1ccccc1CC2S/C(=N/c3ccccc3)/NC2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 M16 compound treatment 0.3 0.0543 2.67 0.295 0.0503 2.59 3.723 0.9999 1943905 ChemDiv1_002744 CN1CCN(CC1)c2nc3ccccn3c(=O)c2/C=C/4\SC(=S)N(CCc5ccccc5)C4=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 M17 compound treatment 0.265 0.0193 0.95 0.267 0.0223 1.15 1.4848 0.9956 1971627 ChemDiv1_002745 CC(=O)N1N=C(CC1c2ccco2)c3c(c4ccccc4)c5cc(Br)ccc5[nH]c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 M18 compound treatment 0.296 0.0503 2.48 0.303 0.0583 3.0 3.8749 0.9954 1971628 ChemDiv1_002746 COCCOC(=O)C1=C(C)NC(=C(C1c2cn(nc2c3ccc(cc3)[N+](=O)[O-])c4ccccc4)C(=O)OCCOC)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 M19 compound treatment 0.286 0.0403 1.98 0.28 0.0353 1.82 2.6894 0.999 1971629 ChemDiv1_002747 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cc(OC)ccc3OC)C(=O)CC(C2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 M20 compound treatment 0.28 0.0343 1.69 0.276 0.0313 1.61 2.3348 0.9997 1621837 ChemDiv1_002748 CCOc1ccc(cc1OC)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(OC)cc4)C(=O)OCC=C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 M21 compound treatment 0.283 0.0373 1.84 0.29 0.0453 2.33 2.9489 0.993 1971630 ChemDiv1_002749 CCC(C)OC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3[N+](=O)[O-])C(=O)CC(C2)c5ccc(OC)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 M22 compound treatment 0.258 0.0123 0.61 0.255 0.0103 0.53 0.8041 0.9979 1152730 ChemDiv1_002750 CC1=C(C(NC(=O)N1)c2cccc(OCc3ccccc3)c2)C(=O)OCC4CCCO4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 M23 mock treatment 0.252 0.0063 0.31 0.25 0.00532 0.27 0.4132 0.9981 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 M24 mock treatment 0.241 -0.0047 -0.23 0.248 0.00332 0.17 -0.0427 -0.1485 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 N01 compound treatment 0.254 0.0083 0.41 0.249 0.00432 0.22 0.4464 0.9591 1971631 ChemDiv1_002751 C/N=C/1\SC(CC(=O)Nc2ccccc2F)C(=O)N1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 N02 compound treatment 0.25 0.0043 0.21 0.248 0.00332 0.17 0.2707 0.9944 1167964 ChemDiv1_002752 CCOC(=O)c1c(CN2CCN(CC2)c3ccccc3C)n(c4ccccc4)c5cc(Br)c(OC(=O)C)cc15 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 N03 compound treatment 0.253 0.0073 0.36 0.253 0.00832 0.43 0.5572 0.9962 1782803 ChemDiv1_002753 [O-][N+](=O)c1cccc2C(=O)N(CCC(=O)NCC3CCCO3)C(=O)c21 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 N04 compound treatment 0.259 0.0133 0.66 0.255 0.0103 0.53 0.839 0.9946 1574377 ChemDiv1_002754 O=C(CSc1nc2ccccc2s1)OCC(=O)N3c4ccccc4Sc5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 N05 compound treatment 0.249 0.0033 0.16 0.256 0.0113 0.58 0.5271 0.871 1945925 ChemDiv1_002755 CCOC(=O)c1c(C)c(sc1NC(=O)c2cccc(Cl)c2)C(=O)Nc3cccc(c3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 N06 compound treatment 0.323 0.0773 3.81 0.32 0.0753 3.88 5.4341 1.0 1334781 ChemDiv1_002756 Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1C(=O)Nc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 N07 compound treatment 0.266 0.0203 1.0 0.265 0.0203 1.05 1.4468 0.9997 1944155 ChemDiv1_002757 CC1CCc2c(C#N)c(NC(=O)CSc3nncn3C)sc2C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 N08 compound treatment 0.25 0.0043 0.21 0.253 0.00832 0.43 0.4527 0.9472 1971632 ChemDiv1_002758 CCCCOc1ncnc2n(CCCl)cnc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 N09 compound treatment 0.253 0.0073 0.36 0.258 0.0133 0.69 0.7392 0.9546 1971633 ChemDiv1_002759 Cc1ccc(C)c(NC(=O)CSc2nnc3cc(C)c4ccccc4n23)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 N10 compound treatment 0.268 0.0223 1.1 0.267 0.0223 1.15 1.5892 0.9997 1971634 ChemDiv1_002760 Cc1ccccc1C2C(=C(Oc3ccccc23)c4ccccc4)C=c5sc6nc7ccccc7n6c5=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 N11 compound treatment 0.252 0.0063 0.31 0.253 0.00832 0.43 0.5224 0.9874 1971635 ChemDiv1_002761 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2cccc3C(=O)c4ccccc4C(=O)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 N12 compound treatment 0.318 0.0723 3.56 0.313 0.0683 3.52 5.0051 1.0 1971636 ChemDiv1_002762 CC(=O)N(/C=C/1\Sc2ccccc2C1=O)c3cc(ccc3Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 N13 compound treatment 0.292 0.0463 2.28 0.303 0.0583 3.0 3.7356 0.9908 1971637 ChemDiv1_002763 [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2ccccc2c3nc4ccccc4[nH]3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 N14 compound treatment 0.268 0.0223 1.1 0.28 0.0353 1.82 2.0625 0.9709 1971638 ChemDiv1_002764 Clc1ccc(cc1)N(/C=C/2\Sc3ccccc3C2=O)C(=O)c4cccc(Cl)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 N15 compound treatment 0.292 0.0463 2.28 0.28 0.0353 1.82 2.8983 0.9937 1784038 ChemDiv1_002765 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4ccc5OCOc5c4)C(=O)OC6CCCC6)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 N16 compound treatment 0.267 0.0213 1.05 0.275 0.0303 1.56 1.8456 0.9813 1971639 ChemDiv1_002766 Fc1ccccc1c2nc3sc4CCCCc4c3c(=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 N17 compound treatment 0.273 0.0273 1.34 0.272 0.0273 1.41 1.9454 0.9997 1971640 ChemDiv1_002767 CN(C)c1ccc(/C=C\2/C(=O)N(C(c3ccccc3)S2(=O)=O)c4ccc(C)cc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 N18 compound treatment 0.263 0.0173 0.85 0.272 0.0273 1.41 1.5971 0.9712 1473052 ChemDiv1_002768 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c3ccccc3Br)c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 N19 compound treatment 0.254 0.0083 0.41 0.254 0.00932 0.48 0.6284 0.9968 1390878 ChemDiv1_002769 COC(=O)c1oc2ccccc2c1N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 N20 compound treatment 0.255 0.0093 0.46 0.257 0.0123 0.63 0.7725 0.9872 1680541 ChemDiv1_002770 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c3ccc(OC)cc3)c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 N21 compound treatment 0.281 0.0353 1.74 0.281 0.0363 1.87 2.5516 0.9993 1485591 ChemDiv1_002771 Nc1c(oc2ccccc12)C(=O)c3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 N22 compound treatment 0.247 0.0013 0.06 0.25 0.00532 0.27 0.239 0.8495 1368959 ChemDiv1_002772 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c3ccccc3F)c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 N23 mock treatment 0.253 0.0073 0.36 0.253 0.00832 0.43 0.5572 0.9962 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 N24 mock treatment 0.252 0.0063 0.31 0.247 0.00232 0.12 0.304 0.9141 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 O01 compound treatment 0.227 -0.0187 -0.92 0.244 -6.77E-4 -0.03 -0.6759 -0.7334 1971641 ChemDiv1_002773 O=C1N(CCN2CCN(CC2)S(=O)(=O)c3cccs3)C(=O)c4cccc5cccc1c45 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 O02 compound treatment 0.262 0.0163 0.8 0.247 0.00232 0.12 0.6522 0.8036 1971642 ChemDiv1_002774 CCCOc1ccc(cc1OC)C2NC(=O)NC(=C2C(=O)OCCOc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 O03 compound treatment 0.27 0.0243 1.2 0.247 0.00232 0.12 0.9308 0.7739 1971643 ChemDiv1_002775 COCCN(CCOC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nnc(s2)C3(CC4CC5CC(C4)C3)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 O04 compound treatment 0.343 0.0973 4.79 0.324 0.0793 4.08 6.2762 0.9968 1927494 ChemDiv1_002776 OC(=O)CN1C(=O)/C(=C/2\SC(=S)N(C(Cc3ccccc3)C(=O)O)C2=O)/c4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 O05 compound treatment 0.255 0.0093 0.46 0.259 0.0143 0.74 0.8453 0.9738 1484090 ChemDiv1_002777 CCCCC(=O)Oc1cc2c(C(=O)OCC)c(C)n(c3ccccc3)c2c4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 O06 compound treatment 0.276 0.0303 1.49 0.274 0.0293 1.51 2.1227 1.0 1971644 ChemDiv1_002778 CCOCCOC(=O)C1=C(C)NC2=C(C1c3ccc(cc3)N(CC)CC)C(=O)CC(C2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 O07 compound treatment 0.246 3.0E-4 0.01 0.242 -0.00268 -0.14 -0.087 -0.6277 1971645 ChemDiv1_002779 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4ccc(OC)cc4)c5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 O08 compound treatment 0.259 0.0133 0.66 0.257 0.0123 0.63 0.9118 0.9999 1971646 ChemDiv1_002780 COc1cc(N/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O)c(OC)cc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 O09 compound treatment 0.299 0.0533 2.63 0.294 0.0493 2.54 3.6517 0.9999 1971647 ChemDiv1_002781 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4cccc(F)c4)c5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 O10 compound treatment 0.275 0.0293 1.44 0.284 0.0393 2.02 2.4519 0.9862 1971648 ChemDiv1_002782 COc1ccc(cc1OC)C2Oc3ccccc3C4CC(=NN42)c5ccc(OC)c(OC)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 O11 compound treatment 0.286 0.0403 1.98 0.302 0.0573 2.95 3.4902 0.9814 1485797 ChemDiv1_002783 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)COc4ccccc4)c5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 O12 compound treatment 0.307 0.0613 3.02 0.312 0.0673 3.47 4.5856 0.9976 1668711 ChemDiv1_002784 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC(=O)N)c4ccccc34)c(=O)n2C1c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 O13 compound treatment 0.3 0.0543 2.67 0.326 0.0813 4.19 4.8514 0.9766 1146346 ChemDiv1_002785 Clc1c(sc2ccccc12)C(=O)Nc3nc(cs3)c4ccc(Oc5ccccc5)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 O14 compound treatment 0.312 0.0663 3.27 0.317 0.0723 3.72 4.9417 0.9979 1219371 ChemDiv1_002786 COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2C1c4ccc(OC(=O)C)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 O15 compound treatment 0.284 0.0383 1.89 0.287 0.0423 2.18 2.8745 0.9974 1971649 ChemDiv1_002787 Clc1cccc(CC2S/C(=N\c3ccccc3)/NC2=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 O16 compound treatment 0.3 0.0543 2.67 0.305 0.0603 3.11 4.087 0.9972 1943950 ChemDiv1_002788 CN1CCN(CC1)c2nc3ccccn3c(=O)c2/C=C/4\SC(=S)N(Cc5ccco5)C4=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 O17 compound treatment 0.291 0.0453 2.23 0.311 0.0663 3.41 3.992 0.9787 1971650 ChemDiv1_002789 COc1ccc(cc1)C2=NN(C(C2)c3cccc(c3)[N+](=O)[O-])C(=O)c4ccccc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 O18 compound treatment 0.26 0.0143 0.7 0.278 0.0333 1.72 1.711 0.9227 1971651 ChemDiv1_002790 COCCOC(=O)C1=C(C)NC(=C(C1c2cn(nc2c3cccs3)c4ccccc4)C(=O)OCCOC)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 O19 compound treatment 0.255 0.0093 0.46 0.252 0.00732 0.38 0.5905 0.9953 1544987 ChemDiv1_002791 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C#N)C3c4cc(OC)c(OC)cc4Br)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 O20 compound treatment 0.282 0.0363 1.79 0.276 0.0313 1.61 2.4044 0.9987 1273012 ChemDiv1_002792 COC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3Br)C(=O)CC(C2)c5ccc(Cl)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 O21 compound treatment 0.322 0.0763 3.76 0.32 0.0753 3.88 5.3992 0.9999 1304474 ChemDiv1_002793 CC1=C(C(C2=C(CC(CC2=O)c3ccccc3)N1)c4ccc5OCOc5c4)C(=O)OCc6ccccc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 O22 compound treatment 0.303 0.0573 2.82 0.305 0.0603 3.11 4.1915 0.9989 1971652 ChemDiv1_002794 CCSCCOC(=O)C1=C(C)NC(=O)NC1c2ccc(OCc3ccccc3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 O23 mock treatment 0.251 0.0053 0.26 0.251 0.00632 0.33 0.4147 0.994 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 O24 mock treatment 0.216 -0.0297 -1.46 0.247 0.00232 0.12 -0.9498 -0.6472 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 P01 compound treatment 0.21 -0.0357 -1.76 0.216 -0.0287 -1.48 -2.2873 -0.9962 1943813 ChemDiv1_002795 OC(=O)c1cccc(NC(=O)CC2S/C(=N\c3ccccc3)/N(C2=O)c4ccccc4)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 P02 compound treatment 0.249 0.0033 0.16 0.244 -6.77E-4 -0.03 0.0903 0.543 1217681 ChemDiv1_002796 CCOC(=O)c1c(CN2CCCCC2)n(Cc3ccccc3)c4cc(Br)c(O)cc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 P03 compound treatment 0.26 0.0143 0.7 0.248 0.00332 0.17 0.619 0.854 1318158 ChemDiv1_002797 Fc1cccc(c1)c2nc3cc(NC(=O)c4ccc5OCCOc5c4)ccc3o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 P04 compound treatment 0.26 0.0143 0.7 0.256 0.0113 0.58 0.9102 0.9956 1971653 ChemDiv1_002798 Cn1cnnc1SCC(=O)Nc2ccc(Cl)cn2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 P05 compound treatment 0.255 0.0093 0.46 0.266 0.0213 1.1 1.1001 0.9249 1971654 ChemDiv1_002799 CCOC(=O)c1c(C)c(sc1NC(=O)Cc2ccccc2)C(=O)Nc3cccc(c3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 P06 compound treatment 0.304 0.0583 2.87 0.301 0.0563 2.9 4.0807 1.0 1971655 ChemDiv1_002800 COCCOC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3Cl)C(=O)CC(C2)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 P07 compound treatment 0.307 0.0613 3.02 0.297 0.0523 2.69 4.0396 0.9984 1574121 ChemDiv1_002801 CCCOC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3Cl)C(=O)CC(C2)c5ccc(OC)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 P08 compound treatment 0.279 0.0333 1.64 0.285 0.0403 2.08 2.6276 0.9932 1971656 ChemDiv1_002802 COc1ccc(cc1)C(Nc2ncnc3n(cnc23)C4CCC(=CC4)CO)(c5ccccc5)c6ccccc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 P09 compound treatment 0.266 0.0203 1.0 0.278 0.0333 1.72 1.92 0.967 1333526 ChemDiv1_002803 NS(=O)(=O)c1ccc(NC(=O)CCSc2nc3sc4CCCCc4c3c(=O)n2CC=C)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 P10 compound treatment 0.301 0.0553 2.72 0.308 0.0633 3.26 4.231 0.996 1971657 ChemDiv1_002804 CCOc1ccc(cc1)C2=C(C=c3sc4nc5ccccc5n4c3=O)C(c6ccc(F)cc6)c7ccccc7O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 P11 compound treatment 0.271 0.0253 1.25 0.281 0.0363 1.87 2.2034 0.9805 1427161 ChemDiv1_002805 O=C(Nc1nc2ccc(NC(=O)c3ccccc3)cc2s1)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 P12 compound treatment 0.381 0.135 6.66 0.375 0.13 6.71 9.4561 1.0 1971658 ChemDiv1_002806 CC(=O)Oc1ccccc1N(/C=C\2/Sc3ccccc3C2=O)C(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 P13 compound treatment 0.272 0.0263 1.3 0.27 0.0253 1.3 1.8378 1.0 1688435 ChemDiv1_002807 O=C(Nc1ccccc1c2nc3ccccc3[nH]2)c4ccc(cc4)C(=O)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 P14 compound treatment 0.325 0.0793 3.91 0.323 0.0783 4.03 5.6129 0.9999 1971659 ChemDiv1_002808 CCOC(=O)c1c(C)n(c2ccc(Cl)cc2)c3ccc(OC(=O)/C=C/c4ccccc4)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 P15 compound treatment 0.303 0.0573 2.82 0.309 0.0643 3.31 4.3371 0.9968 1733122 ChemDiv1_002809 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4cc(OC)ccc4OC)C(=O)OC5CCCC5)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 P16 compound treatment 0.253 0.0073 0.36 0.259 0.0143 0.74 0.7756 0.9455 1971660 ChemDiv1_002810 Fc1ccc(cc1)c2nc3sc4CCCc4c3c(=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 P17 compound treatment 0.281 0.0353 1.74 0.276 0.0313 1.61 2.3696 0.9993 1971661 ChemDiv1_002811 O=C(CSc1nc2ccccc2[nH]1)Nc3sc4CCCCc4c3C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 P18 compound treatment 0.249 0.0033 0.16 0.256 0.0113 0.58 0.5271 0.871 1234636 ChemDiv1_002812 CCN(CC)c1ccc(cc1)n2c(C)c(C(=O)O)c3cc(OC)c4ccccc4c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 P19 compound treatment 0.25 0.0043 0.21 0.274 0.0293 1.51 1.2172 0.7985 1310420 ChemDiv1_002813 Nc1c(oc2ccc(Br)cc12)C(=O)c3ccc(Br)s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 P20 compound treatment 0.239 -0.0067 -0.33 0.249 0.00432 0.22 -0.076 -0.1909 1573513 ChemDiv1_002814 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c3cccc4ccccc34)c5ccccc25 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 P21 compound treatment 0.233 -0.0127 -0.63 0.245 3.23E-4 0.02 -0.4306 -0.6881 1178182 ChemDiv1_002815 CCOC(=O)c1c(CN2CCN(CC#N)CC2)n(c3ccccc3)c4cc(Br)c(OC)cc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 P22 compound treatment 0.208 -0.0377 -1.86 0.334 0.0893 4.6 1.9386 0.3909 1971662 ChemDiv1_002816 CCCCC(=O)Oc1cc2c(C(=O)OCC)c(C)n(CCCC)c2c3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 P23 mock treatment 0.216 -0.0297 -1.46 0.227 -0.0177 -0.91 -1.6779 -0.9739 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.594 P24 mock treatment 0.201 -0.0447 -2.2 0.233 -0.0117 -0.6 -1.9819 -0.8684 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 A01 compound treatment 0.183 -0.065 -3.2 0.176 -0.0657 -3.38 -4.6533 -0.9996 1315851 ChemDiv1_002817 CCCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)C(C)(C)C)c3ccccc3c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 A02 compound treatment 0.192 -0.056 -2.76 0.217 -0.0247 -1.27 -2.8474 -0.9382 1971663 ChemDiv1_002818 CCOc1ccc(/N=C/2\SC(CC(=O)N2Cc3ccccc3)C(=O)Nc4ccc(cc4)C(=O)O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 A03 compound treatment 0.193 -0.055 -2.71 0.216 -0.0257 -1.32 -2.849 -0.9457 1971664 ChemDiv1_002819 COc1ccc(cc1)C(=O)Oc2ccc(C)cc2/C=C/3\Sc4ccccc4C3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 A04 compound treatment 0.202 -0.046 -2.26 0.22 -0.0217 -1.12 -2.3899 -0.9469 1971665 ChemDiv1_002820 COc1ccc(CN/2C(=O)CC(S\C2=N/c3ccccc3)C(=O)Nc4ccccc4OC)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 A05 compound treatment 0.19 -0.058 -2.85 0.203 -0.0387 -1.99 -3.4267 -0.9845 1971666 ChemDiv1_002821 O=c1oc(/C=C/c2ccco2)nc3sc4CCCCc4c13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 A06 compound treatment 0.224 -0.024 -1.18 0.212 -0.0297 -1.53 -1.9149 -0.9919 1971667 ChemDiv1_002822 COc1ccc(CCN/2C(=O)CC(S\C2=N/c3ccccc3)C(=O)Nc4ccc(OC)cc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 A07 compound treatment 0.223 -0.025 -1.23 0.204 -0.0377 -1.94 -2.241 -0.9758 1971668 ChemDiv1_002823 COc1ccc(CCN/2C(=O)CC(S\C2=N/c3ccc(Cl)cc3)C(=O)O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 A08 compound treatment 0.23 -0.018 -0.88 0.244 0.00232 0.12 -0.5411 -0.606 1971669 ChemDiv1_002824 COC(=O)c1ccc(NC(=O)C2CC(=O)N(C)/C(=N/c3cc(Cl)ccc3Cl)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 A09 compound treatment 0.214 -0.034 -1.67 0.209 -0.0327 -1.68 -2.3724 -1.0 1971670 ChemDiv1_002825 COc1ccc(/N=C/2\SC(CC(=O)N2CCc3ccc(OC)c(OC)c3)C(=O)Nc4ccccc4OC)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 A10 compound treatment 0.235 -0.013 -0.64 0.24 -0.00168 -0.09 -0.5126 -0.7955 1971671 ChemDiv1_002826 COc1ccc(CCN/2C(=O)CC(S\C2=N/c3ccccc3)C(=O)Nc4ccc(cc4)C(=O)O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 A11 compound treatment 0.223 -0.025 -1.23 0.223 -0.0187 -0.96 -1.5493 -0.9926 1971672 ChemDiv1_002827 COC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccc4OCOc4c3)/C(=N/c5ccc(OC)cc5)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 A12 compound treatment 0.227 -0.021 -1.03 0.218 -0.0237 -1.22 -1.592 -0.9966 1941012 ChemDiv1_002828 ClC1=CCC2C(C1)C(=O)N(CN(CN3C(=O)C4CC=C(Cl)CC4C3=O)Cc5ccco5)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 A13 compound treatment 0.221 -0.027 -1.33 0.218 -0.0237 -1.22 -1.801 -0.9991 1971673 ChemDiv1_002829 CCOC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3ccc(C)cc3C)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 A14 compound treatment 0.218 -0.03 -1.48 0.24 -0.00168 -0.09 -1.1046 -0.7472 1971674 ChemDiv1_002830 CC(C)Nc1nc(NC(C)C)nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 A15 compound treatment 0.213 -0.035 -1.72 0.207 -0.0347 -1.79 -2.48 -0.9998 1971675 ChemDiv1_002831 CCOC(=O)c1ccc(NC(=O)C2CC(=O)N(C)/C(=N\c3ccc(cc3)C(=O)OC)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 A16 compound treatment 0.212 -0.036 -1.77 0.208 -0.0337 -1.73 -2.4785 -0.9999 1302605 ChemDiv1_002832 CCN1C(=O)C(O)(C2COC(C)(C)CC2=O)c3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 A17 compound treatment 0.203 -0.045 -2.21 0.204 -0.0377 -1.94 -2.9375 -0.9978 1971676 ChemDiv1_002833 CCOc1cccc(NC(=O)C2CC(=O)N(C)/C(=N\c3ccc(cc3)C(=O)OC)/S2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 A18 compound treatment 0.223 -0.025 -1.23 0.201 -0.0407 -2.09 -2.3502 -0.9678 1348235 ChemDiv1_002834 COC(=O)CN(C#N)c1nc(NCc2ccccc2)nc(OC)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 A19 compound treatment 0.234 -0.014 -0.69 0.226 -0.0157 -0.81 -1.057 -0.9968 1971677 ChemDiv1_002835 COC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3ccc(OC)cc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 A20 compound treatment 0.201 -0.047 -2.31 0.216 -0.0257 -1.32 -2.5703 -0.9648 1971678 ChemDiv1_002836 CCOC(=O)c1sc(NC(=O)Cn2nc([N+](=O)[O-])c([N+](=O)[O-])c2C)c(C(=O)OCC)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 A21 compound treatment 0.235 -0.013 -0.64 0.195 -0.0467 -2.4 -2.1507 -0.865 1971679 ChemDiv1_002837 COc1ccc(NC(=O)C2CC(=O)N(C)/C(=N/c3ccc(Cl)c(c3)C(F)(F)F)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 A22 compound treatment 0.215 -0.033 -1.62 0.213 -0.0287 -1.48 -2.192 -0.9989 1971680 ChemDiv1_002838 COc1ccc(cc1OC)c2cc(n3nc(cc3n2)C(=O)Nc4ccc(cc4)C(=O)C)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 A23 mock treatment 0.209 -0.039 -1.92 0.238 -0.00368 -0.19 -1.4909 -0.7731 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 A24 mock treatment 0.191 -0.057 -2.81 0.183 -0.0587 -3.02 -4.1199 -0.9993 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 B01 compound treatment 0.202 -0.046 -2.26 0.187 -0.0547 -2.81 -3.5912 -0.9942 1971681 ChemDiv1_002839 COc1ccc(cc1)c2cc(n3nc(cc3n2)C(=O)Nc4cccc(c4)C(=O)C)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 B02 compound treatment 0.258 0.01 0.49 0.257 0.0153 0.79 0.9073 0.9747 1971682 ChemDiv1_002840 OC(=O)CCC(=O)N1N=C(CC1c2ccccc2F)c3c(c4ccccc4)c5cc(Br)ccc5[nH]c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 B03 compound treatment 0.258 0.01 0.49 0.248 0.00632 0.33 0.5797 0.9795 1971683 ChemDiv1_002841 COc1cc(cc(OC)c1OC)c2cc(n3ncc(C(=O)Nc4c(C)n(C)n(c5ccccc5)c4=O)c3n2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 B04 compound treatment 0.252 0.00404 0.2 0.247 0.00532 0.27 0.3343 0.9876 1971684 ChemDiv1_002842 Cc1ccc2[nH]c(SCC(=O)Nc3ccccc3C(F)(F)F)nc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 B05 compound treatment 0.323 0.075 3.7 0.317 0.0753 3.88 5.3552 0.9997 1971685 ChemDiv1_002843 CN(Cc1ccccc1)C(=O)c2nn3c(cc(nc3c2Cl)c4ccco4)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 B06 compound treatment 0.259 0.011 0.54 0.257 0.0153 0.79 0.9421 0.9835 1324538 ChemDiv1_002844 COC(=O)c1ccccc1NC(=O)CSc2nc3cc(OC)ccc3[nH]2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 B07 compound treatment 0.259 0.011 0.54 0.251 0.00932 0.48 0.7237 0.9981 1971686 ChemDiv1_002845 Fc1ccc(NC(=O)c2nn3c(cc(nc3c2Cl)c4ccco4)C(F)(F)F)c(F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 B08 compound treatment 0.261 0.013 0.64 0.256 0.0143 0.74 0.9754 0.9976 1259663 ChemDiv1_002846 O=C(Nc1ccc(cc1)c2cc3ccccc3oc2=O)c4ccc5OCCOc5c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 B09 compound treatment 0.26 0.012 0.59 0.257 0.0153 0.79 0.9769 0.9901 1971687 ChemDiv1_002847 FC(F)(F)c1cc(nc2c(Cl)c(nn12)C(=O)N3CCOCC3)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 B10 compound treatment 0.264 0.016 0.79 0.259 0.0173 0.89 1.1891 0.9982 1971688 ChemDiv1_002848 OC(=O)c1ccc(COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Br)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 B11 compound treatment 0.255 0.00704 0.35 0.254 0.0123 0.63 0.6936 0.9595 1971689 ChemDiv1_002849 COc1ccc(cc1OC)c2cc(n3nc(C(=O)NCCN4CCOCC4)c(Cl)c3n2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 B12 compound treatment 0.251 0.00304 0.15 0.255 0.0133 0.69 0.5907 0.8415 1945511 ChemDiv1_002850 Cc1ccc(cc1)N2C(=O)/C(=C/c3ccc(OCC(=O)O)c(Br)c3)/C(=O)NC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 B13 compound treatment 0.324 0.076 3.74 0.306 0.0643 3.31 4.9896 0.9981 1971690 ChemDiv1_002851 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4ccc(O)c(OC)c4)C(=O)OCCOc5ccccc5)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 B14 compound treatment 0.323 0.075 3.7 0.307 0.0653 3.36 4.9912 0.9989 1971691 ChemDiv1_002852 CCOC(=O)c1c(C)c(sc1NC(=O)CCc2ccccc2)C(=O)Nc3ccc(cc3)C(=O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 B15 compound treatment 0.257 0.00904 0.45 0.255 0.0133 0.69 0.7997 0.9781 1266671 ChemDiv1_002853 CCOC(=O)c1c(C)c(sc1NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)Nc3ccc(cc3)C(=O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 B16 compound treatment 0.263 0.015 0.74 0.258 0.0163 0.84 1.1178 0.998 1971692 ChemDiv1_002854 CCCOc1ccc(OCCSc2nc3ccccc3n2CC(=O)O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 B17 compound treatment 0.261 0.013 0.64 0.256 0.0143 0.74 0.9754 0.9976 1546931 ChemDiv1_002855 CCOC(=O)c1c(C)c(sc1NC(=O)c2cccs2)C(=O)Nc3ccc(cc3)C(=O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 B18 compound treatment 0.272 0.024 1.18 0.268 0.0263 1.36 1.7953 0.9977 1684044 ChemDiv1_002856 O=C(On1c(nc2ccccc2c1=O)c3ccccc3)c4ccco4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 B19 compound treatment 0.253 0.00504 0.25 0.254 0.0123 0.63 0.624 0.916 1199419 ChemDiv1_002857 COC(=O)c1c(NC(=O)CCN2C(=O)c3ccccc3C2=O)sc4CCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 B20 compound treatment 0.252 0.00404 0.2 0.255 0.0133 0.69 0.6255 0.876 1187744 ChemDiv1_002858 Clc1nc(NCc2ccco2)nc(Nc3nc(cs3)c4ccccc4)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 B21 compound treatment 0.255 0.00704 0.35 0.256 0.0143 0.74 0.7664 0.9407 1943418 ChemDiv1_002859 COc1ccc(cc1)C2=NN(C(C2)c3ccc(Br)cc3)C(=O)CCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 B22 compound treatment 0.243 -0.00496 -0.24 0.247 0.00532 0.27 0.0209 0.0568 1468275 ChemDiv1_002860 COc1ccccc1NC2CC(C)N(C(=O)c3ccc(C)cc3)c4c(C)cccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 B23 mock treatment 0.252 0.00404 0.2 0.247 0.00532 0.27 0.3343 0.9876 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 B24 mock treatment 0.213 -0.035 -1.72 0.237 -0.00468 -0.24 -1.388 -0.7982 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 C01 compound treatment 0.213 -0.035 -1.72 0.208 -0.0337 -1.73 -2.4436 -1.0 1493276 ChemDiv1_002861 CCCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)Cc3ccccc3)c4ccccc4c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 C02 compound treatment 0.241 -0.00696 -0.34 0.235 -0.00668 -0.34 -0.4856 -1.0 1971693 ChemDiv1_002862 COc1ccc(NC(=O)C2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c4ccc(OC)cc4)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 C03 compound treatment 0.243 -0.00496 -0.24 0.241 -6.77E-4 -0.03 -0.1976 -0.7999 1971694 ChemDiv1_002863 COc1ccc(cc1)c2csc3nc(oc(=O)c23)c4ccc(C)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 C04 compound treatment 0.252 0.00404 0.2 0.246 0.00432 0.22 0.2979 0.9984 1971695 ChemDiv1_002864 COc1ccccc1NC(=O)C2CC(=O)N(CCc3ccccc3)/C(=N/c4ccccc4)/S2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 C05 compound treatment 0.245 -0.00296 -0.15 0.24 -0.00168 -0.09 -0.1643 -0.9686 1605374 ChemDiv1_002865 CCOc1ccc(cc1)n2c(C)c(C(=O)OC3CCCCC3)c4cc(OC)ccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 C06 compound treatment 0.276 0.028 1.38 0.273 0.0313 1.61 2.1166 0.997 1971696 ChemDiv1_002866 COC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccc4OCOc4c3)/C(=N/c5ccccc5)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 C07 compound treatment 0.304 0.056 2.76 0.304 0.0623 3.21 4.2202 0.9972 1971697 ChemDiv1_002867 CCOc1ccc(/N=C/2\SC(CC(=O)N2Cc3ccc(OC)cc3)C(=O)Nc4ccccc4OC)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 C08 compound treatment 0.267 0.019 0.94 0.266 0.0243 1.25 1.5484 0.9898 1971698 ChemDiv1_002868 OC(=O)c1ccc(NC(=O)C2CC(=O)N(CCc3ccccc3)/C(=N/c4ccc(F)cc4)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 C09 compound treatment 0.258 0.01 0.49 0.253 0.0113 0.58 0.7617 0.9966 1971699 ChemDiv1_002869 COc1ccc(NC(=O)C2CC(=O)N(Cc3ccc4OCOc4c3)/C(=N/c5ccc(OC)cc5)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 C10 compound treatment 0.259 0.011 0.54 0.258 0.0163 0.84 0.9785 0.9778 1971700 ChemDiv1_002870 OC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccc4OCOc4c3)/C(=N/c5ccc(F)cc5)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 C11 compound treatment 0.286 0.038 1.87 0.281 0.0393 2.02 2.7561 0.9993 1971701 ChemDiv1_002871 CCOC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3ccc(OC)cc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 C12 compound treatment 0.248 3.57E-5 0.0 0.246 0.00432 0.22 0.1586 0.7127 1689943 ChemDiv1_002872 COC(=O)CN(c1nc(C)cc(OC)n1)S(=O)(=O)c2ccccc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 C13 compound treatment 0.29 0.042 2.07 0.284 0.0423 2.18 3.0046 0.9997 1971702 ChemDiv1_002873 CCOC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3ccccc3Cl)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 C14 compound treatment 0.272 0.024 1.18 0.266 0.0243 1.25 1.7225 0.9996 1782850 ChemDiv1_002874 CC(=O)Nc1ccc2NC(C3CC=CC3c2c1)c4ccccc4[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 C15 compound treatment 0.272 0.024 1.18 0.265 0.0233 1.2 1.6861 1.0 1971703 ChemDiv1_002875 CCOC(=O)c1ccc(NC(=O)C2CC(=O)N(C)/C(=N\c3ccc(F)cc3)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 C16 compound treatment 0.249 0.00104 0.05 0.249 0.00732 0.38 0.3026 0.7955 1971704 ChemDiv1_002876 CCN(CC)CCCN1C(=O)C2C(C3C2C4C=CC3C5C4C(=O)N(CCCN(CC)CC)C5=O)C1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 C17 compound treatment 0.304 0.056 2.76 0.312 0.0703 3.62 4.5115 0.991 1971705 ChemDiv1_002877 CCOc1cccc(NC(=O)C2CC(=O)N(C)/C(=N\c3ccc(Br)cc3)/S2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 C18 compound treatment 0.306 0.058 2.86 0.301 0.0593 3.05 4.1807 0.9995 1441771 ChemDiv1_002878 CCOC(=O)CSc1nc2-c3ccccc3CC(CC)(C4CCCCC4)c2c(=O)[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 C19 compound treatment 0.258 0.01 0.49 0.265 0.0233 1.2 1.1985 0.923 1971706 ChemDiv1_002879 CN/1C(=O)CC(S\C1=N\c2cccc(c2)C(F)(F)F)C(=O)Nc3ccc(F)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 C20 compound treatment 0.288 0.04 1.97 0.289 0.0473 2.44 3.117 0.9945 1971707 ChemDiv1_002880 Cc1c([N+](=O)[O-])c(nn1CC(=O)Nc2cc(Oc3cccnc3)cc(c2)[N+](=O)[O-])[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 C21 compound treatment 0.24 -0.00796 -0.39 0.235 -0.00668 -0.34 -0.5204 -0.9978 1971708 ChemDiv1_002881 CN/1C(=O)CC(S\C1=N/c2ccc(Cl)c(c2)C(F)(F)F)C(=O)Nc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 C22 compound treatment 0.244 -0.00396 -0.2 0.241 -6.77E-4 -0.03 -0.1627 -0.8204 1971709 ChemDiv1_002882 COc1ccc(cc1OC)c2cc(n3nc(cc3n2)C(=O)Nc4ccc5OCOc5c4)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 C23 mock treatment 0.238 -0.00996 -0.49 0.237 -0.00468 -0.24 -0.5173 -0.9463 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 C24 mock treatment 0.232 -0.016 -0.79 0.237 -0.00468 -0.24 -0.7263 -0.8832 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 D01 compound treatment 0.224 -0.024 -1.18 0.213 -0.0287 -1.48 -1.8785 -0.9938 1971710 ChemDiv1_002883 CCOC(=O)c1c(NC(=O)c2cnn3c(cc(nc23)c4ccco4)C(F)(F)F)sc5CCCCc15 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 D02 compound treatment 0.242 -0.00596 -0.29 0.242 3.23E-4 0.02 -0.196 -0.6661 1971711 ChemDiv1_002884 CC(=O)N1N=C(CC1c2ccccc2F)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 D03 compound treatment 0.256 0.00804 0.4 0.25 0.00832 0.43 0.5828 0.9992 1971712 ChemDiv1_002885 COc1cc(cc(OC)c1OC)c2cc(n3ncc(C(=O)Nc4cccnc4Cl)c3n2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 D04 compound treatment 0.273 0.025 1.23 0.268 0.0263 1.36 1.8301 0.9989 1214132 ChemDiv1_002886 COc1ccc2nc(NC(=O)CSc3nc4cc(C)ccc4[nH]3)sc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 D05 compound treatment 0.299 0.051 2.51 0.29 0.0483 2.49 3.5365 1.0 1971713 ChemDiv1_002887 Fc1ccc(CNC(=O)c2nn3c(cc(nc3c2Cl)c4ccco4)C(F)(F)F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 D06 compound treatment 0.252 0.00404 0.2 0.25 0.00832 0.43 0.4435 0.939 1230343 ChemDiv1_002888 COc1ccc(CNC(=O)CSc2nc3cc(OC)ccc3[nH]2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 D07 compound treatment 0.267 0.019 0.94 0.261 0.0193 0.99 1.3663 0.9996 1971714 ChemDiv1_002889 COc1cc(NC(=O)c2nn3c(cc(nc3c2Cl)c4ccco4)C(F)(F)F)cc(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 D08 compound treatment 0.258 0.01 0.49 0.26 0.0183 0.94 1.0165 0.9545 1739426 ChemDiv1_002890 Cc1cc(C)c2oc(nc2c1)c3ccc(NC(=O)c4ccc5OCCOc5c4)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 D09 compound treatment 0.33 0.082 4.04 0.324 0.0823 4.24 5.8538 0.9997 1971715 ChemDiv1_002891 FC(F)(F)c1cc(nc2c(Cl)c(nn12)C(=O)NCCCn3ccnc3)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 D10 compound treatment 0.256 0.00804 0.4 0.256 0.0143 0.74 0.8012 0.9574 1945468 ChemDiv1_002892 CN1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc(cc3)C(=O)O)c(Br)c2)/C1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 D11 compound treatment 0.335 0.087 4.29 0.319 0.0773 3.98 5.8459 0.9993 1943239 ChemDiv1_002893 COCCNC(=O)c1nn2c(cc(nc2c1Cl)c3ccc(OC)c(OC)c3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 D12 compound treatment 0.251 0.00304 0.15 0.254 0.0123 0.63 0.5543 0.8505 1945465 ChemDiv1_002894 CCc1ccc(cc1)N2C(=O)/C(=C/c3ccc(OCC(=O)O)c(Br)c3)/C(=O)NC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 D13 compound treatment 0.311 0.063 3.1 0.306 0.0643 3.31 4.5368 0.9995 1971716 ChemDiv1_002895 COc1ccc(C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)OCCOc4ccccc4)c(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 D14 compound treatment 0.276 0.028 1.38 0.275 0.0333 1.72 2.1894 0.9942 1971717 ChemDiv1_002896 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3Cl)C(=O)CC(C2)c5ccc(Cl)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 D15 compound treatment 0.256 0.00804 0.4 0.259 0.0173 0.89 0.9104 0.9332 1485964 ChemDiv1_002897 CCOC(=O)c1c(C)c(sc1NC(=O)c2cccc(Cl)c2)C(=O)Nc3ccc(cc3)C(=O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 D16 compound treatment 0.258 0.01 0.49 0.26 0.0183 0.94 1.0165 0.9545 1784062 ChemDiv1_002898 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Cl)c(c2)[N+](=O)[O-])C(=O)Nc3ccccc3C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 D17 compound treatment 0.312 0.064 3.15 0.31 0.0683 3.52 4.7173 0.9985 1971718 ChemDiv1_002899 CCOCCOC(=O)C1=C(C)NC2=C(C1c3ccc(Br)cc3)C(=O)CC(C2)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 D18 compound treatment 0.292 0.044 2.17 0.288 0.0463 2.38 3.2199 0.9989 1971719 ChemDiv1_002900 [O-][N+](=O)c1ccc(cc1)C(=O)CSc2nnc(o2)c3ccco3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 D19 compound treatment 0.265 0.017 0.84 0.264 0.0223 1.15 1.4059 0.9881 1326627 ChemDiv1_002901 CCOC(=O)c1c(C)c(C)sc1NC(=O)C2COc3ccccc3O2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 D20 compound treatment 0.263 0.015 0.74 0.259 0.0173 0.89 1.1542 0.9957 1279285 ChemDiv1_002902 C1CN(CCO1)c2nc(Nc3nc(cs3)c4ccccc4)nc(n2)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 D21 compound treatment 0.278 0.03 1.48 0.282 0.0403 2.08 2.5139 0.9862 1971720 ChemDiv1_002903 CC(=O)N1N=C(CC1c2ccccc2F)c3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 D22 compound treatment 0.25 0.00204 0.1 0.246 0.00432 0.22 0.2283 0.9352 1395832 ChemDiv1_002904 COc1ccc(cc1)C(=O)N2C(C)CC(Nc3ccc(C)cc3)c4ccc(C)cc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 D23 mock treatment 0.245 -0.00296 -0.15 0.25 0.00832 0.43 0.1997 0.4412 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 D24 mock treatment 0.243 -0.00496 -0.24 0.245 0.00332 0.17 -0.0519 -0.1741 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 E01 compound treatment 0.233 -0.015 -0.74 0.233 -0.00868 -0.45 -0.837 -0.9712 1297496 ChemDiv1_002905 CCCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)COc3ccccc3)c4ccccc4c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 E02 compound treatment 0.261 0.013 0.64 0.258 0.0163 0.84 1.0482 0.9912 1971721 ChemDiv1_002906 COc1ccc(/N=C/2\SC(CC(=O)N2CCc3ccc(OC)c(OC)c3)C(=O)Nc4ccc(cc4)C(=O)O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 E03 compound treatment 0.258 0.01 0.49 0.255 0.0133 0.69 0.8345 0.9871 1971722 ChemDiv1_002907 COc1ccc(cc1)c2csc3nc(oc(=O)c23)c4ccccc4F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 E04 compound treatment 0.289 0.041 2.02 0.285 0.0433 2.23 3.0062 0.9988 1971723 ChemDiv1_002908 O=C(Nc1ccccc1)C2CC(=O)N(Cc3ccc4OCOc4c3)/C(=N/c5ccccc5)/S2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 E05 compound treatment 0.25 0.00204 0.1 0.251 0.00932 0.48 0.4103 0.8368 1708247 ChemDiv1_002909 COc1ccc(cc1)c2nc3c4c5CC(C)(C)NC(C)(C)c5sc4ncn3n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 E06 compound treatment 0.279 0.031 1.53 0.279 0.0373 1.92 2.4395 0.9936 1971724 ChemDiv1_002910 COC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c4ccccc4)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 E07 compound treatment 0.302 0.054 2.66 0.3 0.0583 3.0 4.005 0.9982 1971725 ChemDiv1_002911 CCOc1ccc(/N=C/2\SC(CC(=O)N2Cc3ccc4OCOc4c3)C(=O)Nc5ccccc5OC)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 E08 compound treatment 0.3 0.052 2.56 0.298 0.0563 2.9 3.8625 0.9981 1971726 ChemDiv1_002912 COc1ccc(CCN/2C(=O)CC(S\C2=N/c3ccc(F)cc3)C(=O)Nc4ccc(cc4)C(=O)O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 E09 compound treatment 0.281 0.033 1.63 0.277 0.0353 1.82 2.4364 0.9985 1971727 ChemDiv1_002913 COc1ccc(/N=C/2\SC(CC(=O)N2Cc3ccc4OCOc4c3)C(=O)Nc5ccc(cc5)C(=O)O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 E10 compound treatment 0.325 0.077 3.79 0.321 0.0793 4.08 5.5705 0.9993 1971728 ChemDiv1_002914 OC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccccc3)/C(=N/c4ccc(F)cc4)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 E11 compound treatment 0.261 0.013 0.64 0.269 0.0273 1.41 1.4486 0.9369 1971729 ChemDiv1_002915 CCOC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3cccc(C)c3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 E12 compound treatment 0.276 0.028 1.38 0.263 0.0213 1.1 1.7526 0.9935 1141939 ChemDiv1_002916 CN(C)c1nc(nc(n1)N(CCOc2ccccc2C)C#N)N(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 E13 compound treatment 0.314 0.066 3.25 0.29 0.0483 2.49 4.0589 0.9912 1971730 ChemDiv1_002917 CCOC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3cccc(OCC)c3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 E14 compound treatment 0.268 0.02 0.99 0.271 0.0293 1.51 1.7652 0.9788 1714810 ChemDiv1_002918 CC(=O)Nc1ccc2NC(C3CC=CC3c2c1)c4ccc(Cl)cc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 E15 compound treatment 0.255 0.00704 0.35 0.261 0.0193 0.99 0.9484 0.9004 1971731 ChemDiv1_002919 CCOC(=O)c1ccc(NC(=O)C2CC(=O)N(C)/C(=N\c3ccccc3OC)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 E16 compound treatment 0.256 0.00804 0.4 0.259 0.0173 0.89 0.9104 0.9332 1971732 ChemDiv1_002920 COc1ccccc1N2C(=O)C3C(C4C3C5C=CC4C6C5C(=O)N(C6=O)c7ccccc7OC)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 E17 compound treatment 0.296 0.048 2.37 0.298 0.0563 2.9 3.7232 0.9949 1971733 ChemDiv1_002921 CCOc1cccc(NC(=O)C2CC(=O)N(C)/C(=N\c3ccc(C)c(Cl)c3)/S2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 E18 compound treatment 0.264 0.016 0.79 0.265 0.0233 1.2 1.4075 0.9794 1528170 ChemDiv1_002922 Cn1c(SCC(=O)N2CCOCC2)nc3n(C)c(=O)n(C)c(=O)c13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 E19 compound treatment 0.252 0.00404 0.2 0.255 0.0133 0.69 0.6255 0.876 1971734 ChemDiv1_002923 COC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3ccc(cc3)C(=O)O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 E20 compound treatment 0.256 0.00804 0.4 0.257 0.0153 0.79 0.8376 0.9491 1971735 ChemDiv1_002924 COc1ccc(cc1)c2cc(n3nc(cc3n2)C(=O)Nc4ccc(OC)cc4OC)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 E21 compound treatment 0.293 0.045 2.22 0.271 0.0293 1.51 2.6359 0.9824 1971736 ChemDiv1_002925 COc1ccc(NC(=O)C2CC(=O)N(CCc3ccccc3)/C(=N/c4ccc(OC)cc4)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 E22 compound treatment 0.263 0.015 0.74 0.259 0.0173 0.89 1.1542 0.9957 1971737 ChemDiv1_002926 COc1ccc(cc1OC)c2cc(n3nc(cc3n2)C(=O)NCC4CCCO4)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 E23 mock treatment 0.25 0.00204 0.1 0.246 0.00432 0.22 0.2283 0.9352 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 E24 mock treatment 0.247 -9.64E-4 -0.05 0.235 -0.00668 -0.34 -0.2767 -0.7972 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 F01 compound treatment 0.249 0.00104 0.05 0.228 -0.0137 -0.7 -0.4618 -0.6542 1971738 ChemDiv1_002927 COc1cc(cc(OC)c1OC)c2cc(n3ncc(C(=O)Nc4cc(C)ccc4O)c3n2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 F02 compound treatment 0.265 0.017 0.84 0.263 0.0213 1.1 1.3695 0.9912 1206594 ChemDiv1_002928 COc1ccc(cc1)C2CC(=NN2C(=O)CCC(=O)O)c3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 F03 compound treatment 0.262 0.014 0.69 0.261 0.0193 0.99 1.1922 0.9842 1971739 ChemDiv1_002929 FC(F)(F)c1cc(nc2c(cnn12)C(=O)N3CCN(Cc4ccccc4)CC3)c5ccc6OCOc6c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 F04 compound treatment 0.269 0.021 1.04 0.262 0.0203 1.05 1.4724 1.0 1971740 ChemDiv1_002930 FC(F)(F)c1ccccc1NC(=O)CSc2nc3ccccc3o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 F05 compound treatment 0.273 0.025 1.23 0.267 0.0253 1.3 1.7937 0.9996 1971741 ChemDiv1_002931 FC(F)(F)c1cc(nc2c(Cl)c(nn12)C(=O)Nc3cccnc3Cl)c4ccco4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 F06 compound treatment 0.299 0.051 2.51 0.282 0.0403 2.08 3.2453 0.9955 1971742 ChemDiv1_002932 COc1cccc(NC(=O)CSc2nc3ccccc3n2C(=O)C)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 F07 compound treatment 0.282 0.034 1.68 0.28 0.0383 1.97 2.5804 0.9967 1971743 ChemDiv1_002933 FC(F)(F)c1cc(nc2c(Cl)c(nn12)C(=O)N3CCN(CC3)C(=O)c4ccccc4)c5ccco5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 F08 compound treatment 0.292 0.044 2.17 0.291 0.0493 2.54 3.3291 0.9969 1668404 ChemDiv1_002934 Fc1ccccc1c2nc3cc(NC(=O)c4ccc5OCCOc5c4)ccc3o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 F09 compound treatment 0.267 0.019 0.94 0.27 0.0283 1.46 1.694 0.9772 1971744 ChemDiv1_002935 FC(F)(F)c1cc(nc2c(Cl)c(nn12)C(=O)NCCN3CCOCC3)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 F10 compound treatment 0.261 0.013 0.64 0.256 0.0143 0.74 0.9754 0.9976 1971745 ChemDiv1_002936 OC(=O)COc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccccc3)cc1Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 F11 compound treatment 0.305 0.057 2.81 0.308 0.0663 3.41 4.4007 0.9953 1971746 ChemDiv1_002937 CCN(CC)CCCNC(=O)c1nn2c(cc(nc2c1Cl)c3ccc(OC)c(OC)c3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 F12 compound treatment 0.259 0.011 0.54 0.259 0.0173 0.89 1.0149 0.9718 1945437 ChemDiv1_002938 OC(=O)COc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(F)cc3)cc1Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 F13 compound treatment 0.262 0.014 0.69 0.253 0.0113 0.58 0.901 0.9964 1938187 ChemDiv1_002939 COc1cccc(C2NC(=O)NC(=C2C(=O)OCCOc3ccccc3)C)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 F14 compound treatment 0.288 0.04 1.97 0.296 0.0543 2.8 3.3718 0.9854 1971747 ChemDiv1_002940 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3Br)C(=O)CC(C2)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 F15 compound treatment 0.261 0.013 0.64 0.26 0.0183 0.94 1.121 0.9824 1716164 ChemDiv1_002941 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(F)cc2)C(=O)Nc3ccc(cc3)C(=O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 F16 compound treatment 0.266 0.018 0.89 0.272 0.0303 1.56 1.7319 0.9643 1189094 ChemDiv1_002942 CCOC(=O)c1c(C)c(sc1NC(=O)COc2ccc(Cl)cc2)C(=O)Nc3ccccc3C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 F17 compound treatment 0.337 0.089 4.39 0.337 0.0953 4.91 6.5708 0.9984 1971748 ChemDiv1_002943 CC1=C(C(C2=C(CC(CC2=O)c3ccc(Cl)cc3)N1)c4cccnc4)C(=O)OCCOc5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 F18 compound treatment 0.299 0.051 2.51 0.302 0.0603 3.11 3.9733 0.9945 1926772 ChemDiv1_002944 Brc1ccc(cc1)C(=O)CSc2nnc(o2)c3cccnc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 F19 compound treatment 0.283 0.035 1.73 0.279 0.0373 1.92 2.5788 0.9986 1971749 ChemDiv1_002945 CC/N=C/1\SC(CC(=O)Nc2ccc(F)cc2)C(=O)N1CC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 F20 compound treatment 0.26 0.012 0.59 0.259 0.0173 0.89 1.0498 0.9803 1971750 ChemDiv1_002946 FC(F)(F)c1cccc(NC(=O)CSc2nc3ccccc3o2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 F21 compound treatment 0.259 0.011 0.54 0.26 0.0183 0.94 1.0513 0.9657 1928138 ChemDiv1_002947 OC(=O)CCC(=O)N1N=C(CC1c2cccc(c2)[N+](=O)[O-])c3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 F22 compound treatment 0.248 3.57E-5 0.0 0.25 0.00832 0.43 0.3042 0.71 1447227 ChemDiv1_002948 CC1CC(Nc2ccc(C)cc2)c3ccc(C)cc3N1C(=O)c4cccc(F)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 F23 mock treatment 0.257 0.00904 0.45 0.252 0.0103 0.53 0.6905 0.9961 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 F24 mock treatment 0.252 0.00404 0.2 0.247 0.00532 0.27 0.3343 0.9876 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 G01 compound treatment 0.247 -9.64E-4 -0.05 0.246 0.00432 0.22 0.1238 0.5439 1240434 ChemDiv1_002949 CCCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)COc3ccccc3C)c4ccccc4c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 G02 compound treatment 0.288 0.04 1.97 0.283 0.0413 2.13 2.8986 0.9993 1971751 ChemDiv1_002950 COC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccccc3)/C(=N/c4ccc(OC)cc4)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 G03 compound treatment 0.254 0.00604 0.3 0.256 0.0143 0.74 0.7316 0.9202 1409622 ChemDiv1_002951 O=C1CCC(=O)N1c2ccc(cc2)c3nc4sc5CCCc5c4c(=O)o3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 G04 compound treatment 0.293 0.045 2.22 0.293 0.0513 2.64 3.4367 0.9962 1971752 ChemDiv1_002952 OC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccc(Cl)cc3)/C(=N/c4ccccc4)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 G05 compound treatment 0.256 0.00804 0.4 0.255 0.0133 0.69 0.7648 0.9659 1172543 ChemDiv1_002953 CC1(C)Cc2c(sc3ncn4nc(nc4c23)c5ccccc5O)C(C)(C)N1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 G06 compound treatment 0.273 0.025 1.23 0.276 0.0343 1.77 2.1213 0.9845 1971753 ChemDiv1_002954 COc1ccc(NC(=O)C2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c4ccccc4)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 G07 compound treatment 0.304 0.056 2.76 0.291 0.0493 2.54 3.747 0.9991 1971754 ChemDiv1_002955 COc1ccc(CN/2C(=O)CC(S\C2=N/c3ccc(F)cc3)C(=O)Nc4ccccc4OC)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 G08 compound treatment 0.292 0.044 2.17 0.281 0.0393 2.02 2.9651 0.9994 1971755 ChemDiv1_002956 COc1ccc(CCN/2C(=O)CC(S\C2=N/c3ccc(F)cc3)C(=O)Nc4ccc(cc4)C(=O)C)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 G09 compound treatment 0.295 0.047 2.32 0.285 0.0433 2.23 3.2152 0.9998 1971756 ChemDiv1_002957 COc1ccc(/N=C/2\SC(CC(=O)N2Cc3ccc4OCOc4c3)C(=O)Nc5ccc(F)cc5)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 G10 compound treatment 0.252 0.00404 0.2 0.255 0.0133 0.69 0.6255 0.876 1971757 ChemDiv1_002958 COc1ccc(CN/2C(=O)CC(S\C2=N/c3ccc(Cl)cc3)C(=O)Nc4ccc(cc4)C(=O)O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 G11 compound treatment 0.254 0.00604 0.3 0.258 0.0163 0.84 0.8044 0.9025 1971758 ChemDiv1_002959 CCOC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3cccc(Cl)c3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 G12 compound treatment 0.261 0.013 0.64 0.266 0.0243 1.25 1.3394 0.9518 1971759 ChemDiv1_002960 CCN(CC)C(=O)CN(C#N)c1nc(nc(n1)N(C)C)N(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 G13 compound treatment 0.28 0.032 1.58 0.27 0.0283 1.46 2.1467 0.9992 1971760 ChemDiv1_002961 CCOC(=O)c1ccc(NC(=O)C2CC(=O)N(C)/C(=N\c3ccc(cc3)C(=O)OCC)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 G14 compound treatment 0.253 0.00504 0.25 0.251 0.00932 0.48 0.5147 0.9528 1228270 ChemDiv1_002962 CC(C)Sc1nc(N2CCOCC2)c3COC(C)(C)Cc3c1C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 G15 compound treatment 0.278 0.03 1.48 0.272 0.0303 1.56 2.1499 0.9996 1971761 ChemDiv1_002963 CCOC(=O)c1ccc(NC(=O)C2CC(=O)N(C)/C(=N\c3cccc(F)c3)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 G16 compound treatment 0.26 0.012 0.59 0.26 0.0183 0.94 1.0862 0.9749 1971762 ChemDiv1_002964 Oc1cccc(c1)N2C(=O)C3C(C4C3C5C=CC4C6C5C(=O)N(C6=O)c7cccc(O)c7)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 G17 compound treatment 0.254 0.00604 0.3 0.26 0.0183 0.94 0.8772 0.887 1971763 ChemDiv1_002965 COC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3ccccc3OC)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 G18 compound treatment 0.26 0.012 0.59 0.261 0.0193 0.99 1.1226 0.9694 1546202 ChemDiv1_002966 COC(=O)c1ccccc1NC(=O)Cn2c(SC)nc3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 G19 compound treatment 0.288 0.04 1.97 0.278 0.0363 1.87 2.7166 0.9996 1971764 ChemDiv1_002967 CCOc1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3ccc(C)c(Cl)c3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 G20 compound treatment 0.301 0.053 2.61 0.306 0.0643 3.31 4.1886 0.9931 1928539 ChemDiv1_002968 FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)N3CCN(CC3)C(=O)c4ccccc4)c5cccs5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 G21 compound treatment 0.273 0.025 1.23 0.271 0.0293 1.51 1.9393 0.995 1971765 ChemDiv1_002969 COc1ccc(NC(=O)C2CC(=O)N(Cc3ccc4OCOc4c3)/C(=N\c5ccc(F)cc5)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 G22 compound treatment 0.252 0.00404 0.2 0.251 0.00932 0.48 0.4799 0.9239 1971766 ChemDiv1_002970 COc1ccc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccc(OC)c(OC)c4)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 G23 mock treatment 0.249 0.00104 0.05 0.251 0.00932 0.48 0.3754 0.7779 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 G24 mock treatment 0.245 -0.00296 -0.15 0.239 -0.00268 -0.14 -0.2007 -0.9996 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 H01 compound treatment 0.252 0.00404 0.2 0.225 -0.0167 -0.86 -0.4665 -0.5294 1971767 ChemDiv1_002971 COc1cc(cc(OC)c1OC)c2cc(n3ncc(C(=O)Nc4ccc(cc4)C(=O)C)c3n2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 H02 compound treatment 0.311 0.063 3.1 0.324 0.0823 4.24 5.1921 0.9883 1971768 ChemDiv1_002972 Brc1ccc2[nH]c(=O)c(C3=NN(C(C3)c4ccccc4)C(=O)c5ccncc5)c(c6ccccc6)c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 H03 compound treatment 0.257 0.00904 0.45 0.253 0.0113 0.58 0.7269 0.9911 1971769 ChemDiv1_002973 COc1ccc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccc5OCOc5c4)c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 H04 compound treatment 0.255 0.00704 0.35 0.256 0.0143 0.74 0.7664 0.9407 1971770 ChemDiv1_002974 CC(=O)c1ccc(NC(=O)CSc2nc3cc(ccc3[nH]2)[N+](=O)[O-])cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 H05 compound treatment 0.287 0.039 1.92 0.284 0.0423 2.18 2.9001 0.9981 1971771 ChemDiv1_002975 Fc1ccc(cc1)N2CCN(CC2)C(=O)c3nn4c(cc(nc4c3Cl)c5ccco5)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 H06 compound treatment 0.287 0.039 1.92 0.273 0.0313 1.61 2.4997 0.9962 1971772 ChemDiv1_002976 CC1CCc2c(C1)sc3nc(oc(=O)c23)c4ccccc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 H07 compound treatment 0.503 0.255 12.56 0.276 0.0343 1.77 10.1315 0.7987 1971773 ChemDiv1_002977 COc1cc(NC(=O)c2nn3c(cc(nc3c2Cl)c4ccco4)C(F)(F)F)cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 H08 compound treatment 0.311 0.063 3.1 0.297 0.0553 2.85 4.2092 0.9991 1532693 ChemDiv1_002978 COc1ccc(cc1)n2nc3ccc(NC(=O)c4ccc5OCCOc5c4)cc3n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 H09 compound treatment 0.363 0.115 5.67 0.356 0.114 5.89 8.168 0.9998 1971774 ChemDiv1_002979 COc1ccc(cc1OC)c2cc(n3nc(C(=O)N4CCN(C)CC4)c(Cl)c3n2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 H10 compound treatment 0.254 0.00604 0.3 0.256 0.0143 0.74 0.7316 0.9202 1945601 ChemDiv1_002980 Cc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)c(Br)c3)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 H11 compound treatment 0.297 0.049 2.42 0.289 0.0473 2.44 3.4304 1.0 1399164 ChemDiv1_002981 O=C(Nc1ccc(cc1)c2nc3ncccc3o2)c4ccc5CCc6cccc4c65 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 H12 compound treatment 0.251 0.00304 0.15 0.254 0.0123 0.63 0.5543 0.8505 1971775 ChemDiv1_002982 OC(=O)COc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(Cl)cc3)cc1Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 H13 compound treatment 0.264 0.016 0.79 0.254 0.0123 0.63 1.007 0.9941 1327648 ChemDiv1_002983 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Cl)cc2)C(=O)Nc3ccc(cc3)C(=O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 H14 compound treatment 0.297 0.049 2.42 0.295 0.0533 2.75 3.6488 0.998 1971776 ChemDiv1_002984 CCOCCOC(=O)C1=C(C)NC2=C(C1c3ccccc3Cl)C(=O)CC(C2)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 H15 compound treatment 0.256 0.00804 0.4 0.258 0.0163 0.84 0.874 0.941 1784055 ChemDiv1_002985 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Cl)c(c2)[N+](=O)[O-])C(=O)Nc3ccc(OC)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 H16 compound treatment 0.273 0.025 1.23 0.277 0.0353 1.82 2.1577 0.9821 1726949 ChemDiv1_002986 CCOC(=O)c1c(CN2CCC(C)CC2)n(C)c3cc(Br)c(OC)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 H17 compound treatment 0.298 0.05 2.46 0.293 0.0513 2.64 3.6109 0.9994 1340179 ChemDiv1_002987 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4cc(OC)c(OC)c(OC)c4)C(=O)OCC(C)C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 H18 compound treatment 0.284 0.036 1.77 0.297 0.0553 2.85 3.2689 0.9741 1938496 ChemDiv1_002988 COc1ccc(Nc2nc(Nc3ccc(cc3)[N+](=O)[O-])nc(OC)n2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 H19 compound treatment 0.257 0.00904 0.45 0.252 0.0103 0.53 0.6905 0.9961 1950508 ChemDiv1_002989 CC/N=C/1\SC(CC(=O)Nc2ccccc2C#N)C(=O)N1CC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 H20 compound treatment 0.277 0.029 1.43 0.277 0.0353 1.82 2.2971 0.9929 1971777 ChemDiv1_002990 Cc1ccc2[nH]c(SCC(=O)Nc3cccc(c3)C(F)(F)F)nc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 H21 compound treatment 0.287 0.039 1.92 0.283 0.0413 2.13 2.8637 0.9987 1971778 ChemDiv1_002991 COc1ccc(cc1)C2=NN(C(C2)c3cccc(c3)[N+](=O)[O-])C(=O)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 H22 compound treatment 0.285 0.037 1.82 0.287 0.0453 2.33 2.9397 0.9926 1344202 ChemDiv1_002992 CC1CC(Nc2ccccc2)c3ccccc3N1C(=O)COc4ccc5ccccc5c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 H23 mock treatment 0.25 0.00204 0.1 0.251 0.00932 0.48 0.4103 0.8368 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 H24 mock treatment 0.255 0.00704 0.35 0.246 0.00432 0.22 0.4024 0.9771 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 I01 compound treatment 0.244 -0.00396 -0.2 0.245 0.00332 0.17 -0.0171 -0.0659 1971779 ChemDiv1_002993 CCCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)c3cccc4ccccc34)c5ccccc5c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 I02 compound treatment 0.315 0.067 3.3 0.307 0.0653 3.36 4.7126 1.0 1971780 ChemDiv1_002994 COc1ccc(CCN/2C(=O)CC(S\C2=N/c3ccccc3)C(=O)Nc4ccccc4OC)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 I03 compound treatment 0.259 0.011 0.54 0.257 0.0153 0.79 0.9421 0.9835 1277715 ChemDiv1_002995 Cc1sc2nc(oc(=O)c2c1C)c3ccc(cc3)N4C(=O)CCC4=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 I04 compound treatment 0.262 0.014 0.69 0.258 0.0163 0.84 1.083 0.9953 1971781 ChemDiv1_002996 COC(=O)c1ccc(NC(=O)C2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c4ccccc4)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 I05 compound treatment 0.253 0.00504 0.25 0.254 0.0123 0.63 0.624 0.916 1210048 ChemDiv1_002997 COc1ccc(cc1OC)c2nc3c4c5CC(C)(C)NC(C)(C)c5sc4ncn3n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 I06 compound treatment 0.279 0.031 1.53 0.283 0.0413 2.13 2.5851 0.9869 1971782 ChemDiv1_002998 COc1ccc(CCN/2C(=O)CC(S\C2=N/c3ccccc3)C(=O)Nc4ccccc4)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 I07 compound treatment 0.291 0.043 2.12 0.296 0.0543 2.8 3.4763 0.9907 1971783 ChemDiv1_002999 COc1ccccc1NC(=O)C2CC(=O)N(Cc3ccc4OCOc4c3)/C(=N/c5ccc(F)cc5)/S2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 I08 compound treatment 0.259 0.011 0.54 0.256 0.0143 0.74 0.9057 0.9887 1971784 ChemDiv1_003000 COc1ccc(CCN/2C(=O)CC(S\C2=N/c3ccc(F)cc3)C(=O)Nc4ccc(cc4)C(=O)O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 I09 compound treatment 0.301 0.053 2.61 0.293 0.0513 2.64 3.7153 1.0 1971785 ChemDiv1_003001 COc1ccc(/N=C/2\SC(CC(=O)N2Cc3ccc4OCOc4c3)C(=O)Nc5ccccc5OC)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 I10 compound treatment 0.298 0.05 2.46 0.309 0.0673 3.47 4.1933 0.986 1971786 ChemDiv1_003002 OC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccccc3)/C(=N/c4ccc(Cl)cc4)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 I11 compound treatment 0.268 0.02 0.99 0.286 0.0443 2.28 2.3112 0.9297 1971787 ChemDiv1_003003 CCOC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3ccc(F)cc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 I12 compound treatment 0.256 0.00804 0.4 0.258 0.0163 0.84 0.874 0.941 1293063 ChemDiv1_003004 COc1ccccc1OCCN(C#N)c2nc(nc(n2)N(C)C)N(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 I13 compound treatment 0.29 0.042 2.07 0.287 0.0453 2.33 3.1138 0.9982 1971788 ChemDiv1_003005 CCOC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3ccc(C)c(Cl)c3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 I14 compound treatment 0.445 0.197 9.7 0.443 0.201 10.36 14.1908 0.9995 1642630 ChemDiv1_003006 CN1Cc2c(nc3sc(C(=O)c4ccccc4)c(N)c3c2CC1(C)C)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 I15 compound treatment 0.284 0.036 1.77 0.277 0.0353 1.82 2.5408 0.9999 1971789 ChemDiv1_003007 CCOC(=O)c1ccc(NC(=O)C2CC(=O)N(C)/C(=N\c3cccc(c3)C(F)(F)F)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 I16 compound treatment 0.265 0.017 0.84 0.271 0.0293 1.51 1.6607 0.9616 1971790 ChemDiv1_003008 Oc1ccc(cc1)N2C(=O)C3C(C4C3C5C=CC4C6C5C(=O)N(C6=O)c7ccc(O)cc7)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 I17 compound treatment 0.295 0.047 2.32 0.285 0.0433 2.23 3.2152 0.9998 1971791 ChemDiv1_003009 COc1ccccc1NC(=O)C2CC(=O)N(C)/C(=N\c3cccc(c3)C(F)(F)F)/S2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 I18 compound treatment 0.26 0.012 0.59 0.258 0.0163 0.84 1.0133 0.9854 1170886 ChemDiv1_003010 COC(=O)c1ccccc1NC(=O)CSc2nc3n(C)c(=O)n(C)c(=O)c3n2C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 I19 compound treatment 0.278 0.03 1.48 0.278 0.0363 1.87 2.3683 0.9933 1971792 ChemDiv1_003011 COC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3ccc(C)c(Cl)c3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 I20 compound treatment 0.362 0.114 5.62 0.369 0.127 6.55 8.6064 0.997 1971793 ChemDiv1_003012 FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)NCCCn3ccnc3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 I21 compound treatment 0.28 0.032 1.58 0.273 0.0313 1.61 2.2559 0.9999 1971794 ChemDiv1_003013 Fc1ccc(/N=C\2/SC(CC(=O)N2Cc3ccc4OCOc4c3)C(=O)Nc5ccccc5)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 I22 compound treatment 0.256 0.00804 0.4 0.254 0.0123 0.63 0.7284 0.9742 1971795 ChemDiv1_003014 COc1ccc(cc1OC)c2cc(n3nc(cc3n2)C(=O)Nc4cccc(c4)C(=O)C)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 I23 mock treatment 0.253 0.00504 0.25 0.252 0.0103 0.53 0.5511 0.9398 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 I24 mock treatment 0.258 0.01 0.49 0.246 0.00432 0.22 0.5069 0.9351 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 J01 compound treatment 0.238 -0.00996 -0.49 0.232 -0.00968 -0.5 -0.6993 -1.0 1971796 ChemDiv1_003015 COc1ccc(NC(=O)c2cnn3c(cc(nc23)c4cc(OC)c(OC)c(OC)c4)C(F)(F)F)c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 J02 compound treatment 0.288 0.04 1.97 0.29 0.0483 2.49 3.1534 0.9934 1971797 ChemDiv1_003016 Brc1ccc2[nH]c(=O)c(C3=NN(C(C3)c4ccccc4)C(=O)c5cccnc5)c(c6ccccc6)c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 J03 compound treatment 0.272 0.024 1.18 0.268 0.0263 1.36 1.7953 0.9977 1971798 ChemDiv1_003017 FC(F)(F)c1cc(nc2cc(nn12)C(=O)NCCN3CCOCC3)c4ccc5OCOc5c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 J04 compound treatment 0.263 0.015 0.74 0.249 0.00732 0.38 0.7902 0.9509 1971799 ChemDiv1_003018 COc1ccc2nc(NC(=O)CSc3nc4cc(ccc4[nH]3)[N+](=O)[O-])sc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 J05 compound treatment 0.256 0.00804 0.4 0.255 0.0133 0.69 0.7648 0.9659 1943197 ChemDiv1_003019 FC(F)(F)c1cc(nc2c(Cl)c(nn12)C(=O)N3CCN(Cc4ccccc4)CC3)c5ccco5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 J06 compound treatment 0.254 0.00604 0.3 0.257 0.0153 0.79 0.768 0.911 1634373 ChemDiv1_003020 CCOc1cc(cc(OCC)c1OCC)C(=O)Nc2ccc(O)c(c2)c3nc4ccccc4o3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 J07 compound treatment 0.289 0.041 2.02 0.284 0.0423 2.18 2.9698 0.9993 1943209 ChemDiv1_003021 COc1ccc(cc1)c2cc(n3nc(C(=O)N4CCOCC4)c(Cl)c3n2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 J08 compound treatment 0.295 0.047 2.32 0.285 0.0433 2.23 3.2152 0.9998 1396140 ChemDiv1_003022 Cc1ccc(cc1Cl)n2nc3ccc(NC(=O)c4ccc5OCCOc5c4)cc3n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 J09 compound treatment 0.351 0.103 5.07 0.347 0.105 5.42 7.4224 0.9995 1971800 ChemDiv1_003023 COc1ccc(cc1OC)c2cc(n3nc(C(=O)NCCCN4CCOCC4)c(Cl)c3n2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 J10 compound treatment 0.249 0.00104 0.05 0.252 0.0103 0.53 0.4118 0.7714 1945399 ChemDiv1_003024 CCc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)c(Br)c3)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 J11 compound treatment 0.273 0.025 1.23 0.282 0.0403 2.08 2.3398 0.9691 1232011 ChemDiv1_003025 COc1ccc(cc1)c2nc3cc(NC(=O)c4cc5ccccc5cc4OC)ccc3o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 J12 compound treatment 0.251 0.00304 0.15 0.255 0.0133 0.69 0.5907 0.8415 1945392 ChemDiv1_003026 COc1ccc(cc1)N2C(=O)/C(=C/c3ccc(OCC(=O)O)c(Br)c3)/C(=O)NC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 J13 compound treatment 0.254 0.00604 0.3 0.255 0.0133 0.69 0.6952 0.93 1623161 ChemDiv1_003027 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(OC)cc2)C(=O)Nc3ccc(cc3)C(=O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 J14 compound treatment 0.28 0.032 1.58 0.277 0.0353 1.82 2.4015 0.9975 1971801 ChemDiv1_003028 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cc(Cl)c(O)c(OC)c3)C(=O)CC(C2)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 J15 compound treatment 0.253 0.00504 0.25 0.251 0.00932 0.48 0.5147 0.9528 1971802 ChemDiv1_003029 CCOC(=O)C(C)OC(=O)C1=C(C)NC(=O)NC1c2cc(OC)c(OC)c(OC)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 J16 compound treatment 0.256 0.00804 0.4 0.267 0.0253 1.3 1.2017 0.882 1971803 ChemDiv1_003030 CCOC(=O)c1c(CN2CCC(CC2)(C(=O)OCC)c3ccccc3)n(c4ccccc4)c5cc(Br)c(O)cc15 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 J17 compound treatment 0.292 0.044 2.17 0.296 0.0543 2.8 3.5111 0.9921 1971804 ChemDiv1_003031 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4ccc(OC(=O)C)c(OC)c4)C(=O)OCCOc5ccccc5)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 J18 compound treatment 0.256 0.00804 0.4 0.257 0.0153 0.79 0.8376 0.9491 1300591 ChemDiv1_003032 COc1ccc(Nc2nc(Cl)nc(NCCN3CCOCC3)n2)c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 J19 compound treatment 0.341 0.093 4.58 0.33 0.0883 4.55 6.4553 1.0 1946093 ChemDiv1_003033 CCc1ccc(/C=C\2/SC(=S)N(CCC(=O)O)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 J20 compound treatment 0.252 0.00404 0.2 0.252 0.0103 0.53 0.5163 0.91 1971805 ChemDiv1_003034 O=C(CSc1nc2ccccc2o1)Nc3ccc4C(=O)c5ccccc5C(=O)c4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 J21 compound treatment 0.3 0.052 2.56 0.302 0.0603 3.11 4.0081 0.9955 1592777 ChemDiv1_003035 COc1ccc(cc1)C2CC(=NN2S(=O)(=O)c3ccccc3)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 J22 compound treatment 0.248 3.57E-5 0.0 0.24 -0.00168 -0.09 -0.0598 -0.6926 1711243 ChemDiv1_003036 Cn1cnnc1SCC(=O)N2c3ccccc3C(C)(CC2(C)C)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 J23 mock treatment 0.245 -0.00296 -0.15 0.248 0.00632 0.33 0.1269 0.3558 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 J24 mock treatment 0.253 0.00504 0.25 0.243 0.00132 0.07 0.2235 0.8691 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 K01 compound treatment 0.246 -0.00196 -0.1 0.227 -0.0147 -0.76 -0.6027 -0.7912 1971806 ChemDiv1_003037 CCCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)c3cccc(c3)[N+](=O)[O-])c4ccccc4c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 K02 compound treatment 0.3 0.052 2.56 0.296 0.0543 2.8 3.7897 0.9991 1971807 ChemDiv1_003038 Fc1ccc(NC(=O)C2CC(=O)N(Cc3ccc4OCOc4c3)/C(=N/c5ccccc5)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 K03 compound treatment 0.263 0.015 0.74 0.264 0.0223 1.15 1.3362 0.9774 1672455 ChemDiv1_003039 O=C1CCC(=O)N1c2ccc(cc2)c3nc4scc(c5cccs5)c4c(=O)o3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 K04 compound treatment 0.267 0.019 0.94 0.268 0.0263 1.36 1.6212 0.9838 1971808 ChemDiv1_003040 COc1ccc(CN/2C(=O)CC(S\C2=N/c3ccccc3)C(=O)Nc4ccc(cc4)C(=O)O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 K05 compound treatment 0.253 0.00504 0.25 0.255 0.0133 0.69 0.6604 0.9054 1474583 ChemDiv1_003041 COc1ccc(Cc2nc3c4c5CCCCc5sc4ncn3n2)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 K06 compound treatment 0.284 0.036 1.77 0.29 0.0483 2.49 3.0141 0.9863 1971809 ChemDiv1_003042 COc1ccc(CCN/2C(=O)CC(S\C2=N/c3ccccc3)C(=O)Nc4ccc(cc4)C(=O)O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 K07 compound treatment 0.275 0.027 1.33 0.279 0.0373 1.92 2.3002 0.984 1971810 ChemDiv1_003043 Fc1ccc(/N=C/2\SC(CC(=O)N2Cc3ccc4OCOc4c3)C(=O)NCCc5ccccc5)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 K08 compound treatment 0.265 0.017 0.84 0.272 0.0303 1.56 1.6971 0.9576 1971811 ChemDiv1_003044 COc1ccc(NC(=O)C2CC(=O)N(C)/C(=N/c3cccc(c3)C(F)(F)F)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 K09 compound treatment 0.276 0.028 1.38 0.282 0.0403 2.08 2.4442 0.9804 1971812 ChemDiv1_003045 CCOc1ccc(NC(=O)C2CC(=O)N(Cc3ccc4OCOc4c3)/C(=N/c5ccc(OC)cc5)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 K10 compound treatment 0.275 0.027 1.33 0.288 0.0463 2.38 2.6278 0.9621 1971813 ChemDiv1_003046 CCOc1ccc(/N=C/2\SC(CC(=O)N2Cc3ccc4OCOc4c3)C(=O)Nc5ccc(cc5)C(=O)O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 K11 compound treatment 0.276 0.028 1.38 0.279 0.0373 1.92 2.335 0.9869 1971814 ChemDiv1_003047 CCOC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3ccccc3OC)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 K12 compound treatment 0.259 0.011 0.54 0.26 0.0183 0.94 1.0513 0.9657 1711103 ChemDiv1_003048 CC(=O)Nc1ccc(cc1)S(=O)(=O)N(C#N)c2nc(C)cc(C)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 K13 compound treatment 0.271 0.023 1.13 0.299 0.0573 2.95 2.8889 0.9138 1971815 ChemDiv1_003049 COC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)NCCc3ccccc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 K14 compound treatment 0.258 0.01 0.49 0.257 0.0153 0.79 0.9073 0.9747 1562270 ChemDiv1_003050 CC(=C)CSc1nc(N2CCOCC2)c3COC(C)(C)Cc3c1C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 K15 compound treatment 0.287 0.039 1.92 0.283 0.0413 2.13 2.8637 0.9987 1971816 ChemDiv1_003051 CCOC(=O)c1ccc(NC(=O)C2CC(=O)N(C)/C(=N\c3ccc(C)c(C)c3)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 K16 compound treatment 0.258 0.01 0.49 0.269 0.0273 1.41 1.3441 0.9015 1163881 ChemDiv1_003052 COc1ccc(cc1)n2c(SCC#N)nc3sc4CCCCc4c3c2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 K17 compound treatment 0.29 0.042 2.07 0.289 0.0473 2.44 3.1866 0.9967 1971817 ChemDiv1_003053 CCOc1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3cccc(Cl)c3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 K18 compound treatment 0.264 0.016 0.79 0.262 0.0203 1.05 1.2983 0.9904 1776162 ChemDiv1_003054 Cc1c(Br)c(nn1CC(=O)N2CCN(Cc3ccccc3)CC2)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 K19 compound treatment 0.292 0.044 2.17 0.289 0.0473 2.44 3.2563 0.9983 1971818 ChemDiv1_003055 CCOc1ccc(/N=C/2\SC(CC(=O)N2Cc3ccc4OCOc4c3)C(=O)Nc5ccc(F)cc5)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 K20 compound treatment 0.279 0.031 1.53 0.276 0.0343 1.77 2.3303 0.9974 1483873 ChemDiv1_003056 CCOc1ccc(cc1)c2cc(C)n3nc(cc3n2)C(=O)Nc4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 K21 compound treatment 0.277 0.029 1.43 0.279 0.0373 1.92 2.3699 0.9894 1971819 ChemDiv1_003057 COC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccc4OCOc4c3)/C(=N/c5ccc(F)cc5)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 K22 compound treatment 0.257 0.00904 0.45 0.254 0.0123 0.63 0.7633 0.985 1971820 ChemDiv1_003058 COc1cc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccc(OC)c(OC)c4)cc(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 K23 mock treatment 0.251 0.00304 0.15 0.251 0.00932 0.48 0.4451 0.8854 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 K24 mock treatment 0.256 0.00804 0.4 0.24 -0.00168 -0.09 0.2188 0.5401 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 L01 compound treatment 0.249 0.00104 0.05 0.226 -0.0157 -0.81 -0.5346 -0.6611 1971821 ChemDiv1_003059 COc1cc(cc(OC)c1OC)c2cc(n3ncc(C(=O)Nc4ccc(O)cc4)c3n2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 L02 compound treatment 0.281 0.033 1.63 0.289 0.0473 2.44 2.8732 0.9807 1694032 ChemDiv1_003060 COc1ccccc1C2CC(=NN2C(=O)c3ccco3)c4c(c5ccccc5)c6cc(Br)ccc6[nH]c4=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 L03 compound treatment 0.27 0.022 1.09 0.266 0.0243 1.25 1.6528 0.9975 1971822 ChemDiv1_003061 Cc1c(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccc5OCOc5c4)c(=O)n(c6ccccc6)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 L04 compound treatment 0.264 0.016 0.79 0.264 0.0223 1.15 1.3711 0.9833 1971823 ChemDiv1_003062 COc1ccc(CNC(=O)CSc2nc3cc(ccc3[nH]2)[N+](=O)[O-])cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 L05 compound treatment 0.379 0.131 6.45 0.363 0.121 6.25 8.98 0.9999 1971824 ChemDiv1_003063 FC(F)(F)c1cc(nc2c(Cl)c(nn12)C(=O)NCCCn3ccnc3)c4ccco4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 L06 compound treatment 0.255 0.00704 0.35 0.255 0.0133 0.69 0.73 0.95 1147098 ChemDiv1_003064 Cc1ccc2oc(nc2c1)c3ccc(NC(=O)c4ccc5OCCOc5c4)cc3O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 L07 compound treatment 0.26 0.012 0.59 0.259 0.0173 0.89 1.0498 0.9803 1943146 ChemDiv1_003065 COc1ccc(cc1)c2cc(n3nc(C(=O)NCCN4CCOCC4)c(Cl)c3n2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 L08 compound treatment 0.258 0.01 0.49 0.258 0.0163 0.84 0.9437 0.968 1522461 ChemDiv1_003066 CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 L09 compound treatment 0.303 0.055 2.71 0.307 0.0653 3.36 4.2946 0.9943 1971825 ChemDiv1_003067 COc1ccc(cc1OC)c2cc(n3nc(C(=O)N4CCSCC4)c(Cl)c3n2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 L10 compound treatment 0.254 0.00604 0.3 0.252 0.0103 0.53 0.586 0.9623 1971826 ChemDiv1_003068 OC(=O)COc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(F)cc3)cc1Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 L11 compound treatment 0.267 0.019 0.94 0.265 0.0233 1.2 1.512 0.9925 1780660 ChemDiv1_003069 Oc1cc(NC(=O)c2ccc(Cl)c(c2)[N+](=O)[O-])ccc1c3nc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 L12 compound treatment 0.264 0.016 0.79 0.26 0.0183 0.94 1.2255 0.9961 1207581 ChemDiv1_003070 CCOC(=O)c1c(C)c(sc1NC(=O)COc2ccc(Cl)cc2)C(=O)Nc3ccc(cc3)C(=O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 L13 compound treatment 0.284 0.036 1.77 0.273 0.0313 1.61 2.3952 0.9989 1971827 ChemDiv1_003071 CN1C(=C(C(NC1=O)c2ccc(Br)s2)C(=O)OCc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 L14 compound treatment 0.298 0.05 2.46 0.303 0.0613 3.16 3.9749 0.9925 1971828 ChemDiv1_003072 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cccc(c3)[N+](=O)[O-])C(=O)CC(C2)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 L15 compound treatment 0.259 0.011 0.54 0.258 0.0163 0.84 0.9785 0.9778 1568329 ChemDiv1_003073 CCOC(=O)c1c(C)c(sc1NC(=O)COc2ccc(Cl)cc2)C(=O)Nc3ccc(OC)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 L16 compound treatment 0.288 0.04 1.97 0.294 0.0523 2.69 3.299 0.9882 1570991 ChemDiv1_003074 CCOC(=O)c1c(CN2CCN(CC2)c3ccccc3)n(C)c4cc(Br)c(OC)cc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 L17 compound treatment 0.285 0.037 1.82 0.288 0.0463 2.38 2.9761 0.9912 1496075 ChemDiv1_003075 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4ccc(OC)c(OC)c4)C(=O)OCC(C)C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 L18 compound treatment 0.267 0.019 0.94 0.27 0.0283 1.46 1.694 0.9772 1305028 ChemDiv1_003076 COc1ccc(Nc2nc(Cl)nc(NCc3ccco3)n2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 L19 compound treatment 0.301 0.053 2.61 0.302 0.0603 3.11 4.043 0.9963 1971829 ChemDiv1_003077 COc1ccccc1C2CC(=NN2C(=O)C)c3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 L20 compound treatment 0.255 0.00704 0.35 0.257 0.0153 0.79 0.8028 0.9318 1971830 ChemDiv1_003078 O=C1C2C(C3C2C4C=CC3C5C4C(=O)N(C6CCCCC6)C5=O)C(=O)N1C7CCCCC7 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 L21 compound treatment 0.267 0.019 0.94 0.266 0.0243 1.25 1.5484 0.9898 1971831 ChemDiv1_003079 OC(=O)CCC(=O)N1N=C(CC1c2ccccc2Cl)c3ccc(cc3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 L22 compound treatment 0.256 0.00804 0.4 0.256 0.0143 0.74 0.8012 0.9574 1971832 ChemDiv1_003080 CC1(CN2CC3(C)CN(C1)C24C(=O)Nc5ccccc54)C3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 L23 mock treatment 0.247 -9.64E-4 -0.05 0.248 0.00632 0.33 0.1966 0.5976 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 L24 mock treatment 0.253 0.00504 0.25 0.242 3.23E-4 0.02 0.1871 0.7528 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 M01 compound treatment 0.233 -0.015 -0.74 0.242 3.23E-4 0.02 -0.5094 -0.691 1971833 ChemDiv1_003081 CCCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)c3cccc(Cl)c3)c4ccccc4c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 M02 compound treatment 0.286 0.038 1.87 0.284 0.0423 2.18 2.8653 0.9972 1971834 ChemDiv1_003082 COc1ccc(CN/2C(=O)CC(S\C2=N/c3ccccc3)C(=O)Nc4ccc(OC)cc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 M03 compound treatment 0.255 0.00704 0.35 0.256 0.0143 0.74 0.7664 0.9407 1971835 ChemDiv1_003083 COc1ccc(/C=C/c2nc3scc(c4cccs4)c3c(=O)o2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 M04 compound treatment 0.292 0.044 2.17 0.285 0.0433 2.23 3.1107 0.9999 1971836 ChemDiv1_003084 COc1ccccc1NC(=O)C2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c4ccccc4)/S2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 M05 compound treatment 0.248 3.57E-5 0.0 0.25 0.00832 0.43 0.3042 0.71 1262178 ChemDiv1_003085 COc1ccc(Cc2nc3c4c5CC(C)(C)NC(C)(C)c5sc4ncn3n2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 M06 compound treatment 0.257 0.00904 0.45 0.268 0.0263 1.36 1.2729 0.8924 1971837 ChemDiv1_003086 CN/1C(=O)CC(S\C1=N/c2cccc(c2)C(F)(F)F)C(=O)Nc3ccccc3F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 M07 compound treatment 0.286 0.038 1.87 0.291 0.0493 2.54 3.1201 0.9888 1971838 ChemDiv1_003087 CCOC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c4ccccc4)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 M08 compound treatment 0.285 0.037 1.82 0.296 0.0543 2.8 3.2673 0.9786 1971839 ChemDiv1_003088 OC(=O)c1ccc(NC(=O)C2CC(=O)N(CCc3ccccc3)/C(=N/c4ccccc4)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 M09 compound treatment 0.258 0.01 0.49 0.263 0.0213 1.1 1.1257 0.9351 1971840 ChemDiv1_003089 COc1ccc(/N=C/2\SC(CC(=O)N2Cc3ccc4OCOc4c3)C(=O)NCCc5ccccc5)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 M10 compound treatment 0.275 0.027 1.33 0.266 0.0243 1.25 1.827 0.9995 1971841 ChemDiv1_003090 CCOc1ccc(/N=C/2\SC(CC(=O)N2Cc3ccc4OCOc4c3)C(=O)Nc5ccccc5)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 M11 compound treatment 0.297 0.049 2.42 0.289 0.0473 2.44 3.4304 1.0 1971842 ChemDiv1_003091 CCOC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3ccc(OCC)cc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 M12 compound treatment 0.292 0.044 2.17 0.285 0.0433 2.23 3.1107 0.9999 1714667 ChemDiv1_003092 CCOC(=O)CSc1nc2-c3ccccc3CC4(CCCC4)c2c(=O)n1c5ccc(C)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 M13 compound treatment 0.241 -0.00696 -0.34 0.25 0.00832 0.43 0.0604 0.1101 1971843 ChemDiv1_003093 CN/1C(=O)CC(S\C1=N\c2cccc(c2)C(F)(F)F)C(=O)NCCc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 M14 compound treatment 0.297 0.049 2.42 0.299 0.0573 2.95 3.7944 0.9951 1413010 ChemDiv1_003094 COC(=O)c1ccc(o1)c2sc3nc(N4CCOCC4)c5COC(C)(C)Cc5c3c2N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 M15 compound treatment 0.284 0.036 1.77 0.276 0.0343 1.77 2.5044 1.0 1971844 ChemDiv1_003095 CCOC(=O)c1ccc(NC(=O)C2CC(=O)N(C)/C(=N\c3ccc(C)c(Cl)c3)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 M16 compound treatment 0.246 -0.00196 -0.1 0.25 0.00832 0.43 0.2346 0.534 1971845 ChemDiv1_003096 CCNc1nc(NCC)nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 M17 compound treatment 0.284 0.036 1.77 0.285 0.0433 2.23 2.8321 0.9936 1971846 ChemDiv1_003097 COC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3cccc(Cl)c3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 M18 compound treatment 0.265 0.017 0.84 0.268 0.0263 1.36 1.5515 0.9734 1971847 ChemDiv1_003098 Cc1cc(nn1CC(=O)Nc2cc(Oc3cccnc3)cc(c2)[N+](=O)[O-])C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 M19 compound treatment 0.267 0.019 0.94 0.272 0.0303 1.56 1.7668 0.9702 1971848 ChemDiv1_003099 CCOc1ccc(/N=C/2\SC(CC(=O)N2Cc3ccc4OCOc4c3)C(=O)Nc5ccc(cc5)C(=O)OC)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 M20 compound treatment 0.251 0.00304 0.15 0.25 0.00832 0.43 0.4087 0.9006 1253275 ChemDiv1_003100 CCOc1ccc(cc1)c2cc(C)n3nc(cc3n2)C(=O)Nc4cc(OC)c(Cl)cc4OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 M21 compound treatment 0.267 0.019 0.94 0.271 0.0293 1.51 1.7304 0.9738 1971849 ChemDiv1_003101 OC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccc4OCOc4c3)/C(=N/c5ccc(Cl)cc5)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 M22 compound treatment 0.248 3.57E-5 0.0 0.249 0.00732 0.38 0.2678 0.7104 1971850 ChemDiv1_003102 COc1ccc(cc1)c2cc(n3nc(cc3n2)C(=O)Nc4ccc(cc4)C(=O)C)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 M23 mock treatment 0.246 -0.00196 -0.1 0.248 0.00632 0.33 0.1617 0.4763 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 M24 mock treatment 0.251 0.00304 0.15 0.234 -0.00768 -0.4 -0.1738 -0.4112 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 N01 compound treatment 0.248 3.57E-5 0.0 0.22 -0.0217 -1.12 -0.7879 -0.706 1971851 ChemDiv1_003103 COc1cc(cc(OC)c1OC)c2cc(n3ncc(C(=O)NCc4cccs4)c3n2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 N02 compound treatment 0.24 -0.00796 -0.39 0.236 -0.00568 -0.29 -0.484 -0.9895 1971852 ChemDiv1_003104 FC(F)(F)c1ccccc1NC(=O)CSc2nc3ccccc3[nH]2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 N03 compound treatment 0.251 0.00304 0.15 0.248 0.00632 0.33 0.3359 0.9377 1971853 ChemDiv1_003105 FC(F)(F)c1cc(nc2cc(nn12)C(=O)NCCCN3CCOCC3)c4ccc(Cl)c(Cl)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 N04 compound treatment 0.277 0.029 1.43 0.271 0.0293 1.51 2.0786 0.9996 1650975 ChemDiv1_003106 CCOc1ccc2nc(SCC(=O)Nc3ccccc3C(=O)N)sc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 N05 compound treatment 0.275 0.027 1.33 0.276 0.0343 1.77 2.191 0.9903 1971854 ChemDiv1_003107 COc1ccc(CNC(=O)c2nn3c(cc(nc3c2Cl)c4ccco4)C(F)(F)F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 N06 compound treatment 0.269 0.021 1.04 0.268 0.0263 1.36 1.6908 0.9912 1328501 ChemDiv1_003108 CCOc1ccc2nc(NC(=O)c3ccc4OCCOc4c3)sc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 N07 compound treatment 0.269 0.021 1.04 0.271 0.0293 1.51 1.8 0.9831 1943244 ChemDiv1_003109 CN1CCN(CC1)C(=O)c2nn3c(cc(nc3c2Cl)c4ccc(Cl)cc4)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 N08 compound treatment 0.258 0.01 0.49 0.276 0.0343 1.77 1.5989 0.8715 1382091 ChemDiv1_003110 COc1cc(OC)cc(c1)C(=O)Nc2ccc3oc(nc3c2)c4ccc(OC)c(Br)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 N09 compound treatment 0.254 0.00604 0.3 0.248 0.00632 0.33 0.4404 0.999 1971855 ChemDiv1_003111 COc1ccc(cc1OC)c2cc(n3nc(C(=O)N4CCCC4)c(Cl)c3n2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 N10 compound treatment 0.25 0.00204 0.1 0.249 0.00732 0.38 0.3375 0.8651 1945434 ChemDiv1_003112 COc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)c(Br)c3)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 N11 compound treatment 0.252 0.00404 0.2 0.245 0.00332 0.17 0.2615 0.9972 1971856 ChemDiv1_003113 [O-][N+](=O)c1ccc(COc2ccc(Br)cc2/C=C/3\NC(=S)NC3=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 N12 compound treatment 0.277 0.029 1.43 0.272 0.0303 1.56 2.115 0.999 1194306 ChemDiv1_003114 CCOC(=O)c1c(C)c(sc1NC(=O)Cc2cccs2)C(=O)Nc3ccc(cc3)C(=O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 N13 compound treatment 0.295 0.047 2.32 0.297 0.0553 2.85 3.652 0.9947 1204119 ChemDiv1_003115 COc1cc(cc(OC)c1OC)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc(Cl)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 N14 compound treatment 0.294 0.046 2.27 0.297 0.0553 2.85 3.6172 0.9936 1971857 ChemDiv1_003116 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cccc(OC)c3)C(=O)CC(C2)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 N15 compound treatment 0.248 3.57E-5 0.0 0.252 0.0103 0.53 0.377 0.7094 1784056 ChemDiv1_003117 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(C)c(c2)[N+](=O)[O-])C(=O)Nc3ccc(OC)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 N16 compound treatment 0.275 0.027 1.33 0.281 0.0393 2.02 2.373 0.9794 1137308 ChemDiv1_003118 CCOC(=O)c1c(CN2CCN(Cc3ccccc3)CC2)n(C)c4cc(Br)c(OC)cc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 N17 compound treatment 0.264 0.016 0.79 0.265 0.0233 1.2 1.4075 0.9794 1864258 ChemDiv1_003119 COC(=O)c1c(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc4CC(C)CCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 N18 compound treatment 0.249 0.00104 0.05 0.25 0.00832 0.43 0.339 0.7857 1566688 ChemDiv1_003120 C(Nc1nc(nc(n1)N2CCOCC2)N3CCOCC3)c4ccco4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 N19 compound treatment 0.251 0.00304 0.15 0.252 0.0103 0.53 0.4815 0.8722 1646510 ChemDiv1_003121 COc1ccc(cc1)C2=NN(C(C2)c3ccccc3)C(=O)CCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 N20 compound treatment 0.252 0.00404 0.2 0.25 0.00832 0.43 0.4435 0.939 1971858 ChemDiv1_003122 O=C1C2C(C3C2C4C=CC3C5C4C(=O)N(C5=O)c6ccccn6)C(=O)N1c7ccccn7 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 N21 compound treatment 0.243 -0.00496 -0.24 0.246 0.00432 0.22 -0.0155 -0.047 1971859 ChemDiv1_003123 COc1ccccc1C2CC(=NN2C(=O)C)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 N22 compound treatment 0.243 -0.00496 -0.24 0.249 0.00732 0.38 0.0937 0.2085 1971860 ChemDiv1_003124 COc1cc(cc(OC)c1OC)C2C(=C(N)Oc3c2c(C)nn3c4ccccc4)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 N23 mock treatment 0.251 0.00304 0.15 0.25 0.00832 0.43 0.4087 0.9006 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 N24 mock treatment 0.254 0.00604 0.3 0.229 -0.0127 -0.65 -0.2513 -0.3504 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 O01 compound treatment 0.21 -0.038 -1.87 0.215 -0.0267 -1.37 -2.2933 -0.9885 1616099 ChemDiv1_003125 CCCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)c3ccccc3F)c4ccccc4c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 O02 compound treatment 0.256 0.00804 0.4 0.246 0.00432 0.22 0.4372 0.9629 1971861 ChemDiv1_003126 COc1ccccc1NC(=O)C2CC(=O)N(Cc3ccc4OCOc4c3)/C(=N/c5ccccc5)/S2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 O03 compound treatment 0.25 0.00204 0.1 0.248 0.00632 0.33 0.3011 0.8839 1944231 ChemDiv1_003127 COc1ccc(/C=C/c2nc3sc4CCCCc4c3c(=O)o2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 O04 compound treatment 0.253 0.00504 0.25 0.249 0.00732 0.38 0.4419 0.9794 1971862 ChemDiv1_003128 COc1ccc(NC(=O)C2CC(=O)N(Cc3ccc4OCOc4c3)/C(=N/c5ccccc5)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 O05 compound treatment 0.264 0.016 0.79 0.261 0.0193 0.99 1.2619 0.9935 1209043 ChemDiv1_003129 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3cc4OCOc4cc3Br)C(=O)OCC5CCCO5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 O06 compound treatment 0.257 0.00904 0.45 0.257 0.0153 0.79 0.8725 0.9633 1971863 ChemDiv1_003130 COC(=O)c1ccc(NC(=O)C2CC(=O)N(C)/C(=N\c3ccc4OCOc4c3)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 O07 compound treatment 0.292 0.044 2.17 0.29 0.0483 2.49 3.2927 0.9977 1971864 ChemDiv1_003131 CCOC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccccc3)/C(=N/c4ccccc4)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 O08 compound treatment 0.262 0.014 0.69 0.261 0.0193 0.99 1.1922 0.9842 1971865 ChemDiv1_003132 CCOc1ccc(/N=C/2\SC(CC(=O)N2C)C(=O)Nc3ccc(cc3)C(=O)O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 O09 compound treatment 0.298 0.05 2.46 0.3 0.0583 3.0 3.8657 0.9952 1971866 ChemDiv1_003133 CCOc1cccc(NC(=O)C2CC(=O)N(Cc3ccc4OCOc4c3)/C(=N/c5ccc(OC)cc5)/S2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 O10 compound treatment 0.247 -9.64E-4 -0.05 0.248 0.00632 0.33 0.1966 0.5976 1971867 ChemDiv1_003134 [O-][N+](=O)c1ccc(cc1)C(=O)Oc2ccc(cc2)N3C(=O)C4C5CC(C=C5)C4C3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 O11 compound treatment 0.267 0.019 0.94 0.265 0.0233 1.2 1.512 0.9925 1971868 ChemDiv1_003135 CCOC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)NCCc3ccccc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 O12 compound treatment 0.25 0.00204 0.1 0.248 0.00632 0.33 0.3011 0.8839 1570697 ChemDiv1_003136 CCSc1nc2-c3ccccc3CC4(CCCC4)c2c(=O)n1c5ccc(OC)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 O13 compound treatment 0.284 0.036 1.77 0.293 0.0513 2.64 3.1233 0.9813 1971869 ChemDiv1_003137 CCOC(=O)c1ccc(NC(=O)C2CC(=O)N(C)/C(=N\c3ccc(OC)cc3)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 O14 compound treatment 0.251 0.00304 0.15 0.251 0.00932 0.48 0.4451 0.8854 1186933 ChemDiv1_003138 CN1C(=O)C(O)(C2COC(C)(C)CC2=O)c3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 O15 compound treatment 0.263 0.015 0.74 0.259 0.0173 0.89 1.1542 0.9957 1971870 ChemDiv1_003139 CCOc1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3cccc(OCC)c3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 O16 compound treatment 0.249 0.00104 0.05 0.255 0.0133 0.69 0.521 0.7576 1971871 ChemDiv1_003140 CN(C)c1nc(nc(n1)N2CC(=O)N(C2=N)c3ccc(Cl)c(Cl)c3)N(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 O17 compound treatment 0.285 0.037 1.82 0.292 0.0503 2.59 3.1217 0.9853 1971872 ChemDiv1_003141 CN/1C(=O)CC(S\C1=N\c2cccc(c2)C(F)(F)F)C(=O)Nc3cccc(Cl)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 O18 compound treatment 0.241 -0.00696 -0.34 0.243 0.00132 0.07 -0.1944 -0.5559 1971873 ChemDiv1_003142 COc1cc(NC(=O)Cn2nc(c(Br)c2C)C(F)(F)F)cc(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 O19 compound treatment 0.248 3.57E-5 0.0 0.247 0.00532 0.27 0.195 0.7116 1971874 ChemDiv1_003143 CCOc1ccc(/N=C\2/SC(CC(=O)N2CCc3ccc(OC)c(OC)c3)C(=O)O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 O20 compound treatment 0.262 0.014 0.69 0.263 0.0213 1.1 1.265 0.9752 1971875 ChemDiv1_003144 COc1ccc(cc1OC)c2cc(n3nc(cc3n2)C(=O)NCc4ccco4)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 O21 compound treatment 0.281 0.033 1.63 0.273 0.0313 1.61 2.2908 1.0 1971876 ChemDiv1_003145 COc1ccc(NC(=O)C2CC(=O)N(Cc3ccccc3)/C(=N/c4ccc(F)cc4)/S2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 O22 compound treatment 0.25 0.00204 0.1 0.251 0.00932 0.48 0.4103 0.8368 1971877 ChemDiv1_003146 COc1ccc(CNC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccc(OC)cc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 O23 mock treatment 0.253 0.00504 0.25 0.244 0.00232 0.12 0.2599 0.944 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 O24 mock treatment 0.226 -0.022 -1.08 0.222 -0.0197 -1.01 -1.4813 -0.9995 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 P01 compound treatment 0.211 -0.037 -1.82 0.208 -0.0337 -1.73 -2.5133 -0.9997 1971878 ChemDiv1_003147 COc1cc(cc(OC)c1OC)c2cc(n3ncc(C(=O)N4CCN(Cc5ccccc5)CC4)c3n2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 P02 compound treatment 0.26 0.012 0.59 0.256 0.0143 0.74 0.9405 0.9941 1516943 ChemDiv1_003148 COc1ccc2nc(NC(=O)CSc3nc4ccccc4[nH]3)sc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 P03 compound treatment 0.245 -0.00296 -0.15 0.245 0.00332 0.17 0.0177 0.0788 1971879 ChemDiv1_003149 FC(F)(F)c1c2CCc3ccccc3-c2nc4cc(nn14)C(=O)NCCCn5ccnc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 P04 compound treatment 0.249 0.00104 0.05 0.251 0.00932 0.48 0.3754 0.7779 1374030 ChemDiv1_003150 CCOc1ccc2nc(SCC(=O)Nc3cccc(c3)C(=O)O)sc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 P05 compound treatment 0.251 0.00304 0.15 0.253 0.0113 0.58 0.5179 0.8606 1971880 ChemDiv1_003151 Cc1c(NC(=O)c2nn3c(cc(nc3c2Cl)c4ccco4)C(F)(F)F)c(=O)n(c5ccccc5)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 P06 compound treatment 0.267 0.019 0.94 0.264 0.0223 1.15 1.4756 0.9949 1615130 ChemDiv1_003152 O=C(Nc1ccc2c(c1)oc3ccccc32)c4ccc5OCCOc5c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 P07 compound treatment 0.245 -0.00296 -0.15 0.246 0.00432 0.22 0.0541 0.2033 1971881 ChemDiv1_003153 FC(F)(F)c1cc(nc2c(Cl)c(nn12)C(=O)NCCCN3CCOCC3)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 P08 compound treatment 0.248 3.57E-5 0.0 0.239 -0.00268 -0.14 -0.0962 -0.698 1971882 ChemDiv1_003154 OC(=O)c1ccc(COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Br)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 P09 compound treatment 0.25 0.00204 0.1 0.248 0.00632 0.33 0.3011 0.8839 1971883 ChemDiv1_003155 COc1ccc(cc1OC)c2cc(n3nc(C(=O)NCC4CCCO4)c(Cl)c3n2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 P10 compound treatment 0.241 -0.00696 -0.34 0.237 -0.00468 -0.24 -0.4128 -0.985 1945432 ChemDiv1_003156 CCOc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)c(Br)c3)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 P11 compound treatment 0.295 0.047 2.32 0.287 0.0453 2.33 3.288 1.0 1971884 ChemDiv1_003157 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4ccc5OCOc5c4)C(=O)OCCOc6ccccc6)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 P12 compound treatment 0.247 -9.64E-4 -0.05 0.24 -0.00168 -0.09 -0.0946 -0.9603 1784060 ChemDiv1_003158 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(C)c(c2)[N+](=O)[O-])C(=O)Nc3ccc(cc3)C(=O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 P13 compound treatment 0.246 -0.00196 -0.1 0.243 0.00132 0.07 -0.0203 -0.1713 1593304 ChemDiv1_003159 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccccc2F)C(=O)Nc3ccc(cc3)C(=O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 P14 compound treatment 0.264 0.016 0.79 0.256 0.0143 0.74 1.0799 0.9994 1971885 ChemDiv1_003160 CCOCCOC(=O)C1=C(C)NC2=C(C1c3ccc(cc3)N(CC)CC)C(=O)CC(C2)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 P15 compound treatment 0.243 -0.00496 -0.24 0.245 0.00332 0.17 -0.0519 -0.1741 1971886 ChemDiv1_003161 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3Br)C(=O)CC(C2)c5ccc(Cl)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 P16 compound treatment 0.288 0.04 1.97 0.293 0.0513 2.64 3.2626 0.9896 1739355 ChemDiv1_003162 CCOC(=O)c1c(CSc2ccccc2)n(c3ccccc3)c4ccc(O)c(CN(C)C)c14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 P17 compound treatment 0.254 0.00604 0.3 0.246 0.00432 0.22 0.3676 0.9898 1460769 ChemDiv1_003163 COC(=O)C1CCc2sc(NC(=O)CCN3C(=O)c4ccccc4C3=O)c(C(=O)OC)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 P18 compound treatment 0.242 -0.00596 -0.29 0.245 0.00332 0.17 -0.0868 -0.2553 1733388 ChemDiv1_003164 COc1ccc(Nc2nc(Cl)nc(NC3CCCC3)n2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 P19 compound treatment 0.245 -0.00296 -0.15 0.248 0.00632 0.33 0.1269 0.3558 1947343 ChemDiv1_003165 COc1ccc(cc1)C2=NN(C(C2)c3cccc(c3)[N+](=O)[O-])C(=O)CCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 P20 compound treatment 0.242 -0.00596 -0.29 0.235 -0.00668 -0.34 -0.4508 -0.9969 1946374 ChemDiv1_003166 CC1(C)Cc2c(CO1)sc3nc(oc(=O)c23)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 P21 compound treatment 0.239 -0.00896 -0.44 0.234 -0.00768 -0.4 -0.5917 -0.9985 1923870 ChemDiv1_003167 COc1ccccc1C2CC(=NN2C(=O)CCC(=O)O)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 P22 compound treatment 0.239 -0.00896 -0.44 0.231 -0.0107 -0.55 -0.7009 -0.9941 1971887 ChemDiv1_003168 COc1ccc(OCCSc2nc3ccccc3n2CC(=O)N)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 P23 mock treatment 0.231 -0.017 -0.84 0.23 -0.0117 -0.6 -1.0159 -0.987 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.595 P24 mock treatment 0.207 -0.041 -2.02 0.207 -0.0347 -1.79 -2.689 -0.9981 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 A01 compound treatment 0.196 -0.024 -1.18 0.174 -0.0726 -3.74 -3.4782 -0.8874 1971888 ChemDiv1_003169 CN(C)c1ccc(cc1[N+](=O)[O-])C2CC(=NN2C(=O)c3ccc(F)cc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 A02 compound treatment 0.211 -0.009 -0.44 0.228 -0.0186 -0.96 -0.99 -0.9388 1971889 ChemDiv1_003170 Brc1ccc2NC(=O)/C(=C\3/S/C(=N\S(=O)(=O)c4ccccc4)/NC3=O)/c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 A03 compound treatment 0.188 -0.032 -1.58 0.204 -0.0426 -2.19 -2.6647 -0.9869 1320513 ChemDiv1_003171 COc1ccc(cc1)c2cc(C(=O)N3CCN(CC3)c4ccccc4OC)c5ccccc5n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 A04 compound treatment 0.187 -0.033 -1.63 0.208 -0.0386 -1.99 -2.5539 -0.995 1971890 ChemDiv1_003172 O=c1c2ccccc2c(=O)c3c4[nH]c5ccccc5oc4cc(NCc6ccccc6)c13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 A05 compound treatment 0.185 -0.035 -1.72 0.213 -0.0336 -1.73 -2.4416 -1.0 1579877 ChemDiv1_003173 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(OC)c3OC)c(=O)n2C1c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 A06 compound treatment 0.18 -0.04 -1.97 0.206 -0.0406 -2.09 -2.8705 -0.9996 1971891 ChemDiv1_003174 COc1ccc2nc(Nc3nc(O)cc(n3)c4ccccc4)nc(C)c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 A07 compound treatment 0.185 -0.035 -1.72 0.212 -0.0346 -1.78 -2.478 -0.9999 1946104 ChemDiv1_003175 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc3ccc(cc3)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 A08 compound treatment 0.177 -0.043 -2.12 0.2 -0.0466 -2.4 -3.1934 -0.9981 1663451 ChemDiv1_003176 CCOC(=O)c1c(C)c(sc1NC(=O)COc2ccc(Cl)cc2)C(=O)Nc3ccccc3F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 A09 compound treatment 0.179 -0.041 -2.02 0.219 -0.0276 -1.42 -2.4321 -0.9852 1971892 ChemDiv1_003177 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(cc3)C(C)(C)C)ccc1OCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 A10 compound treatment 0.265 0.045 2.22 0.278 0.0314 1.62 2.7108 0.988 1571603 ChemDiv1_003178 CC1=C(C(NC(=O)N1)c2cccc(Oc3ccccc3)c2)C(=O)OCc4ccc(C)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 A11 compound treatment 0.231 0.011 0.54 0.195 -0.0516 -2.66 -1.4948 -0.5515 1971893 ChemDiv1_003179 COc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(cc3)C(C)(C)C)ccc1OCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 A12 compound treatment 0.204 -0.016 -0.79 0.201 -0.0456 -2.35 -2.2167 -0.8954 1923306 ChemDiv1_003180 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 A13 compound treatment 0.187 -0.033 -1.63 0.249 0.00241 0.12 -1.0614 -0.6511 1971894 ChemDiv1_003181 CCc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)OC)c(OC)c3)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 A14 compound treatment 0.213 -0.007 -0.34 0.206 -0.0406 -2.09 -1.7212 -0.8128 1924022 ChemDiv1_003182 COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCCOc3ccccc3C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 A15 compound treatment 0.176 -0.044 -2.17 0.195 -0.0516 -2.66 -3.4103 -0.9949 1945599 ChemDiv1_003183 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(C)cc3)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 A16 compound treatment 0.195 -0.025 -1.23 0.196 -0.0506 -2.6 -2.7121 -0.9415 1971895 ChemDiv1_003184 CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 A17 compound treatment 0.19 -0.03 -1.48 0.209 -0.0376 -1.93 -2.413 -0.9911 1945867 ChemDiv1_003185 CCOC(=O)COc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(OC)cc3)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 A18 compound treatment 0.192 -0.028 -1.38 0.24 -0.00659 -0.34 -1.2149 -0.8555 1943173 ChemDiv1_003186 [O-][N+](=O)c1ccc(OCCOc2cccc(C=C3C(=O)NC(=O)NC3=O)c2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 A19 compound treatment 0.195 -0.025 -1.23 0.209 -0.0376 -1.93 -2.2389 -0.9762 1309298 ChemDiv1_003187 COc1ccc(cc1OC)C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Cl)cc3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 A20 compound treatment 0.19 -0.03 -1.48 0.221 -0.0256 -1.32 -1.9762 -0.9984 1971896 ChemDiv1_003188 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCSc3cccc4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 A21 compound treatment 0.18 -0.04 -1.97 0.213 -0.0336 -1.73 -2.6157 -0.9979 1971897 ChemDiv1_003189 Cc1ccc(cc1[N+](=O)[O-])C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Br)cc3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 A22 compound treatment 0.183 -0.037 -1.82 0.198 -0.0486 -2.5 -3.0573 -0.9879 1971898 ChemDiv1_003190 COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCSc3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 A23 mock treatment 0.192 -0.028 -1.38 0.193 -0.0536 -2.76 -2.9258 -0.9487 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 A24 mock treatment 0.189 -0.031 -1.53 0.178 -0.0686 -3.53 -3.5763 -0.9297 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 B01 compound treatment 0.209 -0.011 -0.54 0.222 -0.0246 -1.27 -1.2781 -0.9283 1603156 ChemDiv1_003191 CC(=O)Nc1ccc(cc1)C(=O)CSc2nc(O)c3ccccc3n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 B02 compound treatment 0.248 0.028 1.38 0.254 0.00741 0.38 1.245 0.8701 1491654 ChemDiv1_003192 COC(=O)c1ccc(Oc2nc(NC(C)C)nc(NC(C)C)n2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 B03 compound treatment 0.251 0.031 1.53 0.261 0.0144 0.74 1.6043 0.9451 1260827 ChemDiv1_003193 Cc1ccc2nc(oc2c1)c3cc(NC(=O)c4cccc(OCc5ccccc5)c4)ccc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 B04 compound treatment 0.263 0.043 2.12 0.272 0.0254 1.31 2.4227 0.9732 1164076 ChemDiv1_003194 OC(COc1ccccc1C(=O)Nc2ccccc2)CN3C(=O)c4ccccc4S3(=O)=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 B05 compound treatment 0.244 0.024 1.18 0.26 0.0134 0.69 1.3241 0.9672 1971899 ChemDiv1_003195 COc1ccccc1OCCSc2nc3ccccc3n2CC(=O)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 B06 compound treatment 0.257 0.037 1.82 0.263 0.0164 0.84 1.8861 0.939 1971900 ChemDiv1_003196 CCN(CC)CCCNc1nc(nc2ccccc12)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 B07 compound treatment 0.312 0.092 4.53 0.321 0.0744 3.83 5.9129 0.9965 1971901 ChemDiv1_003197 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cccc(OC)c3OC)C(=O)CC(C2)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 B08 compound treatment 0.291 0.071 3.5 0.301 0.0544 2.8 4.4535 0.994 1547367 ChemDiv1_003198 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3coc4ccccc4c3=O)C(=O)OCC5CCCO5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 B09 compound treatment 0.302 0.082 4.04 0.323 0.0764 3.93 5.6375 0.9999 1971902 ChemDiv1_003199 CCOc1cc(ccc1O)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(OC)cc4)C(=O)OCCSCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 B10 compound treatment 0.286 0.066 3.25 0.289 0.0424 2.18 3.8425 0.9813 1971903 ChemDiv1_003200 Fc1ccc(cc1)c2nc3ccccc3c(=O)n2NC(=O)/C=C/c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 B11 compound treatment 0.251 0.031 1.53 0.256 0.00941 0.48 1.4223 0.8879 1784075 ChemDiv1_003201 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(C)c(c2)[N+](=O)[O-])C(=O)Nc3ccccc3F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 B12 compound treatment 0.257 0.037 1.82 0.265 0.0184 0.95 1.9589 0.9536 1624483 ChemDiv1_003202 CC1=C(C(C2=C(CCCC2=O)N1)c3coc4ccccc4c3=O)C(=O)OCCc5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 B13 compound treatment 0.247 0.027 1.33 0.265 0.0184 0.95 1.6106 0.9862 1971904 ChemDiv1_003203 CCOC(=O)c1c(C)c(sc1NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)Nc3cccc(c3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 B14 compound treatment 0.304 0.084 4.14 0.324 0.0774 3.99 5.7435 0.9998 1465862 ChemDiv1_003204 COc1ccc(COC(=O)C2=C(C)NC3=C(C2c4coc5ccc(Cl)cc5c4=O)C(=O)CC(C)(C)C3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 B15 compound treatment 0.255 0.035 1.72 0.262 0.0154 0.79 1.78 0.938 1255871 ChemDiv1_003205 COC(=O)CN(c1nc(C)c(Cl)c(OC)n1)S(=O)(=O)c2ccc(C)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 B16 compound treatment 0.274 0.054 2.66 0.274 0.0274 1.41 2.8786 0.9561 1419891 ChemDiv1_003206 CN1C2CCC1C=C(C2)N(CCc3c[nH]c4ccccc34)C(=O)c5ccc(Cl)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 B17 compound treatment 0.253 0.033 1.63 0.266 0.0194 1.0 1.856 0.9727 1368941 ChemDiv1_003207 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nc(C)cc(n2)n3nc(C)cc3C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 B18 compound treatment 0.283 0.063 3.1 0.289 0.0424 2.18 3.7381 0.9852 1971905 ChemDiv1_003208 COCCOC(=O)C1=C(C)NC2=C(C1c3coc4ccccc4c3=O)C(=O)CC(C)(C)C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 B19 compound treatment 0.25 0.03 1.48 0.257 0.0104 0.54 1.4239 0.9059 1971906 ChemDiv1_003209 CC(C)Nc1nc(NC(C)C)nc(OCCOC(=O)c2ccccc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 B20 compound treatment 0.246 0.026 1.28 0.254 0.00741 0.38 1.1754 0.8796 1688615 ChemDiv1_003210 COc1ccc(cc1OC)C(=O)Nc2ccc3oc(nc3c2)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 B21 compound treatment 0.25 0.03 1.48 0.257 0.0104 0.54 1.4239 0.9059 1971907 ChemDiv1_003211 CCOc1nc(SCCOc2ccc(C)cc2)nc(n1)N(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 B22 compound treatment 0.264 0.044 2.17 0.269 0.0224 1.15 2.3483 0.9565 1543048 ChemDiv1_003212 COc1cc(ccc1OC(=O)CNc2ccc3OCOc3c2)C4C5=C(CC(C)(C)CC5=O)OC6=C4C(=O)CC(C)(C)C6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 B23 mock treatment 0.23 0.01 0.49 0.256 0.00941 0.48 0.691 1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 B24 mock treatment 0.189 -0.031 -1.53 0.214 -0.0326 -1.68 -2.2659 -0.9989 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 C01 compound treatment 0.204 -0.016 -0.79 0.209 -0.0376 -1.93 -1.9255 -0.9216 1971908 ChemDiv1_003213 CN(C)c1ccc(cc1)C2CC(=NN2C(=O)c3ccc(F)cc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 C02 compound treatment 0.229 0.009 0.44 0.244 -0.00259 -0.13 0.2193 0.4738 1572581 ChemDiv1_003214 Brc1ccc(NC(=O)CSC2=C(C#N)C3(CCC(CC3)c4ccccc4)C(C#N)C(=O)N2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 C03 compound treatment 0.236 0.016 0.79 0.243 -0.00359 -0.18 0.4267 0.5272 1946149 ChemDiv1_003215 COc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c3ccccc3)ccc1OCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 C04 compound treatment 0.238 0.018 0.89 0.246 -5.86E-4 -0.03 0.6055 0.6826 1971909 ChemDiv1_003216 Clc1ccc2[nH]c3c(cc(NC4CCCCC4)c5c(=O)c6ccccc6c(=O)c35)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 C05 compound treatment 0.249 0.029 1.43 0.252 0.00541 0.28 1.2071 0.8294 1145067 ChemDiv1_003217 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(=O)O)c(OC)c3)c(=O)n2C1c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 C06 compound treatment 0.234 0.014 0.69 0.243 -0.00359 -0.18 0.357 0.5002 1574917 ChemDiv1_003218 COc1cc(cc(OC)c1OC)C(=O)N2C(C)CC(Nc3ccccc3)c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 C07 compound treatment 0.236 0.016 0.79 0.244 -0.00259 -0.13 0.4631 0.5794 1946274 ChemDiv1_003219 COc1cc(/C=C/2\C(=O)NC(=O)N(C)C2=O)ccc1OCc3ccc(cc3)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 C08 compound treatment 0.244 0.024 1.18 0.255 0.00841 0.43 1.1421 0.9072 1675008 ChemDiv1_003220 CCOC(=O)c1c(C)c(sc1NC(=O)C2(CC3CC4CC(C3)C2)C4)C(=O)Nc5ccccc5F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 C09 compound treatment 0.237 0.017 0.84 0.251 0.00441 0.23 0.7527 0.8676 1945717 ChemDiv1_003221 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(F)cc3)ccc1OCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 C10 compound treatment 0.302 0.082 4.04 0.306 0.0594 3.06 5.0186 0.9906 1497488 ChemDiv1_003222 CC1=C(C(NC(=O)N1)c2cccc(Oc3ccccc3)c2)C(=O)OCc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 C11 compound treatment 0.239 0.019 0.94 0.243 -0.00359 -0.18 0.5312 0.5569 1946172 ChemDiv1_003223 COc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(F)cc3)ccc1OCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 C12 compound treatment 0.241 0.021 1.03 0.25 0.00341 0.18 0.8556 0.8156 1971910 ChemDiv1_003224 CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 C13 compound treatment 0.235 0.015 0.74 0.262 0.0154 0.79 1.0835 0.9994 1946427 ChemDiv1_003225 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(cc3)C(C)C)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 C14 compound treatment 0.246 0.026 1.28 0.251 0.00441 0.23 1.0662 0.8198 1971911 ChemDiv1_003226 COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCCOc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 C15 compound treatment 0.231 0.011 0.54 0.24 -0.00659 -0.34 0.1433 0.2243 1971912 ChemDiv1_003227 CCc1ccc(cc1)N2C(=O)/C(=C/c3ccc(OCC(=O)OC)c(OC)c3)/C(=O)NC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 C16 compound treatment 0.241 0.021 1.03 0.25 0.00341 0.18 0.8556 0.8156 1971913 ChemDiv1_003228 CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc3cccc(C)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 C17 compound treatment 0.247 0.027 1.33 0.249 0.00241 0.12 1.0282 0.7698 1971914 ChemDiv1_003229 CCOC(=O)COc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(OC)cc3)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 C18 compound treatment 0.255 0.035 1.72 0.262 0.0154 0.79 1.78 0.938 1943237 ChemDiv1_003230 CN1C(=O)N(C)C(=O)C(=Cc2cccc(OCCOc3ccc(cc3)[N+](=O)[O-])c2)C1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 C19 compound treatment 0.247 0.027 1.33 0.25 0.00341 0.18 1.0646 0.7937 1157426 ChemDiv1_003231 COc1cc(cc(OC)c1OC)C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Cl)cc3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 C20 compound treatment 0.238 0.018 0.89 0.246 -5.86E-4 -0.03 0.6055 0.6826 1971915 ChemDiv1_003232 CCOC(=O)CSCCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 C21 compound treatment 0.236 0.016 0.79 0.241 -0.00559 -0.29 0.3539 0.4218 1710015 ChemDiv1_003233 Cc1ccc(cc1)S(=O)(=O)CCc2nnc(NC(=O)c3ccc(cc3)C(C)(C)C)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 C22 compound treatment 0.241 0.021 1.03 0.244 -0.00259 -0.13 0.6372 0.611 1971916 ChemDiv1_003234 CCOC(=O)CSCCOc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 C23 mock treatment 0.236 0.016 0.79 0.24 -0.00659 -0.34 0.3175 0.3701 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 C24 mock treatment 0.188 -0.032 -1.58 0.225 -0.0216 -1.11 -1.9003 -0.9854 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 D01 compound treatment 0.211 -0.009 -0.44 0.241 -0.00559 -0.29 -0.5168 -0.9781 1971917 ChemDiv1_003235 COc1ccc(cc1OC)C(=O)CSc2nc(O)c3ccccc3n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 D02 compound treatment 0.245 0.025 1.23 0.253 0.00641 0.33 1.1042 0.8661 1245752 ChemDiv1_003236 CCNc1nc(NCC)nc(Oc2ccc(cc2)C(=O)OC)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 D03 compound treatment 0.274 0.054 2.66 0.269 0.0224 1.15 2.6966 0.9301 1683341 ChemDiv1_003237 O=C(Nc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1)c4ccco4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 D04 compound treatment 0.25 0.03 1.48 0.25 0.00341 0.18 1.1691 0.7857 1490278 ChemDiv1_003238 OC(CNS(=O)(=O)c1ccccc1C(=O)N2CCOCC2)COc3ccc(cc3)N4C(=O)C5CC=CCC5C4=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 D05 compound treatment 0.249 0.029 1.43 0.254 0.00741 0.38 1.2799 0.8657 1971918 ChemDiv1_003239 COc1ccccc1OCCSc2nc3ccccc3n2CC(O)CO 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 D06 compound treatment 0.244 0.024 1.18 0.251 0.00441 0.23 0.9965 0.8279 1159575 ChemDiv1_003240 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Cl)cc2Cl)C(=O)Nc3ccccc3F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 D07 compound treatment 0.29 0.07 3.45 0.29 0.0434 2.23 4.0183 0.978 1441303 ChemDiv1_003241 CCCOC(=O)C1=C(C)NC2=C(C1c3ccc(O)c(OCC)c3)C(=O)CC(C2)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 D08 compound treatment 0.258 0.038 1.87 0.263 0.0164 0.84 1.9209 0.9354 1971919 ChemDiv1_003242 CC1=C(C(C2=C(CCCC2=O)N1)c3coc4ccc(Cl)cc4c3=O)C(=O)OCCOc5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 D09 compound treatment 0.274 0.054 2.66 0.285 0.0384 1.98 3.279 0.9894 1193799 ChemDiv1_003243 COc1cc(ccc1OC(=O)C)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccccc4)C(=O)OCC(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 D10 compound treatment 0.266 0.046 2.27 0.264 0.0174 0.9 2.2359 0.9177 1971920 ChemDiv1_003244 [O-][N+](=O)c1cccc(c1)c2nc3ccccc3c(=O)n2NC(=O)COc4ccc(Cl)cc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 D11 compound treatment 0.25 0.03 1.48 0.259 0.0124 0.64 1.4967 0.9297 1384080 ChemDiv1_003245 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Cl)cc2Cl)C(=O)Nc3ccc(OC)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 D12 compound treatment 0.313 0.093 4.58 0.303 0.0564 2.9 5.2925 0.9758 1971921 ChemDiv1_003246 CCSCCOC(=O)C1=C(C)NC2=C(C1c3coc4ccc(C)cc4c3=O)C(=O)CC(C)(C)C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 D13 compound treatment 0.247 0.027 1.33 0.264 0.0174 0.9 1.5742 0.9816 1783908 ChemDiv1_003247 COc1ccc(CCN2C(SCC2=O)c3ccc(cc3)[N+](=O)[O-])cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 D14 compound treatment 0.311 0.091 4.48 0.313 0.0664 3.42 5.5869 0.9911 1971922 ChemDiv1_003248 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3coc4ccccc4c3=O)C(=O)OCCOc5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 D15 compound treatment 0.242 0.022 1.08 0.253 0.00641 0.33 0.9997 0.8825 1142854 ChemDiv1_003249 CCNc1nc(NC(C)C)nc(NS(=O)(=O)c2ccc(N)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 D16 compound treatment 0.264 0.044 2.17 0.264 0.0174 0.9 2.1663 0.9237 1736301 ChemDiv1_003250 CN1C2CCC1CC(C2)N(CCc3c[nH]c4ccccc34)C(=O)c5ccc(F)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 D17 compound treatment 0.256 0.036 1.77 0.262 0.0154 0.79 1.8149 0.9343 1163540 ChemDiv1_003251 COc1nc(NS(=O)(=O)c2ccc(C)cc2)nc(C)c1Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 D18 compound treatment 0.25 0.03 1.48 0.251 0.00441 0.23 1.2055 0.8064 1971923 ChemDiv1_003252 CN1C(=C(C(NC1=O)c2cccc(c2)C(F)(F)F)C(=O)OCCc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 D19 compound treatment 0.247 0.027 1.33 0.248 0.00141 0.07 0.9918 0.7447 1971924 ChemDiv1_003253 CN(C)c1nc(SCCOC(=O)Nc2ccccc2)nc(n1)N(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 D20 compound treatment 0.264 0.044 2.17 0.269 0.0224 1.15 2.3483 0.9565 1682976 ChemDiv1_003254 COc1ccc(cc1OC)C(=O)Nc2ccc3oc(Cc4ccc(Cl)cc4)nc3c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 D21 compound treatment 0.244 0.024 1.18 0.247 4.14E-4 0.02 0.8509 0.7197 1971925 ChemDiv1_003255 CCNc1nc(NCC)nc(OCCNS(=O)(=O)c2cc(C)ccc2C)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 D22 compound treatment 0.244 0.024 1.18 0.263 0.0164 0.84 1.4333 0.9865 1971926 ChemDiv1_003256 Cc1ccc(NC(=O)c2ccc(o2)c3ccc(cc3)[N+](=O)[O-])cc1c4nc5ncccc5o4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 D23 mock treatment 0.248 0.028 1.38 0.251 0.00441 0.23 1.1358 0.8127 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 D24 mock treatment 0.206 -0.014 -0.69 0.245 -0.00159 -0.08 -0.5453 -0.7854 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 E01 compound treatment 0.21 -0.01 -0.49 0.24 -0.00659 -0.34 -0.588 -0.9834 1971927 ChemDiv1_003257 COc1ccc(cc1)C2CC(=NN2C(=O)c3ccc(F)cc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 E02 compound treatment 0.252 0.032 1.58 0.256 0.00941 0.48 1.4571 0.8837 1530853 ChemDiv1_003258 Cc1ccc(o1)c2c(C#N)c(SCC(=O)c3ccc(O)c(O)c3)nc4CCCCc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 E03 compound treatment 0.252 0.032 1.58 0.255 0.00841 0.43 1.4207 0.8692 1971928 ChemDiv1_003259 CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c3ccccc3)ccc1OCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 E04 compound treatment 0.248 0.028 1.38 0.256 0.00941 0.48 1.3178 0.9015 1971929 ChemDiv1_003260 Cc1cccc2oc3cc(Nc4ccccc4)c5c(=O)c6ccccc6c(=O)c5c3[nH]c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 E05 compound treatment 0.247 0.027 1.33 0.253 0.00641 0.33 1.1738 0.8567 1971930 ChemDiv1_003261 COc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 E06 compound treatment 0.254 0.034 1.67 0.26 0.0134 0.69 1.6724 0.9233 1971931 ChemDiv1_003262 CC1=CC(C)(C)N(C(=O)c2sc3ccccc3c2Cl)c4ccc(cc14)C(c5ccccc5)(c6ccccc6)c7ccccc7 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 E07 compound treatment 0.251 0.031 1.53 0.262 0.0154 0.79 1.6407 0.9535 1971932 ChemDiv1_003263 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccccc3)ccc1OCc4ccc(cc4)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 E08 compound treatment 0.308 0.088 4.33 0.314 0.0674 3.47 5.5188 0.9939 1784065 ChemDiv1_003264 [O-][N+](=O)c1cc2OCOc2cc1C3Nc4ccccc4NC5=C3C(=O)CC(C5)c6ccc(Cl)cc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 E09 compound treatment 0.251 0.031 1.53 0.256 0.00941 0.48 1.4223 0.8879 1951589 ChemDiv1_003265 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Cl)cc3)ccc1OCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 E10 compound treatment 0.328 0.108 5.32 0.324 0.0774 3.99 6.5794 0.9899 1971933 ChemDiv1_003266 Oc1cc(Cl)c([N+](=O)[O-])c2C3C=CCC3C(Nc12)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 E11 compound treatment 0.246 0.026 1.28 0.251 0.00441 0.23 1.0662 0.8198 1946198 ChemDiv1_003267 COc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(Cl)cc3)ccc1OCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 E12 compound treatment 0.274 0.054 2.66 0.291 0.0444 2.29 3.4974 0.9972 1971934 ChemDiv1_003268 CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc3ccc(C)c(C)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 E13 compound treatment 0.253 0.033 1.63 0.261 0.0144 0.74 1.674 0.9369 1945904 ChemDiv1_003269 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(F)cc3)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 E14 compound treatment 0.262 0.042 2.07 0.268 0.0214 1.1 2.2422 0.9566 1971935 ChemDiv1_003270 COc1ccccc1OCCOc2c(Br)cc(C=C3C(=O)NC(=O)NC3=O)cc2OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 E15 compound treatment 0.245 0.025 1.23 0.255 0.00841 0.43 1.177 0.9017 1945713 ChemDiv1_003271 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(cc3)C(C)C)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 E16 compound treatment 0.254 0.034 1.67 0.258 0.0114 0.59 1.5996 0.9013 1971936 ChemDiv1_003272 CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc3ccccc3C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 E17 compound treatment 0.26 0.04 1.97 0.261 0.0144 0.74 1.9178 0.911 1971937 ChemDiv1_003273 COc1ccc(cc1)N2C(=O)/C(=C/c3ccc(OCC#N)c(OC)c3)/C(=O)NC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 E18 compound treatment 0.264 0.044 2.17 0.268 0.0214 1.1 2.3119 0.9509 1923394 ChemDiv1_003274 [O-][N+](=O)c1ccc(OCCOc2ccccc2C=C3C(=O)NC(=O)NC3=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 E19 compound treatment 0.267 0.047 2.31 0.264 0.0174 0.9 2.2708 0.9147 1710855 ChemDiv1_003275 Cc1ccc(SCC(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Cl)cc3)s2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 E20 compound treatment 0.268 0.048 2.36 0.271 0.0244 1.26 2.5604 0.9563 1926305 ChemDiv1_003276 CCOC(=O)CSCCOc1ccc(/C=C\2/C(=O)NC(=O)N(C2=O)c3ccc(C)cc3)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 E21 compound treatment 0.284 0.064 3.15 0.28 0.0334 1.72 3.4453 0.9594 1971938 ChemDiv1_003277 Cc1ccc(cc1C)S(=O)(=O)CCc2nnc(NC(=O)c3ccc(C)c(c3)[N+](=O)[O-])s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 E22 compound treatment 0.246 0.026 1.28 0.257 0.0104 0.54 1.2846 0.9253 1971939 ChemDiv1_003278 CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOCCOc3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 E23 mock treatment 0.245 0.025 1.23 0.251 0.00441 0.23 1.0313 0.8237 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 E24 mock treatment 0.213 -0.007 -0.34 0.246 -5.86E-4 -0.03 -0.2651 -0.7661 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 F01 compound treatment 0.226 0.006 0.3 0.259 0.0124 0.64 0.6609 0.9386 1971940 ChemDiv1_003279 COc1ccccc1C2CC(=NN2CN3C(=O)C(=O)c4ccccc34)c5ccc(Br)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 F02 compound treatment 0.245 0.025 1.23 0.258 0.0114 0.59 1.2862 0.9427 1371076 ChemDiv1_003280 COC(=O)c1ccc(Oc2nc(nc(n2)N(C)C)N(C)C)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 F03 compound treatment 0.279 0.059 2.91 0.287 0.0404 2.08 3.526 0.9866 1254407 ChemDiv1_003281 CCOc1cc(OCC)cc(c1)C(=O)Nc2ccc3oc(nc3c2)c4cccc(F)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 F04 compound treatment 0.255 0.035 1.72 0.252 0.00541 0.28 1.416 0.8109 1971941 ChemDiv1_003282 CC(C)C1=CC23CCC4C(C)(CCCC4(C)C3CC1C5C2C(=O)N(C5=O)c6ccc(cc6)S(=O)(=O)N)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 F05 compound treatment 0.265 0.045 2.22 0.284 0.0374 1.93 2.9292 0.9976 1971942 ChemDiv1_003283 CC(C)(C)c1ccc(OCCSc2nc3ccccc3n2CC(=O)N)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 F06 compound treatment 0.314 0.094 4.63 0.325 0.0784 4.04 6.1282 0.9977 1391694 ChemDiv1_003284 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3coc4ccccc4c3=O)C(=O)OCCc5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 F07 compound treatment 0.283 0.063 3.1 0.289 0.0424 2.18 3.7381 0.9852 1661399 ChemDiv1_003285 COC(=O)C1=C(C)NC2=C(C1c3ccc(OC(=O)C)c(OC)c3)C(=O)CC(C2)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 F08 compound treatment 0.299 0.079 3.89 0.302 0.0554 2.85 4.7685 0.9884 1351519 ChemDiv1_003286 CC1=C(C(C2=C(CCCC2=O)N1)c3coc4ccc(C)cc4c3=O)C(=O)OC5CCCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 F09 compound treatment 0.297 0.077 3.79 0.292 0.0454 2.34 4.3348 0.973 1367554 ChemDiv1_003287 COc1ccc(C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(Cl)cc4)C(=O)OC(C)C)c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 F10 compound treatment 0.262 0.042 2.07 0.265 0.0184 0.95 2.133 0.9374 1971943 ChemDiv1_003288 [O-][N+](=O)c1cccc(c1)C(=O)Nn2c(nc3ccccc3c2=O)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 F11 compound treatment 0.279 0.059 2.91 0.27 0.0234 1.21 2.9071 0.9241 1971944 ChemDiv1_003289 COc1cc(cc(OC)c1O)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)OCCOc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 F12 compound treatment 0.305 0.085 4.19 0.297 0.0504 2.6 4.7955 0.9736 1971945 ChemDiv1_003290 CCSCCOC(=O)C1=C(C)NC2=C(C1c3coc4ccccc4c3=O)C(=O)CC(C)(C)C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 F13 compound treatment 0.251 0.031 1.53 0.27 0.0234 1.21 1.932 0.9931 1971946 ChemDiv1_003291 CCNc1nc(NCC)nc(OCCNS(=O)(=O)c2ccc(C)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 F14 compound treatment 0.252 0.032 1.58 0.256 0.00941 0.48 1.4571 0.8837 1337077 ChemDiv1_003292 O=C(N1CCN(CC1)C(=O)c2cccc(c2)S(=O)(=O)N3CCCCC3)c4cccc(c4)S(=O)(=O)N5CCCCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 F15 compound treatment 0.267 0.047 2.31 0.269 0.0224 1.15 2.4528 0.9483 1220453 ChemDiv1_003293 CCNc1nc(NCC)nc(NS(=O)(=O)c2ccc(C)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 F16 compound treatment 0.277 0.057 2.81 0.271 0.0244 1.26 2.8739 0.9343 1313118 ChemDiv1_003294 CN1C2CCC1CC(C2)N(CCc3c[nH]c4ccccc34)C(=O)c5ccc(Cl)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 F17 compound treatment 0.281 0.061 3.0 0.28 0.0334 1.72 3.3408 0.965 1971947 ChemDiv1_003295 COc1nc(nc(C)c1Br)N(C)S(=O)(=O)c2ccc(C)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 F18 compound treatment 0.277 0.057 2.81 0.27 0.0234 1.21 2.8375 0.9287 1677968 ChemDiv1_003296 CN1C(=C(C(NC1=O)c2ccc(Br)s2)C(=O)OCCc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 F19 compound treatment 0.251 0.031 1.53 0.26 0.0134 0.69 1.5679 0.9357 1971948 ChemDiv1_003297 CCNc1nc(NCC)nc(SCCOC(=O)Nc2ccccc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 F20 compound treatment 0.254 0.034 1.67 0.258 0.0114 0.59 1.5996 0.9013 1175787 ChemDiv1_003298 O=C(Nc1cccc(NC(=O)c2ccc3OCCOc3c2)c1)c4ccco4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 F21 compound treatment 0.247 0.027 1.33 0.251 0.00441 0.23 1.101 0.8161 1971949 ChemDiv1_003299 CCNc1nc(NC(C)C)nc(OCCNS(=O)(=O)c2cc(C)ccc2C)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 F22 compound treatment 0.252 0.032 1.58 0.253 0.00641 0.33 1.3479 0.8371 1971950 ChemDiv1_003300 OC(=O)C1Cc2c([nH]c3ccccc23)C(N1)c4cccc(O)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 F23 mock treatment 0.244 0.024 1.18 0.257 0.0104 0.54 1.2149 0.936 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 F24 mock treatment 0.226 0.006 0.3 0.246 -5.86E-4 -0.03 0.1876 0.6316 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 G01 compound treatment 0.235 0.015 0.74 0.274 0.0274 1.41 1.5203 0.9544 1289023 ChemDiv1_003301 COc1ccc(cc1)c2cc(C(=O)NCc3ccc4OCOc4c3)c5ccccc5n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 G02 compound treatment 0.244 0.024 1.18 0.254 0.00741 0.38 1.1057 0.8902 1971951 ChemDiv1_003302 COc1ccc(Nc2cc3sc4cc(C)ccc4[nH]c3c5c(=O)c6ccccc6c(=O)c25)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 G03 compound treatment 0.249 0.029 1.43 0.251 0.00441 0.23 1.1707 0.8094 1971952 ChemDiv1_003303 COc1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3c(OC)ccc4ccccc34)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 G04 compound treatment 0.249 0.029 1.43 0.259 0.0124 0.64 1.4619 0.9342 1919523 ChemDiv1_003304 OC(=O)c1cc(cc(c1)N2C(=O)C3C4CC(C=C4)C3C2=O)N5C(=O)C6C7CC(C=C7)C6C5=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 G05 compound treatment 0.245 0.025 1.23 0.252 0.00541 0.28 1.0677 0.8458 1971953 ChemDiv1_003305 CCOc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 G06 compound treatment 0.277 0.057 2.81 0.278 0.0314 1.62 3.1287 0.9657 1783127 ChemDiv1_003306 [O-][N+](=O)c1ccc2c(Cl)c(sc2c1)C(=O)N3c4ccccc4CCc5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 G07 compound treatment 0.251 0.031 1.53 0.258 0.0114 0.59 1.4951 0.9139 1945993 ChemDiv1_003307 COc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(cc4)C(=O)O)c(OC)c3)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 G08 compound treatment 0.289 0.069 3.4 0.303 0.0564 2.9 4.4567 0.9969 1971954 ChemDiv1_003308 CCOCCOC(=O)C1=C(C)NC2=C(C1c3ccc(OC)c(Br)c3)C(=O)CC(C2)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 G09 compound treatment 0.25 0.03 1.48 0.254 0.00741 0.38 1.3147 0.8615 1945817 ChemDiv1_003309 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Br)cc3)ccc1OCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 G10 compound treatment 0.304 0.084 4.14 0.301 0.0544 2.8 4.9063 0.982 1971955 ChemDiv1_003310 Oc1cc(Cl)c([N+](=O)[O-])c2C3C=CCC3C(Nc12)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 G11 compound treatment 0.248 0.028 1.38 0.253 0.00641 0.33 1.2086 0.8523 1945942 ChemDiv1_003311 COc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(Br)cc3)ccc1OCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 G12 compound treatment 0.275 0.055 2.71 0.276 0.0294 1.51 2.9862 0.9622 1971956 ChemDiv1_003312 CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc3ccccc3OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 G13 compound treatment 0.251 0.031 1.53 0.261 0.0144 0.74 1.6043 0.9451 1945907 ChemDiv1_003313 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Cl)cc3)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 G14 compound treatment 0.258 0.038 1.87 0.262 0.0154 0.79 1.8845 0.927 1971957 ChemDiv1_003314 CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCCOc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 G15 compound treatment 0.249 0.029 1.43 0.252 0.00541 0.28 1.2071 0.8294 1946078 ChemDiv1_003315 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(F)cc3)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 G16 compound treatment 0.256 0.036 1.77 0.255 0.00841 0.43 1.5601 0.8547 1971958 ChemDiv1_003316 CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc3ccccc3OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 G17 compound treatment 0.255 0.035 1.72 0.261 0.0144 0.74 1.7436 0.9291 1971959 ChemDiv1_003317 COc1ccc(cc1)N2C(=O)/C(=C/c3ccc(OCC=C)c(OC)c3)/C(=O)NC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 G18 compound treatment 0.26 0.04 1.97 0.268 0.0214 1.1 2.1726 0.9624 1971960 ChemDiv1_003318 CN1C(=O)N(C)C(=O)C(=Cc2cc(Br)ccc2OCCOc3ccccc3)C1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 G19 compound treatment 0.247 0.027 1.33 0.255 0.00841 0.43 1.2466 0.8913 1171559 ChemDiv1_003319 Cc1ccc(cc1)S(=O)(=O)CCc2nnc(NC(=O)CSc3ccc(Cl)cc3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 G20 compound treatment 0.249 0.029 1.43 0.252 0.00541 0.28 1.2071 0.8294 1946489 ChemDiv1_003320 CCOC(=O)CSCCOc1ccc(/C=C\2/C(=O)NC(=O)N(C2=O)c3cccc(C)c3)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 G21 compound treatment 0.274 0.054 2.66 0.277 0.0304 1.57 2.9878 0.9681 1971961 ChemDiv1_003321 Brc1ccc(cc1)S(=O)(=O)CCc2nnc(NC(=O)c3ccco3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 G22 compound treatment 0.282 0.062 3.05 0.277 0.0304 1.57 3.2664 0.9518 1946403 ChemDiv1_003322 CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOCCOc3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 G23 mock treatment 0.241 0.021 1.03 0.251 0.00441 0.23 0.892 0.8424 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 G24 mock treatment 0.218 -0.002 -0.1 0.245 -0.00159 -0.08 -0.1274 -0.9957 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 H01 compound treatment 0.223 0.003 0.15 0.255 0.00841 0.43 0.4108 0.8975 1971962 ChemDiv1_003323 COc1ccc(cc1)C2=NN(CN3C(=O)C(=O)c4ccccc34)C(C2)c5ccccc5Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 H02 compound treatment 0.248 0.028 1.38 0.25 0.00341 0.18 1.0994 0.7908 1579638 ChemDiv1_003324 CC1(C)NC(=O)N(CC(O)COc2ccc(cc2)N3C(=O)C4CC=CCC4C3=O)C1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 H03 compound treatment 0.247 0.027 1.33 0.254 0.00741 0.38 1.2102 0.8747 1410958 ChemDiv1_003325 COc1cc(ccc1OCc2ccc(Cl)cc2)C(=O)Nc3cc(ccc3C)c4nc5ccc(C)cc5o4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 H04 compound treatment 0.248 0.028 1.38 0.257 0.0104 0.54 1.3542 0.9153 1971963 ChemDiv1_003326 CCCCOC(=O)c1ccc(NC(=O)c2cc3cc(Br)ccc3oc2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 H05 compound treatment 0.279 0.059 2.91 0.29 0.0434 2.23 3.6352 0.9916 1784066 ChemDiv1_003327 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4cccc(c4)[N+](=O)[O-])C(=O)OC5CCCC5)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 H06 compound treatment 0.296 0.076 3.74 0.303 0.0564 2.9 4.7004 0.9921 1408916 ChemDiv1_003328 CC1=C(C(C2=C(CCCC2=O)N1)c3coc4ccc(Cl)cc4c3=O)C(=O)OCC5CCCO5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 H07 compound treatment 0.294 0.074 3.64 0.285 0.0384 1.98 3.9756 0.9587 1396747 ChemDiv1_003329 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4cc(Cl)c(O)c(OC)c4)C(=O)OC(C)C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 H08 compound treatment 0.262 0.042 2.07 0.263 0.0164 0.84 2.0602 0.922 1971964 ChemDiv1_003330 [O-][N+](=O)c1ccccc1C(=O)Nn2c(nc3ccccc3c2=O)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 H09 compound treatment 0.279 0.059 2.91 0.283 0.0364 1.87 3.3803 0.9775 1682517 ChemDiv1_003331 CCOc1cc(cc(Cl)c1O)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)OCc4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 H10 compound treatment 0.275 0.055 2.71 0.268 0.0214 1.1 2.695 0.9215 1971965 ChemDiv1_003332 Cc1cc(ccc1[N+](=O)[O-])C(=O)Nn2c(nc3ccccc3c2=O)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 H11 compound treatment 0.269 0.049 2.41 0.276 0.0294 1.51 2.7773 0.9748 1971966 ChemDiv1_003333 COCCOC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3Br)C(=O)CC(C2)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 H12 compound treatment 0.294 0.074 3.64 0.3 0.0534 2.75 4.5216 0.9903 1590612 ChemDiv1_003334 CCOC(=O)c1c(C)c(sc1NC(=O)Cc2ccc(Cl)cc2)C(=O)Nc3cccc(OC)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 H13 compound treatment 0.246 0.026 1.28 0.26 0.0134 0.69 1.3938 0.958 1971967 ChemDiv1_003335 CCNc1nc(NC(C)C)nc(OCCNS(=O)(=O)c2ccc(C)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 H14 compound treatment 0.298 0.078 3.84 0.291 0.0444 2.29 4.3333 0.9693 1215375 ChemDiv1_003336 CC1CCN(CC1)S(=O)(=O)c2cc(ccc2C)C(=O)Oc3cccc4cccnc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 H15 compound treatment 0.29 0.07 3.45 0.294 0.0474 2.44 4.1639 0.9857 1588087 ChemDiv1_003337 CCNc1nc(NC(C)C)nc(NS(=O)(=O)c2ccc(C)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 H16 compound treatment 0.254 0.034 1.67 0.253 0.00641 0.33 1.4176 0.8305 1248308 ChemDiv1_003338 COc1ccc(cc1OC)C2NCCc3c2[nH]c4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 H17 compound treatment 0.253 0.033 1.63 0.259 0.0124 0.64 1.6012 0.9168 1971968 ChemDiv1_003339 CN(C)c1nc(OCCOC(=O)Nc2ccccc2)nc(n1)N(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 H18 compound treatment 0.244 0.024 1.18 0.249 0.00241 0.12 0.9237 0.7772 1971969 ChemDiv1_003340 CN1C(=C(C(NC1=O)c2ccc(cc2)C(F)(F)F)C(=O)OCCc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 H19 compound treatment 0.25 0.03 1.48 0.259 0.0124 0.64 1.4967 0.9297 1971970 ChemDiv1_003341 CN(C)c1nc(SCCOC(=O)c2ccccc2)nc(n1)N(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 H20 compound treatment 0.278 0.058 2.86 0.279 0.0324 1.67 3.1999 0.9672 1601010 ChemDiv1_003342 O=C(Nc1ccc2nn(nc2c1)c3cccc4ccccc34)c5ccc6OCCOc6c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 H21 compound treatment 0.24 0.02 0.99 0.245 -0.00159 -0.08 0.6388 0.6463 1971971 ChemDiv1_003343 CC(C)Nc1nc(NC(C)C)nc(OCCNS(=O)(=O)c2cc(C)ccc2C)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 H22 compound treatment 0.249 0.029 1.43 0.256 0.00941 0.48 1.3527 0.8968 1136747 ChemDiv1_003344 Cn1c(=O)n(C)c2n(Cc3ccc(Cl)cc3Cl)c(SCC(=O)O)nc2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 H23 mock treatment 0.252 0.032 1.58 0.255 0.00841 0.43 1.4207 0.8692 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 H24 mock treatment 0.213 -0.007 -0.34 0.259 0.0124 0.64 0.2081 0.2866 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 I01 compound treatment 0.302 0.082 4.04 0.305 0.0584 3.01 4.9822 0.9895 1624173 ChemDiv1_003345 COc1cccc(c1)c2cc(C(=O)Nc3ccncc3)c4ccccc4n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 I02 compound treatment 0.25 0.03 1.48 0.255 0.00841 0.43 1.3511 0.8775 1971972 ChemDiv1_003346 CC(C)(C)c1ccc2[nH]c3c(cc(Nc4ccccc4)c5c(=O)c6ccccc6c(=O)c35)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 I03 compound treatment 0.256 0.036 1.77 0.263 0.0164 0.84 1.8513 0.9425 1971973 ChemDiv1_003347 COc1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3cc(Br)c(O)c(OC)c3)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 I04 compound treatment 0.27 0.05 2.46 0.282 0.0354 1.82 3.0305 0.989 1971974 ChemDiv1_003348 O=C1C2C3CC(C=C3)C2C(=O)N1c4cccc(Oc5ccc6C(=O)N(C(=O)c6c5)c7ccccc7)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 I05 compound treatment 0.254 0.034 1.67 0.255 0.00841 0.43 1.4904 0.8616 1971975 ChemDiv1_003349 Cc1ccc(cc1)N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)O)c(Cl)c3)/C(=O)NC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 I06 compound treatment 0.275 0.055 2.71 0.276 0.0294 1.51 2.9862 0.9622 1971976 ChemDiv1_003350 CC1CC(N(C(=O)c2sc3cc(ccc3c2Cl)[N+](=O)[O-])c4ccccc4)c5ccccc5N1C(=O)Cc6ccccc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 I07 compound treatment 0.255 0.035 1.72 0.256 0.00941 0.48 1.5616 0.8721 1971977 ChemDiv1_003351 COc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccccc3)ccc1OCc4ccc(cc4)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 I08 compound treatment 0.27 0.05 2.46 0.278 0.0314 1.62 2.8849 0.9792 1587570 ChemDiv1_003352 CCCOC(=O)C1=C(C)NC2=C(C1c3cc(OC)c(OC)c(OC)c3)C(=O)CC(C2)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 I09 compound treatment 0.25 0.03 1.48 0.259 0.0124 0.64 1.4967 0.9297 1928313 ChemDiv1_003353 CCOc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)c(OC)c3)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 I10 compound treatment 0.272 0.052 2.56 0.281 0.0344 1.77 3.0637 0.9838 1126339 ChemDiv1_003354 OC(=O)c1cccc2C3C=CCC3C(Nc12)c4ccccc4F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 I11 compound treatment 0.252 0.032 1.58 0.257 0.0104 0.54 1.4936 0.8971 1951821 ChemDiv1_003355 COc1ccc(cc1)N2C(=O)/C(=C/c3ccc(OCC(=O)O)c(OC)c3)/C(=O)NC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 I12 compound treatment 0.265 0.045 2.22 0.266 0.0194 1.0 2.2739 0.9353 1971978 ChemDiv1_003356 COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCCOc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 I13 compound treatment 0.257 0.037 1.82 0.261 0.0144 0.74 1.8133 0.9216 1946266 ChemDiv1_003357 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Br)cc3)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 I14 compound treatment 0.256 0.036 1.77 0.257 0.0104 0.54 1.6329 0.8815 1971979 ChemDiv1_003358 CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCCOc3ccccc3OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 I15 compound treatment 0.249 0.029 1.43 0.251 0.00441 0.23 1.1707 0.8094 1971980 ChemDiv1_003359 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(Cl)cc3)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 I16 compound treatment 0.262 0.042 2.07 0.261 0.0144 0.74 1.9874 0.9043 1927744 ChemDiv1_003360 COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Cl)c1OCCOc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 I17 compound treatment 0.272 0.052 2.56 0.28 0.0334 1.72 3.0273 0.9812 1946082 ChemDiv1_003361 Nc1ccc2nc(SCC(=O)NCCOc3ccc(Cl)cc3)sc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 I18 compound treatment 0.257 0.037 1.82 0.266 0.0194 1.0 1.9953 0.96 1971981 ChemDiv1_003362 CN1C(=O)N(C)C(=O)C(=Cc2ccccc2OCCOc3ccc(cc3)[N+](=O)[O-])C1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 I19 compound treatment 0.254 0.034 1.67 0.253 0.00641 0.33 1.4176 0.8305 1971982 ChemDiv1_003363 Brc1ccc(cc1)S(=O)(=O)CCc2nnc(NC(=O)CN3CCOCC3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 I20 compound treatment 0.257 0.037 1.82 0.262 0.0154 0.79 1.8497 0.9306 1971983 ChemDiv1_003364 CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCBr 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 I21 compound treatment 0.248 0.028 1.38 0.258 0.0114 0.59 1.3906 0.9277 1531569 ChemDiv1_003365 Cc1ccc(cc1C)S(=O)(=O)CCc2nnc(NC(=O)c3ccc(Br)cc3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 I22 compound treatment 0.253 0.033 1.63 0.269 0.0224 1.15 1.9652 0.9859 1452631 ChemDiv1_003366 Cc1ccc(cc1)n2c(=O)c3c4CCCc4sc3[nH]c2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 I23 mock treatment 0.249 0.029 1.43 0.253 0.00641 0.33 1.2435 0.8482 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 I24 mock treatment 0.206 -0.014 -0.69 0.26 0.0134 0.69 7.0E-4 7.0E-4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 J01 compound treatment 0.216 -0.004 -0.2 0.241 -0.00559 -0.29 -0.3427 -0.983 1661937 ChemDiv1_003367 COc1ccc(cc1)C2CC(=NN2C(=O)C)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 J02 compound treatment 0.236 0.016 0.79 0.247 4.14E-4 0.02 0.5723 0.726 1026994 ChemDiv1_003368 O=C1N(Cc2ccccc2)S(=O)(=O)c3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 J03 compound treatment 0.249 0.029 1.43 0.26 0.0134 0.69 1.4983 0.9444 1532122 ChemDiv1_003369 COc1cc(ccc1OCc2ccc(Cl)cc2)C(=O)Nc3ccc(O)c(c3)c4nc5cc(C)ccc5o4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 J04 compound treatment 0.248 0.028 1.38 0.253 0.00641 0.33 1.2086 0.8523 1692805 ChemDiv1_003370 NC(=O)c1c(NC(=O)c2cc3cc(Br)ccc3oc2=O)sc4CCCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 J05 compound treatment 0.312 0.092 4.53 0.303 0.0564 2.9 5.2577 0.9769 1971984 ChemDiv1_003371 CCSCCOC(=O)C1=C(C)NC2=C(C1c3ccc(cc3)N(C)C)C(=O)CC(C2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 J06 compound treatment 0.311 0.091 4.48 0.304 0.0574 2.96 5.2593 0.9796 1658192 ChemDiv1_003372 COc1ccc(COC(=O)C2=C(C)NC3=C(C2c4coc5ccccc5c4=O)C(=O)CCC3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 J07 compound treatment 0.31 0.09 4.43 0.301 0.0544 2.8 5.1152 0.9755 1971985 ChemDiv1_003373 CCSCCOC(=O)C1=C(C)NC2=C(C1c3cccc(c3)[N+](=O)[O-])C(=O)CC(C2)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 J08 compound treatment 0.256 0.036 1.77 0.26 0.0134 0.69 1.7421 0.9155 1971986 ChemDiv1_003374 [O-][N+](=O)c1ccc(cc1)C(=O)Nn2c(nc3ccccc3c2=O)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 J09 compound treatment 0.268 0.048 2.36 0.278 0.0314 1.62 2.8152 0.9829 1575886 ChemDiv1_003375 COc1cc(ccc1OC(=O)C)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(Cl)cc4)C(=O)OC(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 J10 compound treatment 0.26 0.04 1.97 0.26 0.0134 0.69 1.8814 0.9012 1265001 ChemDiv1_003376 O=C(N1CCN(Cc2ccccc2)CC1)c3cc(nc4ccccc34)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 J11 compound treatment 0.294 0.074 3.64 0.302 0.0554 2.85 4.5944 0.9927 1580220 ChemDiv1_003377 COc1cc(ccc1O)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccccc4)C(=O)OCc5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 J12 compound treatment 0.283 0.063 3.1 0.284 0.0374 1.93 3.5561 0.9737 1630930 ChemDiv1_003378 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3NC2c4coc5c(Cl)cc(Cl)cc5c4=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 J13 compound treatment 0.244 0.024 1.18 0.245 -0.00159 -0.08 0.7781 0.6567 1971987 ChemDiv1_003379 CC(C)Nc1nc(NC(C)C)nc(OCCNS(=O)(=O)c2ccc(C)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 J14 compound treatment 0.25 0.03 1.48 0.251 0.00441 0.23 1.2055 0.8064 1396540 ChemDiv1_003380 CCOC(=O)c1sc(NC(=O)c2cccc(c2)S(=O)(=O)N3CCCCCC3)c(C(=O)OCC)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 J15 compound treatment 0.247 0.027 1.33 0.254 0.00741 0.38 1.2102 0.8747 1459151 ChemDiv1_003381 COc1nc(NS(=O)(=O)c2ccc(NC(=O)C)cc2)nc(C)c1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 J16 compound treatment 0.25 0.03 1.48 0.249 0.00241 0.12 1.1327 0.7639 1506608 ChemDiv1_003382 COc1ccc(cc1)C2NCCc3c2[nH]c4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 J17 compound treatment 0.261 0.041 2.02 0.263 0.0164 0.84 2.0254 0.9253 1971988 ChemDiv1_003383 CCNc1nc(NCC)nc(OCCOC(=O)Nc2ccccc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 J18 compound treatment 0.281 0.061 3.0 0.278 0.0314 1.62 3.268 0.9578 1521396 ChemDiv1_003384 CCOc1cc(cc(Cl)c1O)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(OC)cc4)C(=O)OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 J19 compound treatment 0.249 0.029 1.43 0.251 0.00441 0.23 1.1707 0.8094 1971989 ChemDiv1_003385 CCNc1nc(NCC)nc(SCCOC(=O)c2ccccc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 J20 compound treatment 0.289 0.069 3.4 0.297 0.0504 2.6 4.2382 0.9911 1714049 ChemDiv1_003386 CCOc1cc(ccc1OCc2ccc(F)cc2)C3C4=C(CC(C)(C)CC4=O)OC5=C3C(=O)CC(C)(C)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 J21 compound treatment 0.246 0.026 1.28 0.254 0.00741 0.38 1.1754 0.8796 1327959 ChemDiv1_003387 COc1nc(nc(C)c1Cl)N(CC=C)S(=O)(=O)c2ccc(C)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 J22 compound treatment 0.257 0.037 1.82 0.256 0.00941 0.48 1.6313 0.8651 1971990 ChemDiv1_003388 CC/1=NN(C(=O)\C1=C\c2ccc(o2)c3ccc4COC(=O)c4c3)c5ccc(Cl)c(Cl)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 J23 mock treatment 0.235 0.015 0.74 0.249 0.00241 0.12 0.6103 0.8146 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 J24 mock treatment 0.214 -0.006 -0.3 0.255 0.00841 0.43 0.0973 0.1856 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 K01 compound treatment 0.214 -0.006 -0.3 0.246 -5.86E-4 -0.03 -0.2303 -0.7753 1939971 ChemDiv1_003389 Cc1ccc(cc1)S(=O)(=O)Nc2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 K02 compound treatment 0.253 0.033 1.63 0.259 0.0124 0.64 1.6012 0.9168 1971991 ChemDiv1_003390 Cc1ccc(Nc2cc3oc4cc(ccc4[nH]c3c5c(=O)c6ccccc6c(=O)c25)C(C)(C)C)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 K03 compound treatment 0.246 0.026 1.28 0.258 0.0114 0.59 1.321 0.9376 1946111 ChemDiv1_003391 COc1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3ccc(o3)c4ccc(cc4)C(=O)O)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 K04 compound treatment 0.25 0.03 1.48 0.255 0.00841 0.43 1.3511 0.8775 1538577 ChemDiv1_003392 CCOC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 K05 compound treatment 0.258 0.038 1.87 0.257 0.0104 0.54 1.7025 0.8745 1971992 ChemDiv1_003393 COc1ccc(cc1)N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)O)c(Cl)c3)/C(=O)NC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 K06 compound treatment 0.286 0.066 3.25 0.291 0.0444 2.29 3.9154 0.9852 1971993 ChemDiv1_003394 Cc1ccc(cc1)C2(C)CC(C)(C)N(C(=O)c3sc4cc(ccc4c3Cl)[N+](=O)[O-])c5ccccc52 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 K07 compound treatment 0.254 0.034 1.67 0.256 0.00941 0.48 1.5268 0.8758 1971994 ChemDiv1_003395 COc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(F)cc3)ccc1OCc4ccc(cc4)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 K08 compound treatment 0.291 0.071 3.5 0.288 0.0414 2.13 3.9803 0.9718 1971995 ChemDiv1_003396 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cccc4ccccc34)C(=O)CC(C2)c5ccc(OC)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 K09 compound treatment 0.25 0.03 1.48 0.255 0.00841 0.43 1.3511 0.8775 1971996 ChemDiv1_003397 COc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(C)cc3)ccc1OCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 K10 compound treatment 0.279 0.059 2.91 0.283 0.0364 1.87 3.3803 0.9775 1124004 ChemDiv1_003398 OC(=O)c1cc2C3C=CCC3CN4C(C5CC=CC5c(c1)c42)c6ccccc6F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 K11 compound treatment 0.254 0.034 1.67 0.256 0.00941 0.48 1.5268 0.8758 1971997 ChemDiv1_003399 CCOc1ccc(cc1)N2C(=O)/C(=C/c3ccc(OCC(=O)O)c(OC)c3)/C(=O)NC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 K12 compound treatment 0.262 0.042 2.07 0.264 0.0174 0.9 2.0966 0.93 1971998 ChemDiv1_003400 COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCCOc3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 K13 compound treatment 0.257 0.037 1.82 0.252 0.00541 0.28 1.4857 0.8059 1946027 ChemDiv1_003401 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(OC)cc3)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 K14 compound treatment 0.256 0.036 1.77 0.262 0.0154 0.79 1.8149 0.9343 1927017 ChemDiv1_003402 COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 K15 compound treatment 0.25 0.03 1.48 0.254 0.00741 0.38 1.3147 0.8615 1946141 ChemDiv1_003403 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(Br)cc3)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 K16 compound treatment 0.266 0.046 2.27 0.268 0.0214 1.1 2.3816 0.9452 1971999 ChemDiv1_003404 COc1ccccc1OCCOc2c(Cl)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 K17 compound treatment 0.303 0.083 4.09 0.329 0.0824 4.24 5.8907 0.9998 1933204 ChemDiv1_003405 CCOc1ccc2nc(SCc3c[nH]c4cc(ccc34)[N+](=O)[O-])sc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 K18 compound treatment 0.263 0.043 2.12 0.269 0.0224 1.15 2.3135 0.9592 1972000 ChemDiv1_003406 [O-][N+](=O)c1ccc(OCCOc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 K19 compound treatment 0.27 0.05 2.46 0.273 0.0264 1.36 2.7029 0.9608 1972001 ChemDiv1_003407 Brc1ccc(cc1)S(=O)(=O)CCc2nnc(NC(=O)c3cccs3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 K20 compound treatment 0.253 0.033 1.63 0.255 0.00841 0.43 1.4556 0.8653 1972002 ChemDiv1_003408 COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCBr 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 K21 compound treatment 0.25 0.03 1.48 0.252 0.00541 0.28 1.2419 0.8259 1972003 ChemDiv1_003409 Cc1ccc(cc1C)S(=O)(=O)CCc2nnc(NC(=O)c3ccc(cc3)[N+](=O)[O-])s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 K22 compound treatment 0.266 0.046 2.27 0.271 0.0244 1.26 2.4908 0.9614 1933479 ChemDiv1_003410 CCn1c(SCC(=O)c2ccccc2)nc3sc4COC(C)(C)Cc4c3c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 K23 mock treatment 0.247 0.027 1.33 0.253 0.00641 0.33 1.1738 0.8567 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 K24 mock treatment 0.21 -0.01 -0.49 0.252 0.00541 0.28 -0.1512 -0.2672 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 L01 compound treatment 0.224 0.004 0.2 0.256 0.00941 0.48 0.482 0.9213 1610231 ChemDiv1_003411 OC(=O)CCC(=O)N1N=C(CC1c2cn(nc2c3ccccc3)c4ccccc4)c5ccc(Br)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 L02 compound treatment 0.252 0.032 1.58 0.257 0.0104 0.54 1.4936 0.8971 1182586 ChemDiv1_003412 NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 L03 compound treatment 0.255 0.035 1.72 0.258 0.0114 0.59 1.6344 0.8974 1339606 ChemDiv1_003413 COc1cc(OC)cc(c1)C(=O)Nc2ccc3oc(nc3c2)c4ccc(OC)c(Cl)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 L04 compound treatment 0.251 0.031 1.53 0.257 0.0104 0.54 1.4587 0.9014 1949633 ChemDiv1_003414 CCOC(=O)c1c(C)c(sc1NC(=O)c2cc3cc(Br)ccc3oc2=O)C(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 L05 compound treatment 0.278 0.058 2.86 0.27 0.0234 1.21 2.8723 0.9264 1356931 ChemDiv1_003415 CCCOC(=O)C1=C(C)NC2=C(C1c3cc(Br)c(O)c(OC)c3)C(=O)CC(C2)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 L06 compound treatment 0.304 0.084 4.14 0.311 0.0644 3.32 5.2703 0.994 1222926 ChemDiv1_003416 CC1=C(C(C2=C(CCCC2=O)N1)c3coc4ccccc4c3=O)C(=O)OCC5CCCO5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 L07 compound treatment 0.26 0.04 1.97 0.261 0.0144 0.74 1.9178 0.911 1140644 ChemDiv1_003417 CCOc1cc(ccc1OC(=O)C)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(OC)cc4)C(=O)OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 L08 compound treatment 0.297 0.077 3.79 0.286 0.0394 2.03 4.1164 0.9571 1700704 ChemDiv1_003418 Cc1nc2ccccc2c(=O)n1NC(=O)c3cc(nc4ccccc34)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 L09 compound treatment 0.273 0.053 2.61 0.276 0.0294 1.51 2.9166 0.9665 1374217 ChemDiv1_003419 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4ccc(O)c(OC)c4)C(=O)OCC(C)C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 L10 compound treatment 0.297 0.077 3.79 0.288 0.0414 2.13 4.1892 0.9629 1972004 ChemDiv1_003420 CC(=O)c1sc(nc1C)N2N=C(CC2c3ccc(F)cc3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 L11 compound treatment 0.282 0.062 3.05 0.282 0.0354 1.82 3.4484 0.9696 1349609 ChemDiv1_003421 CCCOc1ccc(cc1)C2NC(=O)NC(=C2C(=O)OCc3ccc(OC)cc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 L12 compound treatment 0.283 0.063 3.1 0.29 0.0434 2.23 3.7745 0.987 1972005 ChemDiv1_003422 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3coc4ccc(Cl)cc4c3=O)C(=O)OCCOc5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 L13 compound treatment 0.294 0.074 3.64 0.294 0.0474 2.44 4.3032 0.981 1621369 ChemDiv1_003423 Cc1cc(C)nc(n1)N(CN2C(=O)c3ccccc3S2(=O)=O)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 L14 compound treatment 0.255 0.035 1.72 0.253 0.00641 0.33 1.4524 0.8275 1422482 ChemDiv1_003424 Nc1nc(CSc2nc(N)c3nc[nH]c3n2)cs1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 L15 compound treatment 0.251 0.031 1.53 0.259 0.0124 0.64 1.5315 0.9253 1481333 ChemDiv1_003425 Cc1cc(C)n(n1)c2cc(C)nc(NS(=O)(=O)c3ccc(C)cc3)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 L16 compound treatment 0.304 0.084 4.14 0.295 0.0484 2.49 4.6878 0.9706 1558798 ChemDiv1_003426 CCOc1cc(cc(Cl)c1O)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc(OC)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 L17 compound treatment 0.257 0.037 1.82 0.265 0.0184 0.95 1.9589 0.9536 1972006 ChemDiv1_003427 CN(C)c1nc(OCCOC(=O)c2ccccc2)nc(n1)N(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 L18 compound treatment 0.285 0.065 3.2 0.294 0.0474 2.44 3.9897 0.991 1406508 ChemDiv1_003428 COc1cc(cc(OC)c1OC)C(=O)N2N=C(CC2c3ccccc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 L19 compound treatment 0.251 0.031 1.53 0.253 0.00641 0.33 1.3131 0.8406 1972007 ChemDiv1_003429 CCNc1nc(NC(C)C)nc(SCCOc2ccccc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 L20 compound treatment 0.279 0.059 2.91 0.298 0.0514 2.65 3.9264 0.9989 1972008 ChemDiv1_003430 CCOC(=O)c1ccc(Nc2nc3nonc3nc2N4CCC(Cc5ccccc5)CC4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 L21 compound treatment 0.255 0.035 1.72 0.255 0.00841 0.43 1.5252 0.8581 1300331 ChemDiv1_003431 COc1nc(nc(C)c1Br)N(CC=C)S(=O)(=O)c2ccc(C)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 L22 compound treatment 0.249 0.029 1.43 0.254 0.00741 0.38 1.2799 0.8657 1972009 ChemDiv1_003432 CC/1=NN(C(=O)\C1=C\c2ccc(o2)c3ccc4COC(=O)c4c3)c5ccc(Br)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 L23 mock treatment 0.251 0.031 1.53 0.254 0.00741 0.38 1.3495 0.8575 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 L24 mock treatment 0.214 -0.006 -0.3 0.253 0.00641 0.33 0.0245 0.0553 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 M01 compound treatment 0.233 0.013 0.64 0.246 -5.86E-4 -0.03 0.4314 0.673 1705941 ChemDiv1_003433 Cc1ccc(o1)c2cc(C(=O)Nc3c(C)n(C)n(c4ccccc4)c3=O)c5ccccc5n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 M02 compound treatment 0.25 0.03 1.48 0.258 0.0114 0.59 1.4603 0.9184 1972010 ChemDiv1_003434 CC(C)(C)c1ccc2[nH]c3c(cc(NC4CCCCC4)c5c(=O)c6ccccc6c(=O)c35)oc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 M03 compound treatment 0.251 0.031 1.53 0.255 0.00841 0.43 1.3859 0.8732 1972011 ChemDiv1_003435 COc1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(OC)c3OC)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 M04 compound treatment 0.246 0.026 1.28 0.255 0.00841 0.43 1.2118 0.8964 1530636 ChemDiv1_003436 CC1CC(Nc2ccc(C)cc2)c3cccc(C)c3N1C(=O)c4ccccc4C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 M05 compound treatment 0.251 0.031 1.53 0.255 0.00841 0.43 1.3859 0.8732 1972012 ChemDiv1_003437 CCOc1ccc(cc1)N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)O)c(Cl)c3)/C(=O)NC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 M06 compound treatment 0.253 0.033 1.63 0.258 0.0114 0.59 1.5648 0.9054 1523741 ChemDiv1_003438 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Cl)c(Cl)c2)C(=O)Nc3ccccc3F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 M07 compound treatment 0.247 0.027 1.33 0.256 0.00941 0.48 1.283 0.9065 1972013 ChemDiv1_003439 COc1ccc(cc1)N2C(=O)/C(=C/c3ccc(OCc4ccc(cc4)C(=O)O)c(OC)c3)/C(=O)NC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 M08 compound treatment 0.37 0.15 7.39 0.355 0.108 5.58 9.1706 0.9904 1161372 ChemDiv1_003440 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4ccncc4)C(=O)OCCc5ccccc5)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 M09 compound treatment 0.25 0.03 1.48 0.253 0.00641 0.33 1.2783 0.8443 1945768 ChemDiv1_003441 CCc1ccc(cc1)N2C(=O)/C(=C/c3ccc(OCC(=O)O)c(OC)c3)/C(=O)NC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 M10 compound treatment 0.259 0.039 1.92 0.264 0.0174 0.9 1.9922 0.9398 1736489 ChemDiv1_003442 CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)c4ccccc4F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 M11 compound treatment 0.249 0.029 1.43 0.254 0.00741 0.38 1.2799 0.8657 1972014 ChemDiv1_003443 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccccc3)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 M12 compound treatment 0.256 0.036 1.77 0.258 0.0114 0.59 1.6693 0.8936 1972015 ChemDiv1_003444 COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCCOc3cccc(C)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 M13 compound treatment 0.255 0.035 1.72 0.252 0.00541 0.28 1.416 0.8109 1972016 ChemDiv1_003445 CCOc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)OC)c(OC)c3)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 M14 compound treatment 0.252 0.032 1.58 0.257 0.0104 0.54 1.4936 0.8971 1943089 ChemDiv1_003446 COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 M15 compound treatment 0.246 0.026 1.28 0.253 0.00641 0.33 1.139 0.8613 1946074 ChemDiv1_003447 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(OC)cc3)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 M16 compound treatment 0.259 0.039 1.92 0.256 0.00941 0.48 1.7009 0.8586 1972017 ChemDiv1_003448 COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OCCOc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 M17 compound treatment 0.266 0.046 2.27 0.263 0.0164 0.84 2.1995 0.9096 1413611 ChemDiv1_003449 COc1ccc(cc1OC)C(=O)Nc2nnc(CCS(=O)(=O)c3ccc4ccccc4c3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 M18 compound treatment 0.261 0.041 2.02 0.265 0.0184 0.95 2.0982 0.9406 1923260 ChemDiv1_003450 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc3ccc(cc3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 M19 compound treatment 0.258 0.038 1.87 0.264 0.0174 0.9 1.9573 0.9432 1783241 ChemDiv1_003451 Cc1ccc(cc1)S(=O)(=O)CCc2nnc(NC(=O)c3ccc(C)c(c3)[N+](=O)[O-])s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 M20 compound treatment 0.252 0.032 1.58 0.254 0.00741 0.38 1.3843 0.8537 1943259 ChemDiv1_003452 CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc3ccc(cc3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 M21 compound treatment 0.281 0.061 3.0 0.274 0.0274 1.41 3.1224 0.9407 1356589 ChemDiv1_003453 COc1cccc(c1)C(=O)Nc2nnc(CCS(=O)(=O)c3cc(Cl)ccc3Cl)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 M22 compound treatment 0.248 0.028 1.38 0.256 0.00941 0.48 1.3178 0.9015 1972018 ChemDiv1_003454 CC1(C)Cc2c(CO1)sc3nc(SCC#N)n(c4ccccc4)c(=O)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 M23 mock treatment 0.246 0.026 1.28 0.252 0.00541 0.28 1.1026 0.8413 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 M24 mock treatment 0.185 -0.035 -1.72 0.236 -0.0106 -0.54 -1.6043 -0.8874 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 N01 compound treatment 0.243 0.023 1.13 0.251 0.00441 0.23 0.9617 0.8324 1972019 ChemDiv1_003455 COc1ccc(cc1OC)C2CC(=NN2C(=O)C)c3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 N02 compound treatment 0.246 0.026 1.28 0.252 0.00541 0.28 1.1026 0.8413 1710765 ChemDiv1_003456 OC(COc1ccc2ccccc2c1)CN3C(=O)c4ccccc4S3(=O)=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 N03 compound treatment 0.244 0.024 1.18 0.257 0.0104 0.54 1.2149 0.936 1972020 ChemDiv1_003457 COc1cc(cc(OC)c1OC)C(=O)OCCCNC2=NS(=O)(=O)c3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 N04 compound treatment 0.246 0.026 1.28 0.248 0.00141 0.07 0.957 0.7461 1972021 ChemDiv1_003458 CCOCCOC(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 N05 compound treatment 0.28 0.06 2.96 0.28 0.0334 1.72 3.306 0.9668 1784068 ChemDiv1_003459 CCCOC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3[N+](=O)[O-])C(=O)CC(C2)c5ccc(Cl)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 N06 compound treatment 0.265 0.045 2.22 0.272 0.0254 1.31 2.4923 0.9684 1415476 ChemDiv1_003460 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3coc4ccc(Cl)cc4c3=O)C(=O)OCCc5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 N07 compound treatment 0.277 0.057 2.81 0.281 0.0344 1.77 3.2379 0.9754 1972022 ChemDiv1_003461 CCSCCOC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3[N+](=O)[O-])C(=O)CC(C2)c5ccc(OC)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 N08 compound treatment 0.265 0.045 2.22 0.255 0.00841 0.43 1.8735 0.8296 1430680 ChemDiv1_003462 COc1ccc(cc1Br)C(=O)Nn2c(nc3ccccc3c2=O)c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 N09 compound treatment 0.296 0.076 3.74 0.28 0.0334 1.72 3.8632 0.9378 1972023 ChemDiv1_003463 CCSCCOC(=O)C1=C(C)NC2=C(C1c3cccc(O)c3)C(=O)CC(C2)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 N10 compound treatment 0.324 0.104 5.12 0.319 0.0724 3.73 6.258 0.9878 1972024 ChemDiv1_003464 CCCCc1c(C#N)c(N)nc2sc(C(=O)c3ccc(cc3)[N+](=O)[O-])c(N)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 N11 compound treatment 0.267 0.047 2.31 0.273 0.0264 1.36 2.5984 0.9678 1242152 ChemDiv1_003465 CC1=C(C(NC(=O)N1)c2ccc(OCc3ccccc3)cc2)C(=O)OCC4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 N12 compound treatment 0.296 0.076 3.74 0.288 0.0414 2.13 4.1544 0.9644 1242806 ChemDiv1_003466 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3coc4ccc(Cl)cc4c3=O)C(=O)OCC5CCCO5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 N13 compound treatment 0.256 0.036 1.77 0.258 0.0114 0.59 1.6693 0.8936 1972025 ChemDiv1_003467 Cc1cc(C)n(n1)c2cc(C)nc(N)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 N14 compound treatment 0.249 0.029 1.43 0.252 0.00541 0.28 1.2071 0.8294 1925786 ChemDiv1_003468 Cc1nnc(SCC(=O)OCN2C(=O)c3ccccc3C2=O)[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 N15 compound treatment 0.255 0.035 1.72 0.253 0.00641 0.33 1.4524 0.8275 1354691 ChemDiv1_003469 Cc1cc(C)n(n1)c2cc(C)nc(NS(=O)(=O)c3ccccc3)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 N16 compound treatment 0.323 0.103 5.07 0.31 0.0634 3.26 5.8956 0.9773 1947478 ChemDiv1_003470 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc(Br)ccc5OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 N17 compound treatment 0.247 0.027 1.33 0.257 0.0104 0.54 1.3194 0.9202 1972026 ChemDiv1_003471 CCNc1nc(NCC)nc(OCCOC(=O)c2ccccc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 N18 compound treatment 0.279 0.059 2.91 0.275 0.0284 1.46 3.0891 0.9495 1972027 ChemDiv1_003472 COc1ccc(cc1)C2CC(=NN2C(=O)c3ccccc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 N19 compound treatment 0.249 0.029 1.43 0.251 0.00441 0.23 1.1707 0.8094 1972028 ChemDiv1_003473 CCOc1nc(SCCOc2ccccc2)nc(n1)N(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 N20 compound treatment 0.273 0.053 2.61 0.272 0.0254 1.31 2.771 0.949 1951367 ChemDiv1_003474 CCOc1c(Br)cc(cc1OC)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 N21 compound treatment 0.246 0.026 1.28 0.26 0.0134 0.69 1.3938 0.958 1590736 ChemDiv1_003475 COc1cc(C)nc(n1)N(Cc2ccccc2)S(=O)(=O)c3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 N22 compound treatment 0.246 0.026 1.28 0.25 0.00341 0.18 1.0298 0.7967 1972029 ChemDiv1_003476 CC/1=NN(C(=O)\C1=C\c2ccc(o2)c3ccc4COC(=O)c4c3)c5cccc(Br)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 N23 mock treatment 0.238 0.018 0.89 0.255 0.00841 0.43 0.9332 0.9457 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 N24 mock treatment 0.186 -0.034 -1.67 0.246 -5.86E-4 -0.03 -1.2055 -0.7197 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 O01 compound treatment 0.206 -0.014 -0.69 0.217 -0.0296 -1.52 -1.5646 -0.9358 1706680 ChemDiv1_003477 Cc1cc(NC(=O)c2cc(nc3ccccc23)c4ccc(Br)cc4)no1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 O02 compound treatment 0.227 0.007 0.34 0.251 0.00441 0.23 0.4045 0.9795 1972030 ChemDiv1_003478 Cc1ccc(Nc2cc3oc4cc(C)ccc4[nH]c3c5c(=O)c6ccccc6c(=O)c25)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 O03 compound treatment 0.234 0.014 0.69 0.254 0.00741 0.38 0.7575 0.9611 1972031 ChemDiv1_003479 COc1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3ccc(OC(=O)c4cccs4)c(OC)c3)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 O04 compound treatment 0.254 0.034 1.67 0.262 0.0154 0.79 1.7452 0.9418 1202017 ChemDiv1_003480 COc1ccc2c(C)nc(Nc3nc(O)cc(n3)c4ccccc4)nc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 O05 compound treatment 0.246 0.026 1.28 0.257 0.0104 0.54 1.2846 0.9253 1972032 ChemDiv1_003481 COc1ccc(cc1)N2C(=O)/C(=C/c3ccc(OCc4ccccc4C#N)c(OC)c3)/C(=O)NC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 O06 compound treatment 0.247 0.027 1.33 0.256 0.00941 0.48 1.283 0.9065 1972033 ChemDiv1_003482 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Cl)c(c2)[N+](=O)[O-])C(=O)Nc3ccccc3F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 O07 compound treatment 0.234 0.014 0.69 0.25 0.00341 0.18 0.6118 0.8598 1928207 ChemDiv1_003483 CCc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)c(OC)c3)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 O08 compound treatment 0.273 0.053 2.61 0.282 0.0354 1.82 3.135 0.9846 1972034 ChemDiv1_003484 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cc(Cl)c(O)c(OC)c3)C(=O)CC(C2)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 O09 compound treatment 0.244 0.024 1.18 0.253 0.00641 0.33 1.0693 0.8713 1972035 ChemDiv1_003485 COc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(cc3)C(C)C)ccc1OCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 O10 compound treatment 0.267 0.047 2.31 0.262 0.0154 0.79 2.198 0.8982 1673480 ChemDiv1_003486 CN(C)CCn1c(NC(=O)c2ccc(Cl)cc2)nc3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 O11 compound treatment 0.243 0.023 1.13 0.252 0.00541 0.28 0.9981 0.8556 1945589 ChemDiv1_003487 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(C)cc3)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 O12 compound treatment 0.239 0.019 0.94 0.255 0.00841 0.43 0.968 0.9387 1972036 ChemDiv1_003488 COc1ccccc1OCCOc2c(Cl)cc(C=C3C(=O)NC(=O)NC3=O)cc2OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 O13 compound treatment 0.249 0.029 1.43 0.247 4.14E-4 0.02 1.025 0.7176 1972037 ChemDiv1_003489 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccccc3)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 O14 compound treatment 0.247 0.027 1.33 0.253 0.00641 0.33 1.1738 0.8567 1972038 ChemDiv1_003490 CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 O15 compound treatment 0.23 0.01 0.49 0.253 0.00641 0.33 0.5817 0.9811 1972039 ChemDiv1_003491 CCOc1ccc(cc1)N2C(=O)/C(=C/c3ccc(OCC(=O)OC)c(OC)c3)/C(=O)NC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 O16 compound treatment 0.255 0.035 1.72 0.248 0.00141 0.07 1.2704 0.7363 1972040 ChemDiv1_003492 COc1ccccc1OCCOc2c(Br)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 O17 compound treatment 0.254 0.034 1.67 0.269 0.0224 1.15 2.0 0.9835 1487104 ChemDiv1_003493 COc1ccc(cc1OC)C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(C)cc3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 O18 compound treatment 0.252 0.032 1.58 0.259 0.0124 0.64 1.5664 0.921 1972041 ChemDiv1_003494 CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc3ccc(cc3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 O19 compound treatment 0.294 0.074 3.64 0.299 0.0524 2.7 4.4852 0.9891 1783242 ChemDiv1_003495 Cc1ccc(cc1[N+](=O)[O-])C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Cl)cc3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 O20 compound treatment 0.247 0.027 1.33 0.254 0.00741 0.38 1.2102 0.8747 1926411 ChemDiv1_003496 COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc3ccc(cc3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 O21 compound treatment 0.268 0.048 2.36 0.285 0.0384 1.98 3.0701 0.9961 1972042 ChemDiv1_003497 O=C/1N\C(=N\S(=O)(=O)c2ccccc2)\S\C1=C/c3ccc4OCOc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 O22 compound treatment 0.216 -0.004 -0.2 0.255 0.00841 0.43 0.167 0.3509 1932970 ChemDiv1_003498 COC(=O)CSc1nc2sc3COC(C)(C)Cc3c2c(=O)n1c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 O23 mock treatment 0.221 0.001 0.05 0.253 0.00641 0.33 0.2683 0.8037 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 O24 mock treatment 0.198 -0.022 -1.08 0.222 -0.0246 -1.27 -1.6612 -0.997 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 P01 compound treatment 0.179 -0.041 -2.02 0.189 -0.0576 -2.96 -3.5242 -0.9825 1540792 ChemDiv1_003499 COc1ccc(cc1OC)C2CC(=NN2C(=O)CCC(=O)O)c3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 P02 compound treatment 0.203 -0.017 -0.84 0.22 -0.0266 -1.37 -1.5599 -0.9722 1443933 ChemDiv1_003500 COC(=O)c1ccc(OCC(O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 P03 compound treatment 0.205 -0.015 -0.74 0.218 -0.0286 -1.47 -1.563 -0.9492 1972043 ChemDiv1_003501 COc1ccc(cc1)C(=O)OCCCN(C2=NS(=O)(=O)c3ccccc23)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 P04 compound treatment 0.196 -0.024 -1.18 0.231 -0.0156 -0.8 -1.4032 -0.9822 1605288 ChemDiv1_003502 CCOC(=O)c1c(NC(=O)c2cc3cc(Br)ccc3oc2=O)sc4CCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 P05 compound treatment 0.212 -0.008 -0.39 0.222 -0.0246 -1.27 -1.1736 -0.8853 1151055 ChemDiv1_003503 COC(=O)C1=C(C)NC2=C(C1c3ccc(OC)c(Br)c3)C(=O)CC(C2)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 P06 compound treatment 0.289 0.069 3.4 0.239 -0.00759 -0.39 2.1269 0.6218 1381848 ChemDiv1_003504 COc1ccc(COC(=O)C2=C(C)NC3=C(C2c4coc5ccccc5c4=O)C(=O)CC(C)(C)C3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 P07 compound treatment 0.216 -0.004 -0.2 0.233 -0.0136 -0.7 -0.6339 -0.8723 1972044 ChemDiv1_003505 CCOCCOC(=O)C1=C(C)NC2=C(C1c3ccc(OC)c(OC)c3)C(=O)CC(C2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 P08 compound treatment 0.256 0.036 1.77 0.267 0.0204 1.05 1.9969 0.9688 1972045 ChemDiv1_003506 [O-][N+](=O)c1cccc(c1)c2nc3ccccc3c(=O)n2NC(=O)/C=C/c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 P09 compound treatment 0.276 0.056 2.76 0.266 0.0194 1.0 2.657 0.9057 1467938 ChemDiv1_003507 CCCOC(=O)C1=C(C)NC2=C(C1c3ccc(OC)cc3OC)C(=O)CC(C2)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 P10 compound treatment 0.258 0.038 1.87 0.259 0.0124 0.64 1.7753 0.8977 1611605 ChemDiv1_003508 COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c3cccc(Oc4ccccc4)c3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 P11 compound treatment 0.205 -0.015 -0.74 0.203 -0.0436 -2.24 -2.109 -0.8928 1972046 ChemDiv1_003509 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccccc2F)C(=O)Nc3cccc(c3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 P12 compound treatment 0.206 -0.014 -0.69 0.198 -0.0486 -2.5 -2.2562 -0.8696 1686944 ChemDiv1_003510 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Cl)cc2Cl)C(=O)Nc3ccccc3C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 P13 compound treatment 0.195 -0.025 -1.23 0.195 -0.0516 -2.66 -2.7485 -0.9389 1736462 ChemDiv1_003511 COC(=O)CN(c1nc(C)cc(OC)n1)S(=O)(=O)c2ccc(C)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 P14 compound treatment 0.205 -0.015 -0.74 0.2 -0.0466 -2.4 -2.2183 -0.8839 1972047 ChemDiv1_003512 O=C(CSc1ncn[nH]1)NC2CCCCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 P15 compound treatment 0.195 -0.025 -1.23 0.194 -0.0526 -2.71 -2.7849 -0.9364 1278413 ChemDiv1_003513 Cc1cc(C)n(n1)c2cc(C)nc(NS(=O)(=O)c3ccccc3Cl)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 P16 compound treatment 0.239 0.019 0.94 0.233 -0.0136 -0.7 0.1671 0.1431 1972048 ChemDiv1_003514 CC(C)OCCOC(=O)C1=C(C)NC2=C(C1c3coc4ccccc4c3=O)C(=O)CCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 P17 compound treatment 0.197 -0.023 -1.13 0.236 -0.0106 -0.54 -1.1864 -0.9438 1972049 ChemDiv1_003515 CCNc1nc(NC(C)C)nc(OCCOC(=O)c2ccccc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 P18 compound treatment 0.196 -0.024 -1.18 0.209 -0.0376 -1.93 -2.2041 -0.972 1124611 ChemDiv1_003516 O=C(N1N=C(CC1c2ccc3OCOc3c2)c4ccccc4)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 P19 compound treatment 0.214 -0.006 -0.3 0.225 -0.0216 -1.11 -0.9948 -0.8651 1972050 ChemDiv1_003517 CCNc1nc(NC(C)C)nc(SCCOc2ccc(C)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 P20 compound treatment 0.216 -0.004 -0.2 0.208 -0.0386 -1.99 -1.5439 -0.7734 1157509 ChemDiv1_003518 CCOC(=O)C1=C(C)NC(=O)NC1c2cc(Br)c(OCc3ccccc3)c(OC)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 P21 compound treatment 0.189 -0.031 -1.53 0.198 -0.0486 -2.5 -2.8483 -0.972 1568401 ChemDiv1_003519 COc1cc(C)nc(n1)N(Cc2ccccc2)S(=O)(=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 P22 compound treatment 0.192 -0.028 -1.38 0.197 -0.0496 -2.55 -2.7802 -0.9582 1972051 ChemDiv1_003520 COc1cc(/C=C/2\C(=NN(C2=O)c3ccc(F)cc3)C)ccc1OCc4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 P23 mock treatment 0.176 -0.044 -2.17 0.217 -0.0296 -1.52 -2.6094 -0.9851 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.596 P24 mock treatment 0.19 -0.03 -1.48 0.186 -0.0606 -3.12 -3.2503 -0.9418 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 A01 compound treatment 0.177 -0.0687 -3.38 0.179 -0.0561 -2.89 -4.4361 -0.9969 1972052 ChemDiv1_003521 COC(=O)c1cccc(c1)c2ccc(/C=C/3\Sc4ccccc4C3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 A02 compound treatment 0.362 0.116 5.73 0.352 0.117 6.02 8.3045 0.9997 1972053 ChemDiv1_003522 OCCN1CCN(CC1)c2ccc(cc2n3nc(c4ccccc4)c5ccccc5c3=O)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 A03 compound treatment 0.209 -0.0367 -1.81 0.2 -0.0351 -1.81 -2.5572 -1.0 1972054 ChemDiv1_003523 [O-][N+](=O)c1cccc(NC(=O)c2cc(nc3ccccc23)c4ccccc4)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 A04 compound treatment 0.195 -0.0507 -2.5 0.207 -0.0281 -1.45 -2.79 -0.9664 1972055 ChemDiv1_003524 CN1CCN(Cc2c(O)ccc3c(=O)c(Oc4ccc(cc4)C(C)(C)C)c(oc23)C(F)(F)F)CC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 A05 compound treatment 0.225 -0.0207 -1.02 0.228 -0.00713 -0.37 -0.9807 -0.9049 1972056 ChemDiv1_003525 CC1CCC2C(C1)C(=O)N(C2=O)c3cc(Cl)ccc3O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 A06 compound treatment 0.193 -0.0527 -2.6 0.2 -0.0351 -1.81 -3.1144 -0.9844 1141663 ChemDiv1_003526 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Cl)cc2)C(=O)Nc3ccc4OCOc4c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 A07 compound treatment 0.207 -0.0387 -1.91 0.216 -0.0191 -0.99 -2.0444 -0.9528 1972057 ChemDiv1_003527 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3N(C2c4ccc(s4)[N+](=O)[O-])C(=O)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 A08 compound treatment 0.201 -0.0447 -2.2 0.207 -0.0281 -1.45 -2.581 -0.9794 1972058 ChemDiv1_003528 [O-][N+](=O)c1cccc(c1)c2nc3ccccc3c(=O)n2NC(=O)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 A09 compound treatment 0.237 -0.0087 -0.43 0.222 -0.0131 -0.68 -0.7812 -0.9758 1360827 ChemDiv1_003529 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3N(C2c4cccnc4)C(=O)Cc5ccc(Cl)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 A10 compound treatment 0.223 -0.0227 -1.12 0.233 -0.00213 -0.11 -0.8684 -0.7728 1407185 ChemDiv1_003530 COc1cc(cc(OC)c1OC)C(=O)Nn2c(nc3ccccc3c2=O)c4cccc(Cl)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 A11 compound treatment 0.191 -0.0547 -2.69 0.2 -0.0351 -1.81 -3.1841 -0.9812 1972059 ChemDiv1_003531 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3N(C2c4ccc(cc4)[N+](=O)[O-])C(=O)Cc5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 A12 compound treatment 0.216 -0.0297 -1.46 0.235 -1.33E-4 -0.01 -1.0393 -0.7104 1483635 ChemDiv1_003532 CCN(CC)c1ccc(cc1)C(=O)Nn2c(nc3ccccc3c2=O)c4cc(OC)c(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 A13 compound treatment 0.219 -0.0267 -1.32 0.236 8.67E-4 0.04 -0.8985 -0.6827 1741790 ChemDiv1_003533 CCOc1cc(ccc1O)C2N(C(=O)c3ccccc3)c4ccccc4NC5=C2C(=O)CC(C)(C)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 A14 compound treatment 0.2 -0.0457 -2.25 0.221 -0.0141 -0.73 -2.1062 -0.8903 1972060 ChemDiv1_003534 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)c4ccc(Cl)c(c4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 A15 compound treatment 0.209 -0.0367 -1.81 0.185 -0.0501 -2.58 -3.1033 -0.9848 1310272 ChemDiv1_003535 COc1ccccc1C2N(C(=O)Cc3ccccc3)c4ccccc4NC5=C2C(=O)CC(C)(C)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 A16 compound treatment 0.19 -0.0557 -2.74 0.186 -0.0491 -2.53 -3.7286 -0.9992 1947838 ChemDiv1_003536 CCOC(=O)c1c(C)c(sc1NC(=O)c2cccs2)C(=O)Nc3ccccc3C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 A17 compound treatment 0.208 -0.0377 -1.86 0.21 -0.0251 -1.29 -2.228 -0.9844 1972061 ChemDiv1_003537 COc1ccc(cc1)C2N(C(=O)C(F)(F)F)c3ccccc3NC4=C2C(=O)CC(C4)c5ccco5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 A18 compound treatment 0.192 -0.0537 -2.65 0.202 -0.0331 -1.71 -3.0765 -0.9775 1187227 ChemDiv1_003538 COc1ccc(cc1)C2=NN(C(C2)c3ccc(OC)c(OC)c3)C(=O)CCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 A19 compound treatment 0.204 -0.0417 -2.05 0.201 -0.0341 -1.76 -2.695 -0.997 1691001 ChemDiv1_003539 COc1cccc(c1)C2N(C(=O)Cc3ccccc3)c4ccccc4NC5=C2C(=O)CC(C)(C)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 A20 compound treatment 0.191 -0.0547 -2.69 0.189 -0.0461 -2.37 -3.5845 -0.998 1602615 ChemDiv1_003540 Cc1nc2sc(C(=O)c3ccc(Br)cc3)c(N)c2c(C)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 A21 compound treatment 0.193 -0.0527 -2.6 0.192 -0.0431 -2.22 -3.4057 -0.997 1972062 ChemDiv1_003541 CN1C(=C(C(NC1=O)c2ccccc2C(F)(F)F)C(=O)OCCc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 A22 compound treatment 0.202 -0.0437 -2.15 0.2 -0.0351 -1.81 -2.801 -0.9963 1972063 ChemDiv1_003542 Fc1ccc(cc1)c2nn3c(nnc3s2)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 A23 mock treatment 0.181 -0.0647 -3.19 0.2 -0.0351 -1.81 -3.5324 -0.964 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 A24 mock treatment 0.16 -0.0857 -4.22 0.182 -0.0531 -2.74 -4.919 -0.9779 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 B01 compound treatment 0.199 -0.0467 -2.3 0.197 -0.0381 -1.96 -3.0147 -0.9969 1478825 ChemDiv1_003543 CC1(C)Cc2c(C#N)c(SCC(=O)c3ccccc3)nc(N4CCOCC4)c2CO1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 B02 compound treatment 0.25 0.0043 0.21 0.255 0.0199 1.02 0.8728 0.8357 1730423 ChemDiv1_003544 CCOc1cc(C=c2sc3nc4ccccc4n3c2=O)cc(Br)c1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 B03 compound treatment 0.308 0.0623 3.07 0.308 0.0729 3.75 4.8221 0.995 1369892 ChemDiv1_003545 COc1cc(OC)cc(c1)c2nc3ccccc3c(=O)n2NC(=O)COc4ccc(Cl)cc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 B04 compound treatment 0.253 0.0073 0.36 0.254 0.0189 0.97 0.9409 0.9085 1600020 ChemDiv1_003546 COc1ccc(cc1Br)C(=O)On2c(nc3ccccc3c2=O)c4ccccc4F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 B05 compound treatment 0.267 0.0213 1.05 0.263 0.0279 1.43 1.7561 0.9882 1323604 ChemDiv1_003547 COc1ccc(Br)c(c1)C(=O)Nn2c(nc3ccccc3c2=O)c4cccc(C)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 B06 compound treatment 0.258 0.0123 0.61 0.256 0.0209 1.07 1.1878 0.9632 1385707 ChemDiv1_003548 CC(C)(C)C1CCC(CC1)C(=O)On2c(nc3ccccc3c2=O)c4cccc(Cl)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 B07 compound treatment 0.259 0.0133 0.65 0.263 0.0279 1.43 1.4775 0.9369 1469351 ChemDiv1_003549 COc1cc(cc(OC)c1OC)C2Nc3cc(C)ccc3NC4=C2C(=O)CC(C4)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 B08 compound treatment 0.261 0.0153 0.75 0.263 0.0279 1.43 1.5471 0.9548 1972064 ChemDiv1_003550 CCOc1ccc(Br)cc1C2C(=C(N)Oc3c2c(=O)oc4ccccc34)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 B09 compound treatment 0.257 0.0113 0.56 0.261 0.0259 1.33 1.335 0.925 1374056 ChemDiv1_003551 COc1ccc(cc1COc2ccccn2)C3Nc4ccccc4C(=O)N3c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 B10 compound treatment 0.258 0.0123 0.61 0.257 0.0219 1.13 1.2242 0.9577 1972065 ChemDiv1_003552 CCCC1=C(C(C(=C(N)O1)C#N)c2cccnc2)C(=O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 B11 compound treatment 0.254 0.0083 0.41 0.256 0.0209 1.07 1.0485 0.9123 1638651 ChemDiv1_003553 COc1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccc(OC)c(COc5ccccn5)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 B12 compound treatment 0.257 0.0113 0.56 0.253 0.0179 0.92 1.0438 0.971 1972066 ChemDiv1_003554 COC(=O)C1=C(N)OC2=C(C1c3cccc(Br)c3)C(=O)CC(C)(C)C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 B13 compound treatment 0.287 0.0413 2.03 0.297 0.0619 3.18 3.6903 0.9765 1454062 ChemDiv1_003555 COc1ccc(cc1CSc2nc3ccccc3s2)C4Nc5ccccc5C(=O)N4c6ccc(F)cc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 B14 compound treatment 0.252 0.0063 0.31 0.254 0.0189 0.97 0.9061 0.8887 1187408 ChemDiv1_003556 CCOc1ccc(cc1OCC)C2C(=C(N)Oc3c2c(=O)oc4ccccc34)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 B15 compound treatment 0.267 0.0213 1.05 0.269 0.0339 1.74 1.9745 0.9704 1605039 ChemDiv1_003557 COc1ccc(cc1COc2ccc(Cl)cc2)C3Nc4ccccc4C(=O)N3c5ccc(C)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 B16 compound treatment 0.259 0.0133 0.65 0.261 0.0259 1.33 1.4047 0.9466 1972067 ChemDiv1_003558 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C2c3ccc(cc3)C4C(=C(N)OC5=C4C(=O)CC(C)(C)C5)C#N)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 B17 compound treatment 0.308 0.0623 3.07 0.308 0.0729 3.75 4.8221 0.995 1508675 ChemDiv1_003559 COc1ccc(cc1COc2ccccc2F)C3Nc4ccccc4C(=O)N3Cc5ccco5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 B18 compound treatment 0.252 0.0063 0.31 0.252 0.0169 0.87 0.8333 0.9037 1972068 ChemDiv1_003560 COc1ccc(cc1COc2ccc([N+](=O)[O-])c(C)c2)C3C(=C(N)OC4=C3C(=O)CC(C)(C)C4)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 B19 compound treatment 0.255 0.0093 0.46 0.254 0.0189 0.97 1.0106 0.9411 1972069 ChemDiv1_003561 COc1ccc(cc1COc2c(C)cccc2C)C3Nc4ccccc4C(=O)N3c5cccc6ccccc56 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 B20 compound treatment 0.248 0.0023 0.11 0.249 0.0139 0.71 0.5848 0.809 1972070 ChemDiv1_003562 Cc1nn(c2OC(=C(C#N)C3(C(=O)Nc4ccc(Br)cc43)c12)N)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 B21 compound treatment 0.266 0.0203 1.0 0.266 0.0309 1.59 1.8305 0.975 1972071 ChemDiv1_003563 CCOC(=O)C1=C(N)OC2=C(C1c3ccccc3[N+](=O)[O-])C(=O)CC(C)(C)C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 B22 compound treatment 0.25 0.0043 0.21 0.251 0.0159 0.82 0.7272 0.8618 1371861 ChemDiv1_003564 CCOC(=O)C1=C(N)Oc2c(C1c3c(F)cccc3Cl)c(=O)oc4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 B23 mock treatment 0.252 0.0063 0.31 0.253 0.0179 0.92 0.8697 0.896 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 B24 mock treatment 0.211 -0.0347 -1.71 0.207 -0.0281 -1.45 -2.2327 -0.9966 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 C01 compound treatment 0.237 -0.0087 -0.43 0.22 -0.0151 -0.78 -0.854 -0.9604 1783858 ChemDiv1_003565 [O-][N+](=O)c1c(Sc2ncnc3[nH]cnc23)ccc4nsnc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 C02 compound treatment 0.336 0.0903 4.45 0.309 0.0739 3.8 5.8337 0.997 1924205 ChemDiv1_003566 Cc1ccc(cc1C)c2nn(c3cc(ccc3[N+](=O)[O-])N4CCN(CCO)CC4)c(=O)c5ccccc25 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 C03 compound treatment 0.241 -0.0047 -0.23 0.241 0.00587 0.3 0.0497 0.1307 1741741 ChemDiv1_003567 COc1ccccc1NC(=O)c2cc(nc3ccccc23)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 C04 compound treatment 0.237 -0.0087 -0.43 0.241 0.00587 0.3 -0.0896 -0.1708 1972072 ChemDiv1_003568 CC(C)(C)c1ccc(Oc2c(oc3cc(OCC(=O)O)ccc3c2=O)C(F)(F)F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 C05 compound treatment 0.258 0.0123 0.61 0.251 0.0159 0.82 1.0058 0.9892 1972073 ChemDiv1_003569 CC1CCC2C(C1)C(=O)N(CNc3ccc(Br)cc3)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 C06 compound treatment 0.307 0.0613 3.02 0.304 0.0689 3.55 4.6417 0.9968 1429536 ChemDiv1_003570 CCCOc1ccc(cc1OC)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc(OC)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 C07 compound treatment 0.252 0.0063 0.31 0.254 0.0189 0.97 0.9061 0.8887 1783502 ChemDiv1_003571 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3N(C2c4ccc(s4)[N+](=O)[O-])C(=O)Cc5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 C08 compound treatment 0.255 0.0093 0.46 0.255 0.0199 1.02 1.047 0.9343 1972074 ChemDiv1_003572 Fc1ccccc1c2nc3ccccc3c(=O)n2NC(=O)/C=C/c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 C09 compound treatment 0.243 -0.0027 -0.13 0.245 0.00987 0.51 0.265 0.5047 1333813 ChemDiv1_003573 CN(C)c1ccc(cc1)C2N(C(=O)Cc3ccccc3)c4ccccc4NC5=C2C(=O)CC(C)(C)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 C10 compound treatment 0.244 -0.0017 -0.08 0.243 0.00787 0.4 0.227 0.5489 1385408 ChemDiv1_003574 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)c4ccccc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 C11 compound treatment 0.246 2.96E-4 0.01 0.253 0.0179 0.92 0.6607 0.7182 1972075 ChemDiv1_003575 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3N(C2c4ccc(cc4)[N+](=O)[O-])C(=O)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 C12 compound treatment 0.248 0.0023 0.11 0.246 0.0109 0.56 0.4755 0.8332 1463317 ChemDiv1_003576 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)c4ccccc4Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 C13 compound treatment 0.246 2.96E-4 0.01 0.253 0.0179 0.92 0.6607 0.7182 1972076 ChemDiv1_003577 CCCOc1cccc(c1)C2N(C(=O)C(F)(F)F)c3ccccc3NC4=C2C(=O)CC(C)(C)C4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 C14 compound treatment 0.252 0.0063 0.31 0.255 0.0199 1.02 0.9425 0.8819 1972077 ChemDiv1_003578 COc1ccc(cc1[N+](=O)[O-])C(=O)Nn2c(nc3ccccc3c2=O)c4cc(OC)c(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 C15 compound treatment 0.296 0.0503 2.48 0.298 0.0629 3.24 4.0402 0.9913 1941658 ChemDiv1_003579 CCC(=O)N1C(C2=C(CC(C)(C)CC2=O)Nc3ccccc13)c4ccc(o4)c5cccc(c5)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 C16 compound treatment 0.296 0.0503 2.48 0.294 0.0589 3.03 3.8946 0.995 1972078 ChemDiv1_003580 CCSCCOC(=O)C1=C(C)NC2=C(C1c3ccc(O)c(OC)c3)C(=O)CC(C2)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 C17 compound treatment 0.252 0.0063 0.31 0.254 0.0189 0.97 0.9061 0.8887 1169887 ChemDiv1_003581 CCC(=O)N1C(C2=C(CC(CC2=O)c3ccco3)Nc4ccccc14)c5ccc(OC)c(OC)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 C18 compound treatment 0.247 0.0013 0.06 0.251 0.0159 0.82 0.6227 0.7601 1137529 ChemDiv1_003582 COc1ccc(cc1)C2=NN(C(C2)c3cn(nc3c4ccccc4)c5ccccc5)C(=O)CCCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 C19 compound treatment 0.243 -0.0027 -0.13 0.241 0.00587 0.3 0.1194 0.3617 1294475 ChemDiv1_003583 COc1ccc(C2Nc3ccc(cc3NC4=C2C(=O)CC(C)(C)C4)C(=O)c5ccccc5)c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 C20 compound treatment 0.246 2.96E-4 0.01 0.245 0.00987 0.51 0.3695 0.7271 1972079 ChemDiv1_003584 Cc1cc(c(C#N)c(SCC(=O)c2ccc(cc2)[N+](=O)[O-])n1)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 C21 compound treatment 0.317 0.0713 3.51 0.303 0.0679 3.49 4.9535 1.0 1494965 ChemDiv1_003585 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccccc5Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 C22 compound treatment 0.245 -7.04E-4 -0.03 0.242 0.00687 0.35 0.2255 0.6347 1972080 ChemDiv1_003586 Clc1ccc(cc1)c2nnc3sc(nn23)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 C23 mock treatment 0.238 -0.0077 -0.38 0.239 0.00387 0.2 -0.1275 -0.2977 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 C24 mock treatment 0.216 -0.0297 -1.46 0.211 -0.0241 -1.24 -1.913 -0.9967 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 D01 compound treatment 0.228 -0.0177 -0.87 0.219 -0.0161 -0.83 -1.2039 -0.9997 1513188 ChemDiv1_003587 CC1(C)Cc2c(C#N)c(SCC(=O)c3ccc(Br)cc3)nc(N4CCOCC4)c2CO1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 D02 compound treatment 0.252 0.0063 0.31 0.25 0.0149 0.77 0.7605 0.9209 1949074 ChemDiv1_003588 COc1cc(C=c2sc3nc4ccccc4n3c2=O)cc(Br)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 D03 compound treatment 0.276 0.0303 1.49 0.262 0.0269 1.38 2.0331 0.9993 1972081 ChemDiv1_003589 COc1cc(OC)cc(c1)c2nc3ccccc3c(=O)n2NC(=O)/C=C/c4ccccc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 D04 compound treatment 0.256 0.0103 0.51 0.25 0.0149 0.77 0.8998 0.98 1289721 ChemDiv1_003590 Fc1ccccc1c2nc3ccccc3c(=O)n2OC(=O)c4ccccc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 D05 compound treatment 0.279 0.0333 1.64 0.268 0.0329 1.69 2.356 0.9999 1151856 ChemDiv1_003591 CCN(CC)c1ccc(cc1)C(=O)Nn2c(nc3ccccc3c2=O)c4ccc(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 D06 compound treatment 0.286 0.0403 1.98 0.274 0.0389 2.0 2.8182 1.0 1634062 ChemDiv1_003592 Cc1cccc(c1)c2nc3ccccc3c(=O)n2OC(=O)c4c(F)cccc4F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 D07 compound treatment 0.32 0.0743 3.66 0.314 0.0789 4.06 5.4585 0.9987 1273329 ChemDiv1_003593 Brc1cccc(c1)C2Nc3ccc(cc3NC4=C2C(=O)CCC4)C(=O)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 D08 compound treatment 0.277 0.0313 1.54 0.277 0.0419 2.16 2.614 0.9865 1121346 ChemDiv1_003594 CC1=C(C(C(=C(S)N1)C#N)c2cccs2)C(=O)OCC=C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 D09 compound treatment 0.271 0.0253 1.25 0.278 0.0429 2.21 2.4414 0.9634 1295486 ChemDiv1_003595 COc1ccc(cc1CSc2ccccn2)C3Nc4ccccc4C(=O)N3c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 D10 compound treatment 0.259 0.0133 0.65 0.258 0.0229 1.18 1.2955 0.9617 1972082 ChemDiv1_003596 COCCOC(=O)C1=C(N)OC2=C(C1c3ccccc3[N+](=O)[O-])C(=O)CCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 D11 compound treatment 0.28 0.0343 1.69 0.283 0.0479 2.46 2.9369 0.983 1262591 ChemDiv1_003597 COc1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccc(OC)c(COc5ccccc5F)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 D12 compound treatment 0.275 0.0293 1.44 0.274 0.0389 2.0 2.4351 0.9871 1972083 ChemDiv1_003598 CCCCOc1ccc(cc1OC)C2C(=C(N)Oc3c2c(=O)oc4ccccc34)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 D13 compound treatment 0.284 0.0383 1.89 0.299 0.0639 3.29 3.6586 0.9652 1420502 ChemDiv1_003599 CCOC(=O)c1ccccc1OCc2cc(ccc2OC)C3Nc4ccccc4C(=O)N3c5ccc(F)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 D14 compound treatment 0.258 0.0123 0.61 0.257 0.0219 1.13 1.2242 0.9577 1590080 ChemDiv1_003600 COc1cc(ccc1OC(C)C)C2C(=C(N)Oc3c2c(=O)oc4ccccc34)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 D15 compound treatment 0.27 0.0243 1.2 0.273 0.0379 1.95 2.2246 0.9725 1926561 ChemDiv1_003601 COc1ccc(cc1Cn2cc(cn2)[N+](=O)[O-])C3Nc4ccccc4C(=O)N3c5ccc(C)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 D16 compound treatment 0.274 0.0283 1.39 0.278 0.0429 2.21 2.5459 0.9754 1972084 ChemDiv1_003602 COc1ccc(cc1COc2ccccc2Br)C3C(=C(N)OC4=C3C(=O)CC(C)(C)C4)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 D17 compound treatment 0.283 0.0373 1.84 0.283 0.0479 2.46 3.0414 0.9895 1628129 ChemDiv1_003603 COc1ccc(cc1COc2cc(C)c(Cl)cc2C(C)C)C3Nc4ccccc4C(=O)N3Cc5ccco5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 D18 compound treatment 0.266 0.0203 1.0 0.276 0.0409 2.1 2.1945 0.9421 1972085 ChemDiv1_003604 COc1ccc(cc1COc2cccc(Cl)c2)C3C(=C(N)OC4=C3C(=O)CC(C)(C)C4)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 D19 compound treatment 0.266 0.0203 1.0 0.267 0.0319 1.64 1.8669 0.9718 1293465 ChemDiv1_003605 COc1cc(cc(OC)c1OC)C2Nc3ccccc3C(=O)N2c4cccc5ccccc45 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 D20 compound treatment 0.25 0.0043 0.21 0.255 0.0199 1.02 0.8728 0.8357 1203913 ChemDiv1_003606 Cc1cc2OC(=C(C#N)C3(C(=O)Nc4ccc(Br)cc43)c2c(=O)o1)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 D21 compound treatment 0.261 0.0153 0.75 0.259 0.0239 1.23 1.4015 0.9724 1403609 ChemDiv1_003607 CCOC(=O)C1=C(N)OC2=C(C1c3ccc(O)cc3)C(=O)CC(C)(C)C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 D22 compound treatment 0.288 0.0423 2.08 0.29 0.0549 2.82 3.4703 0.9888 1437882 ChemDiv1_003608 Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4ccccc34)c5ccccc5)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 D23 mock treatment 0.251 0.0053 0.26 0.251 0.0159 0.82 0.762 0.8887 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 D24 mock treatment 0.238 -0.0077 -0.38 0.236 8.67E-4 0.04 -0.2367 -0.6197 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 E01 compound treatment 0.242 -0.0037 -0.18 0.227 -0.00813 -0.42 -0.4251 -0.9307 1913169 ChemDiv1_003609 COc1cc(cc(OC)c1OC)C2NC(Cc3c2[nH]c4ccccc34)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 E02 compound treatment 0.255 0.0093 0.46 0.255 0.0199 1.02 1.047 0.9343 1972086 ChemDiv1_003610 Cc1cc(C)n(n1)c2cc(C)nc(n2)n3nc(C)cc3C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 E03 compound treatment 0.278 0.0323 1.59 0.281 0.0459 2.36 2.7944 0.9815 1493314 ChemDiv1_003611 CCOC(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)c4ccccc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 E04 compound treatment 0.262 0.0163 0.8 0.259 0.0239 1.23 1.4364 0.9787 1267526 ChemDiv1_003612 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 E05 compound treatment 0.259 0.0133 0.65 0.259 0.0239 1.23 1.3319 0.9566 1972087 ChemDiv1_003613 CC1CCC2C(C1)C(=O)N(CNc3ccc(Oc4ccc(Br)cc4)cc3)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 E06 compound treatment 0.267 0.0213 1.05 0.263 0.0279 1.43 1.7561 0.9882 1463008 ChemDiv1_003614 CCOc1ccc(cc1OC)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc(OC)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 E07 compound treatment 0.267 0.0213 1.05 0.279 0.0439 2.26 2.3385 0.9392 1494841 ChemDiv1_003615 COc1cc(cc(OC)c1OC)C2N(C(=O)Cc3ccccc3)c4ccccc4NC5=C2C(=O)CC(C)(C)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 E08 compound treatment 0.284 0.0383 1.89 0.287 0.0519 2.67 3.2218 0.9855 1504968 ChemDiv1_003616 COc1ccc(Cl)cc1C(=O)Nn2c(nc3ccccc3c2=O)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 E09 compound treatment 0.278 0.0323 1.59 0.278 0.0429 2.21 2.6852 0.9871 1446706 ChemDiv1_003617 COc1ccc(NC(=O)CSc2nc3ccccc3o2)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 E10 compound treatment 0.251 0.0053 0.26 0.253 0.0179 0.92 0.8348 0.8732 1386453 ChemDiv1_003618 COc1ccc(Br)c(c1)C(=O)Nn2c(nc3ccccc3c2=O)c4cc(OC)c(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 E11 compound treatment 0.282 0.0363 1.79 0.287 0.0519 2.67 3.1522 0.981 1612209 ChemDiv1_003619 Cc1ccc(o1)C2N(C(=O)Cc3ccc(Cl)cc3)c4ccccc4NC5=C2C(=O)CC(C)(C)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 E12 compound treatment 0.271 0.0253 1.25 0.26 0.0249 1.28 1.7862 0.9999 1618927 ChemDiv1_003620 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)c4c(F)cccc4F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 E13 compound treatment 0.25 0.0043 0.21 0.256 0.0209 1.07 0.9092 0.8304 1267036 ChemDiv1_003621 CCCOc1ccc(cc1OC)C2N(C(=O)CC)c3ccccc3NC4=C2C(=O)CC(C)(C)C4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 E14 compound treatment 0.283 0.0373 1.84 0.277 0.0419 2.16 2.823 0.9968 1207726 ChemDiv1_003622 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 E15 compound treatment 0.249 0.0033 0.16 0.253 0.0179 0.92 0.7652 0.8193 1255600 ChemDiv1_003623 COc1cc(ccc1OCc2ccccc2)C3N(C(=O)C)c4ccccc4NC5=C3C(=O)CC(C)(C)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 E16 compound treatment 0.259 0.0133 0.65 0.26 0.0249 1.28 1.3683 0.9516 1972088 ChemDiv1_003624 Cc1ccc(cc1)C2=NN(C(C2)c3ccc(Br)cc3)C(=O)CCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 E17 compound treatment 0.26 0.0143 0.7 0.255 0.0199 1.02 1.2211 0.9834 1972089 ChemDiv1_003625 CCCCCC(=O)N1C(C2=C(CC(CC2=O)c3ccco3)Nc4ccccc14)c5ccc(OC)c(OC)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 E18 compound treatment 0.287 0.0413 2.03 0.281 0.0459 2.36 3.1079 0.9972 1675096 ChemDiv1_003626 Cc1ccc(cc1)N2C(=O)CC(Sc3nc4ccccc4o3)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 E19 compound treatment 0.313 0.0673 3.31 0.305 0.0699 3.6 4.887 0.9992 1666247 ChemDiv1_003627 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc(Br)c(O)c(OC)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 E20 compound treatment 0.278 0.0323 1.59 0.272 0.0369 1.9 2.4668 0.9961 1463989 ChemDiv1_003628 COc1cc(cc(OC)c1OC)c2c(C#N)c(N)nc3sc(C(=O)N)c(N)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 E21 compound treatment 0.318 0.0723 3.56 0.31 0.0749 3.85 5.2432 0.9992 1183030 ChemDiv1_003629 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc(Cl)c(O)c(OC)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 E22 compound treatment 0.253 0.0073 0.36 0.254 0.0189 0.97 0.9409 0.9085 1972090 ChemDiv1_003630 COc1cc(/C=C\2/NC(=S)NC2=O)ccc1OCc3ccccc3[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 E23 mock treatment 0.251 0.0053 0.26 0.251 0.0159 0.82 0.762 0.8887 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 E24 mock treatment 0.238 -0.0077 -0.38 0.211 -0.0241 -1.24 -1.1468 -0.8828 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 F01 compound treatment 0.245 -7.04E-4 -0.03 0.247 0.0119 0.61 0.4075 0.6659 1641369 ChemDiv1_003631 CCOC(=O)c1sc2nc(N3CCOCC3)c4COC(C)(C)Cc4c2c1N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 F02 compound treatment 0.255 0.0093 0.46 0.255 0.0199 1.02 1.047 0.9343 1641270 ChemDiv1_003632 CCOc1c(Br)cc(C=c2sc3nc4ccccc4n3c2=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 F03 compound treatment 0.285 0.0393 1.94 0.28 0.0449 2.31 3.0018 0.9961 1972091 ChemDiv1_003633 COc1cc(OC)cc(c1)c2nc3ccccc3c(=O)n2NC(=O)c4ccc(OC)c(c4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 F04 compound treatment 0.308 0.0623 3.07 0.298 0.0629 3.24 4.4581 0.9996 1219588 ChemDiv1_003634 CC(C)(C)c1ccc(cc1)C(=O)On2c(nc3ccccc3c2=O)c4ccccc4F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 F05 compound treatment 0.282 0.0363 1.79 0.283 0.0479 2.46 3.0066 0.9876 1609774 ChemDiv1_003635 COc1cc(OC)cc(c1)c2nc3ccccc3c(=O)n2NC(=O)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 F06 compound treatment 0.279 0.0333 1.64 0.282 0.0469 2.41 2.8657 0.9823 1685670 ChemDiv1_003636 Clc1c(sc2ccccc12)C(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 F07 compound treatment 0.28 0.0343 1.69 0.286 0.0509 2.62 3.0461 0.9775 1948397 ChemDiv1_003637 CCC(=O)N1C(C2=C(CC(CC2=O)c3ccccc3)Nc4ccccc14)c5cccc(c5)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 F08 compound treatment 0.294 0.0483 2.38 0.302 0.0669 3.44 4.1161 0.9837 1622120 ChemDiv1_003638 CCOC(=O)C1=C(C)NC(=C(C#N)C1c2ccsc2)S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 F09 compound treatment 0.282 0.0363 1.79 0.281 0.0459 2.36 2.9337 0.9906 1972092 ChemDiv1_003639 COc1ccc(cc1COc2cc(C)c(Cl)cc2C(C)C)C3Nc4ccccc4C(=O)N3c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 F10 compound treatment 0.275 0.0293 1.44 0.279 0.0439 2.26 2.6172 0.9766 1972093 ChemDiv1_003640 COCCOC(=O)C1=C(N)OC2=C(C1c3cccnc3)C(=O)CC(C)(C)C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 F11 compound treatment 0.305 0.0593 2.92 0.3 0.0649 3.34 4.4264 0.9978 1623119 ChemDiv1_003641 COc1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccc5n(C)c6ccccc6c5c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 F12 compound treatment 0.26 0.0143 0.7 0.261 0.0259 1.33 1.4395 0.9556 1972094 ChemDiv1_003642 Cc1nn(c(Cl)c1C2C(=C(N)OC3=C2C(=O)CC(C)(C)C3)C#N)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 F13 compound treatment 0.28 0.0343 1.69 0.287 0.0519 2.67 3.0825 0.9756 1533547 ChemDiv1_003643 COc1ccc(cc1Cn2nnc3ccccc23)C4Nc5ccccc5C(=O)N4c6ccc(F)cc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 F14 compound treatment 0.274 0.0283 1.39 0.273 0.0379 1.95 2.3639 0.9865 1972095 ChemDiv1_003644 COCCOC(=O)C1=C(N)Oc2c(C1c3ccncc3)c(=O)oc4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 F15 compound treatment 0.304 0.0583 2.87 0.291 0.0559 2.88 4.064 1.0 1199095 ChemDiv1_003645 COc1ccc(cc1CSc2ccccn2)C3Nc4ccccc4C(=O)N3c5ccc(C)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 F16 compound treatment 0.276 0.0303 1.49 0.276 0.0409 2.1 2.5428 0.9858 1972096 ChemDiv1_003646 COc1ccc(cc1COc2ccccc2[N+](=O)[O-])C3C(=C(N)OC4=C3C(=O)CC(C)(C)C4)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 F17 compound treatment 0.286 0.0403 1.98 0.28 0.0449 2.31 3.0367 0.9971 1554799 ChemDiv1_003647 COc1ccc(cc1CN2C(=O)c3ccccc3C2=O)C4Nc5ccccc5C(=O)N4Cc6ccco6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 F18 compound treatment 0.277 0.0313 1.54 0.279 0.0439 2.26 2.6868 0.9827 1972097 ChemDiv1_003648 COc1ccc(cc1COc2ccc(Cl)cc2)C3C(=C(N)OC4=C3C(=O)CC(C)(C)C4)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 F19 compound treatment 0.257 0.0113 0.56 0.262 0.0269 1.38 1.3714 0.9199 1210982 ChemDiv1_003649 CCN(CC)CCN1C(Nc2ccccc2C1=O)c3cc(OC)c(OC)c(OC)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 F20 compound treatment 0.257 0.0113 0.56 0.259 0.0239 1.23 1.2622 0.9358 1619977 ChemDiv1_003650 NC1=C(C#N)C2(C(=O)Nc3ccc(Br)cc32)C4=C(CCCC4=O)O1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 F21 compound treatment 0.26 0.0143 0.7 0.258 0.0229 1.18 1.3303 0.9698 1503763 ChemDiv1_003651 CCOC(=O)C1=C(N)OC2=C(C1c3ccc(OC)c(OC)c3)C(=O)CC(C)(C)C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 F22 compound treatment 0.29 0.0443 2.18 0.294 0.0589 3.03 3.6856 0.987 1402798 ChemDiv1_003652 NS(=O)(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)c4ccccc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 F23 mock treatment 0.255 0.0093 0.46 0.258 0.0229 1.18 1.1562 0.9153 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 F24 mock treatment 0.252 0.0063 0.31 0.242 0.00687 0.35 0.4692 0.9979 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 G01 compound treatment 0.239 -0.0067 -0.33 0.221 -0.0141 -0.73 -0.748 -0.9361 1323011 ChemDiv1_003653 Clc1ccc(cc1Cl)n2c(CSc3ncnc4[nH]cnc34)nc5ccccc5c2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 G02 compound treatment 0.253 0.0073 0.36 0.251 0.0159 0.82 0.8317 0.932 1949436 ChemDiv1_003654 FC(F)(F)c1ccc(Cl)c(NC(=O)C2COc3ccccc3O2)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 G03 compound treatment 0.276 0.0303 1.49 0.271 0.0359 1.85 2.3608 0.9944 1972098 ChemDiv1_003655 CC(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)c4ccccc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 G04 compound treatment 0.276 0.0303 1.49 0.274 0.0389 2.0 2.47 0.9896 1269765 ChemDiv1_003656 COc1nccnc1NS(=O)(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 G05 compound treatment 0.324 0.0783 3.86 0.315 0.0799 4.11 5.6342 0.9995 1531225 ChemDiv1_003657 COc1ccc(cc1)c2cc(C(=O)Nc3ccccc3OC)c4ccccc4n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 G06 compound treatment 0.311 0.0653 3.22 0.314 0.0789 4.06 5.145 0.9933 1972099 ChemDiv1_003658 CCOc1ccc(cc1)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(OC)cc4)C(=O)OCCSCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 G07 compound treatment 0.274 0.0283 1.39 0.277 0.0419 2.16 2.5095 0.9777 1972100 ChemDiv1_003659 CCC(=O)N1C(C2=C(CC(C)(C)CC2=O)Nc3ccccc13)c4ccc(o4)c5ccc(cc5)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 G08 compound treatment 0.29 0.0443 2.18 0.298 0.0629 3.24 3.8312 0.9816 1588762 ChemDiv1_003660 COc1cccc(CC(=O)Nn2c(nc3ccccc3c2=O)c4ccc(Br)cc4)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 G09 compound treatment 0.25 0.0043 0.21 0.249 0.0139 0.71 0.6544 0.8789 1782662 ChemDiv1_003661 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3N(C2c4cccc(c4)[N+](=O)[O-])C(=O)Cc5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 G10 compound treatment 0.282 0.0363 1.79 0.28 0.0449 2.31 2.8973 0.992 1972101 ChemDiv1_003662 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)c4ccc(cc4Cl)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 G11 compound treatment 0.252 0.0063 0.31 0.256 0.0209 1.07 0.9789 0.8755 1972102 ChemDiv1_003663 COc1cc(cc(OC)c1OC)C2N(C(=O)C(F)(F)F)c3ccccc3NC4=C2C(=O)CC(C)(C)C4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 G12 compound treatment 0.267 0.0213 1.05 0.26 0.0249 1.28 1.6469 0.9951 1972103 ChemDiv1_003664 COc1ccc(cc1OC)C(=O)Nn2c(nc3ccccc3c2=O)c4cc(OC)c(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 G13 compound treatment 0.262 0.0163 0.8 0.264 0.0289 1.49 1.6184 0.9582 1972104 ChemDiv1_003665 CCCOc1ccc(cc1OC)C2N(C(=O)C(F)(F)F)c3ccccc3NC4=C2C(=O)CC(C)(C)C4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 G14 compound treatment 0.265 0.0193 0.95 0.267 0.0319 1.64 1.8321 0.9663 1698962 ChemDiv1_003666 COc1ccc(cc1OC)C(=O)Nn2c(nc3ccccc3c2=O)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 G15 compound treatment 0.267 0.0213 1.05 0.269 0.0339 1.74 1.9745 0.9704 1972105 ChemDiv1_003667 CC(C)Oc1ccc(cc1)C2N(C(=O)C(F)(F)F)c3ccccc3NC4=C2C(=O)CC(C)(C)C4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 G16 compound treatment 0.306 0.0603 2.97 0.308 0.0729 3.75 4.7525 0.9933 1289089 ChemDiv1_003668 COc1ccc(cc1)C2CC(=NN2S(=O)(=O)c3ccccc3)c4ccc(C)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 G17 compound treatment 0.26 0.0143 0.7 0.256 0.0209 1.07 1.2575 0.979 1972106 ChemDiv1_003669 COc1ccc(cc1OC)C2N(C(=O)C(F)(F)F)c3ccccc3NC4=C2C(=O)CC(C4)c5ccco5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 G18 compound treatment 0.306 0.0603 2.97 0.298 0.0629 3.24 4.3884 0.9991 1328822 ChemDiv1_003670 Cc1ccc(cc1)N2C(=O)CC(Sc3nc(C)cc(C)c3C#N)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 G19 compound treatment 0.254 0.0083 0.41 0.254 0.0189 0.97 0.9757 0.926 1947407 ChemDiv1_003671 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Cl)cc2)C(=O)Nc3ccccc3C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 G20 compound treatment 0.305 0.0593 2.92 0.301 0.0659 3.39 4.4628 0.9972 1332142 ChemDiv1_003672 COc1cc(cc(OC)c1OC)c2c(C#N)c(N)nc3sc(C(=O)c4ccccc4)c(N)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 G21 compound treatment 0.316 0.0703 3.46 0.317 0.0819 4.21 5.4284 0.9952 1947503 ChemDiv1_003673 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccc(Cl)c(c5)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 G22 compound treatment 0.255 0.0093 0.46 0.253 0.0179 0.92 0.9742 0.9481 1332974 ChemDiv1_003674 COC(=O)CSc1nc2sc3CCCCc3c2c(=O)n1c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 G23 mock treatment 0.251 0.0053 0.26 0.247 0.0119 0.61 0.6164 0.928 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 G24 mock treatment 0.247 0.0013 0.06 0.217 -0.0181 -0.93 -0.615 -0.6572 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 H01 compound treatment 0.258 0.0123 0.61 0.252 0.0169 0.87 1.0422 0.9845 1972107 ChemDiv1_003675 CCOC(=O)c1c(NC(=O)CN2C(=O)C3CC=C(Cl)CC3C2=O)sc4CCCCCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 H02 compound treatment 0.255 0.0093 0.46 0.252 0.0169 0.87 0.9377 0.9553 1138082 ChemDiv1_003676 COc1ccc(cc1)C(=O)Oc2ccc(C=c3sc4nc5ccccc5n4c3=O)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 H03 compound treatment 0.273 0.0273 1.34 0.267 0.0319 1.64 2.1107 0.9951 1597317 ChemDiv1_003677 COc1ccc(Br)c(c1)C(=O)Nn2c(nc3ccccc3c2=O)c4cc(OC)cc(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 H04 compound treatment 0.295 0.0493 2.43 0.303 0.0679 3.49 4.1874 0.9842 1972108 ChemDiv1_003678 Cc1ccccc1C(=O)On2c(nc3ccccc3c2=O)c4ccc(Cl)c(c4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 H05 compound treatment 0.267 0.0213 1.05 0.258 0.0229 1.18 1.5741 0.9983 1972109 ChemDiv1_003679 COc1ccc(/C=C(\C#N)/C(=O)Nn2c(nc3ccccc3c2=O)c4cc(OC)c(OC)c(OC)c4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 H06 compound treatment 0.293 0.0473 2.33 0.274 0.0389 2.0 3.062 0.9971 1275145 ChemDiv1_003680 COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)nc(OC)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 H07 compound treatment 0.272 0.0263 1.3 0.267 0.0319 1.64 2.0758 0.9932 1972110 ChemDiv1_003681 CSc1nnc(o1)c2ccc(NC(=S)N3CCCCC3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 H08 compound treatment 0.297 0.0513 2.53 0.294 0.0589 3.03 3.9294 0.9959 1294556 ChemDiv1_003682 CC1=C(C(C(=C(S)N1)C#N)c2cccnc2)C(=O)OCC=C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 H09 compound treatment 0.275 0.0293 1.44 0.282 0.0469 2.41 2.7264 0.9698 1631992 ChemDiv1_003683 COc1ccc(cc1CSc2nc3ccccc3s2)C4Nc5ccccc5C(=O)N4c6ccccc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 H10 compound treatment 0.25 0.0043 0.21 0.247 0.0119 0.61 0.5816 0.8996 1972111 ChemDiv1_003684 COCCOC(=O)C1=C(N)OC2=C(C1c3cccc(c3)[N+](=O)[O-])C(=O)CC(C)(C)C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 H11 compound treatment 0.252 0.0063 0.31 0.254 0.0189 0.97 0.9061 0.8887 1304978 ChemDiv1_003685 COc1ccc(cc1)N2C(Nc3ccccc3C2=O)c4cc(OC)c(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 H12 compound treatment 0.299 0.0533 2.62 0.289 0.0539 2.77 3.817 0.9996 1972112 ChemDiv1_003686 Cc1nn(c(Cl)c1C2C(=C(N)Oc3c2c(=O)oc4ccccc34)C#N)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 H13 compound treatment 0.28 0.0343 1.69 0.289 0.0539 2.77 3.1553 0.9717 1738017 ChemDiv1_003687 COc1ccc(cc1Cn2nnc3ccccc23)C4Nc5ccccc5C(=O)N4c6ccc(Cl)cc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 H14 compound treatment 0.267 0.0213 1.05 0.266 0.0309 1.59 1.8653 0.9797 1972113 ChemDiv1_003688 Cc1cc(c2c(N)c(sc2n1)C(=O)c3ccc(Cl)s3)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 H15 compound treatment 0.268 0.0223 1.1 0.27 0.0349 1.79 2.0457 0.9722 1506926 ChemDiv1_003689 COc1ccc(cc1CN2C(=O)c3ccccc3C2=O)C4Nc5ccccc5C(=O)N4c6ccc(C)cc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 H16 compound treatment 0.273 0.0273 1.34 0.266 0.0309 1.59 2.0743 0.9965 1972114 ChemDiv1_003690 COc1ccc(cc1COc2ccccc2[N+](=O)[O-])C3C(=C(N)Oc4n[nH]c(C)c34)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 H17 compound treatment 0.286 0.0403 1.98 0.29 0.0549 2.82 3.4007 0.9851 1741585 ChemDiv1_003691 COc1ccc(cc1COc2ccccc2F)C3Nc4ccccc4C(=O)N3c5cccc6ccccc56 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 H18 compound treatment 0.265 0.0193 0.95 0.261 0.0259 1.33 1.6136 0.9863 1972115 ChemDiv1_003692 COC(=O)C1=C(N)OC2=C(C1c3cccnc3)C(=O)CC(C)(C)C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 H19 compound treatment 0.26 0.0143 0.7 0.278 0.0429 2.21 2.0583 0.8886 1585328 ChemDiv1_003693 CCCN1C(Nc2ccccc2C1=O)c3ccc(OC)c(CSc4ccccn4)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 H20 compound treatment 0.296 0.0503 2.48 0.293 0.0579 2.98 3.8582 0.9958 1972116 ChemDiv1_003694 COc1ccc(NC(=O)CSc2nc(C)cc(c2C#N)C(F)(F)F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 H21 compound treatment 0.346 0.1 4.94 0.363 0.128 6.58 8.1477 0.99 1940201 ChemDiv1_003695 Oc1ccccc1C2CC(=NN2c3ccc(cc3)[N+](=O)[O-])c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 H22 compound treatment 0.254 0.0083 0.41 0.254 0.0189 0.97 0.9757 0.926 1783090 ChemDiv1_003696 OC(=O)CCc1nc2ccccc2[nH]c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 H23 mock treatment 0.257 0.0113 0.56 0.252 0.0169 0.87 1.0074 0.9769 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 H24 mock treatment 0.246 2.96E-4 0.01 0.236 8.67E-4 0.04 0.0419 0.8919 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 I01 compound treatment 0.267 0.0213 1.05 0.244 0.00887 0.46 1.0645 0.9305 1972117 ChemDiv1_003697 O=C1c2ccccc2C(=O)c3cc(ccc13)S(=O)(=O)Nc4cccc5cccnc45 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 I02 compound treatment 0.27 0.0243 1.2 0.264 0.0289 1.49 1.897 0.9942 1942266 ChemDiv1_003698 FC(F)(F)c1ccc(Cl)c(NC(=O)CCN2C(=O)c3ccccc3C2=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 I03 compound treatment 0.255 0.0093 0.46 0.256 0.0209 1.07 1.0834 0.9277 1398617 ChemDiv1_003699 Brc1ccc(cc1)c2cc(C(=O)N3CCOCC3)c4ccccc4n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 I04 compound treatment 0.258 0.0123 0.61 0.253 0.0179 0.92 1.0786 0.9794 1117622 ChemDiv1_003700 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 I05 compound treatment 0.257 0.0113 0.56 0.257 0.0219 1.13 1.1894 0.9472 1735688 ChemDiv1_003701 CN(C)c1ccc(cc1)C2N(C(=O)c3ccccc3)c4ccccc4NC5=C2C(=O)CC(C)(C)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 I06 compound treatment 0.298 0.0523 2.58 0.293 0.0579 2.98 3.9278 0.9974 1972118 ChemDiv1_003702 CCSCCOC(=O)C1=C(C)NC2=C(C1c3ccc(OC)c(OC)c3)C(=O)CC(C2)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 I07 compound treatment 0.26 0.0143 0.7 0.257 0.0219 1.13 1.2939 0.9745 1686952 ChemDiv1_003703 COc1cc(cc(OC)c1OC)C2N(C(=O)C(C)C)c3ccccc3NC4=C2C(=O)CC(C)(C)C4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 I08 compound treatment 0.278 0.0323 1.59 0.287 0.0519 2.67 3.0129 0.9694 1149956 ChemDiv1_003704 COc1cc(OC)cc(c1)C(=O)Nn2c(nc3ccccc3c2=O)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 I09 compound treatment 0.253 0.0073 0.36 0.258 0.0229 1.18 1.0865 0.8827 1947742 ChemDiv1_003705 CN(C)/C=C\1/C(=O)N(N=C1C(F)(F)F)c2nc3ccccc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 I10 compound treatment 0.259 0.0133 0.65 0.257 0.0219 1.13 1.2591 0.9668 1972119 ChemDiv1_003706 COc1ccc(C(=O)Nn2c(nc3ccccc3c2=O)c4cc(OC)c(OC)c(OC)c4)c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 I11 compound treatment 0.251 0.0053 0.26 0.246 0.0109 0.56 0.58 0.9397 1488499 ChemDiv1_003707 CN(C)c1ccc(cc1)C2N(C(=O)c3ccc(F)cc3)c4ccccc4NC5=C2C(=O)CC(C)(C)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 I12 compound treatment 0.286 0.0403 1.98 0.27 0.0349 1.79 2.6726 0.9987 1712333 ChemDiv1_003708 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)c4cc(Br)ccc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 I13 compound treatment 0.262 0.0163 0.8 0.262 0.0269 1.38 1.5456 0.9665 1152977 ChemDiv1_003709 COc1ccc(OC)c(c1)C2N(C(=O)c3ccccc3)c4ccccc4NC5=C2C(=O)CC(C)(C)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 I14 compound treatment 0.277 0.0313 1.54 0.273 0.0379 1.95 2.4684 0.9932 1166729 ChemDiv1_003710 COc1ccc(Br)c(c1)C(=O)Nn2c(nc3ccccc3c2=O)c4cccc(Cl)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 I15 compound treatment 0.255 0.0093 0.46 0.252 0.0169 0.87 0.9377 0.9553 1640599 ChemDiv1_003711 CC(=O)Oc1cccc(c1)C2N(C(=O)c3ccccc3)c4ccccc4NC5=C2C(=O)CC(C)(C)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 I16 compound treatment 0.311 0.0653 3.22 0.296 0.0609 3.13 4.4898 0.9999 1972120 ChemDiv1_003712 COc1ccccc1C2CC(=NN2S(=O)(=O)c3ccccc3)c4ccc(C)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 I17 compound treatment 0.273 0.0273 1.34 0.271 0.0359 1.85 2.2563 0.9878 1425826 ChemDiv1_003713 CCN(CC)c1ccc(cc1)C2N(C(=O)C)c3ccccc3NC4=C2C(=O)CC(C4)c5ccc(OC)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 I18 compound treatment 0.275 0.0293 1.44 0.276 0.0409 2.1 2.5079 0.9831 1218259 ChemDiv1_003714 Cc1ccc(cc1)N2C(=O)CC(Sc3nc(ccc3C#N)C4CC4)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 I19 compound treatment 0.316 0.0703 3.46 0.309 0.0739 3.8 5.1371 0.9989 1972121 ChemDiv1_003715 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc(ccc5Cl)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 I20 compound treatment 0.268 0.0223 1.1 0.27 0.0349 1.79 2.0457 0.9722 1338023 ChemDiv1_003716 COc1cc(cc(OC)c1OC)c2c(C#N)c(N)nc3sc(C(=O)c4ccc(Cl)cc4)c(N)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 I21 compound treatment 0.251 0.0053 0.26 0.254 0.0189 0.97 0.8712 0.8663 1948370 ChemDiv1_003717 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(C)cc2)C(=O)Nc3ccccc3C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 I22 compound treatment 0.26 0.0143 0.7 0.26 0.0249 1.28 1.4031 0.9604 1259634 ChemDiv1_003718 COC(=O)CCSc1nc2sc3CCCc3c2c(=O)n1c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 I23 mock treatment 0.254 0.0083 0.41 0.254 0.0189 0.97 0.9757 0.926 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 I24 mock treatment 0.25 0.0043 0.21 0.228 -0.00713 -0.37 -0.11 -0.2596 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 J01 compound treatment 0.268 0.0223 1.1 0.254 0.0189 0.97 1.4633 0.9981 1530128 ChemDiv1_003719 CCN(CC)c1ccc(cc1)C(=O)Nn2c(nc3ccccc3c2=O)c4cc(OC)cc(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 J02 compound treatment 0.245 -7.04E-4 -0.03 0.245 0.00987 0.51 0.3347 0.6573 1972122 ChemDiv1_003720 Cc1cc(C)cc(c1)N2C(c3cccc(c3)[N+](=O)[O-])S(=O)(=O)CC2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 J03 compound treatment 0.258 0.0123 0.61 0.256 0.0209 1.07 1.1878 0.9632 1972123 ChemDiv1_003721 COc1cc(OC)cc(c1)c2nc3ccccc3c(=O)n2NC(=O)c4cc(OC)c(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 J04 compound treatment 0.336 0.0903 4.45 0.32 0.0849 4.37 6.2341 1.0 1506469 ChemDiv1_003722 Cc1cccc(c1)c2nc3ccccc3c(=O)n2OC(=O)c4cccc(Cl)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 J05 compound treatment 0.248 0.0023 0.11 0.256 0.0209 1.07 0.8396 0.7773 1291803 ChemDiv1_003723 CC(CN1CCN(Cc2ccccc2)CC1)N(C(=O)c3ccoc3)c4ccccn4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 J06 compound treatment 0.275 0.0293 1.44 0.261 0.0259 1.33 1.9619 0.9992 1528862 ChemDiv1_003724 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 J07 compound treatment 0.259 0.0133 0.65 0.258 0.0229 1.18 1.2955 0.9617 1654231 ChemDiv1_003725 CCOC(=O)c1c(C)c(sc1NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N)C(=O)N(CC)CC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 J08 compound treatment 0.286 0.0403 1.98 0.293 0.0579 2.98 3.5099 0.9805 1348892 ChemDiv1_003726 NC1=C(C#N)C(c2cccc(OCc3ccccc3)c2)c4c(O1)c5ccccc5oc4=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 J09 compound treatment 0.285 0.0393 1.94 0.288 0.0529 2.72 3.293 0.986 1117948 ChemDiv1_003727 CCOC(=O)c1ccccc1OCc2cc(ccc2OC)C3Nc4ccccc4C(=O)N3c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 J10 compound treatment 0.259 0.0133 0.65 0.257 0.0219 1.13 1.2591 0.9668 1972124 ChemDiv1_003728 COCCOC(=O)C1=C(N)OC2=C(C1c3ccccc3[N+](=O)[O-])C(=O)CC(C)(C)C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 J11 compound treatment 0.271 0.0253 1.25 0.285 0.0499 2.57 2.6963 0.9449 1583931 ChemDiv1_003729 COc1ccc(cc1COc2ccc(Cl)cc2)C3Nc4ccccc4C(=O)N3c5ccc(F)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 J12 compound treatment 0.257 0.0113 0.56 0.256 0.0209 1.07 1.153 0.9531 1180588 ChemDiv1_003730 COc1cc(ccc1OCC(=O)N)C2C(=C(N)OC3=C2C(=O)CC(C)(C)C3)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 J13 compound treatment 0.273 0.0273 1.34 0.267 0.0319 1.64 2.1107 0.9951 1419738 ChemDiv1_003731 COc1ccc(cc1COc2ccc(NC(=O)C)cc2)C3Nc4ccccc4C(=O)N3c5ccc(Cl)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 J14 compound treatment 0.278 0.0323 1.59 0.274 0.0389 2.0 2.5396 0.9935 1972125 ChemDiv1_003732 COc1ccc(/C=C/2\CN(C)CC3=C2OC(=C(C#N)C3c4ccc(OC)c(OC)c4)N)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 J15 compound treatment 0.291 0.0453 2.23 0.287 0.0519 2.67 3.4656 0.996 1189649 ChemDiv1_003733 COc1ccc(cc1CSc2ccccn2)C3Nc4ccccc4C(=O)N3Cc5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 J16 compound treatment 0.271 0.0253 1.25 0.269 0.0339 1.74 2.1138 0.9864 1296335 ChemDiv1_003734 COc1ccc(cc1COc2cccc(Cl)c2)C3C(=C(N)Oc4n[nH]c(C)c34)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 J17 compound treatment 0.269 0.0233 1.15 0.285 0.0499 2.57 2.6266 0.9341 1972126 ChemDiv1_003735 COc1ccc(cc1COc2ccc(Cl)cc2)C3Nc4ccccc4C(=O)N3c5cccc6ccccc56 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 J18 compound treatment 0.255 0.0093 0.46 0.255 0.0199 1.02 1.047 0.9343 1257070 ChemDiv1_003736 CCN(CC)C(=O)COc1ccc(cc1OC)C2C(=C(N)Oc3n[nH]c(COC)c23)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 J19 compound treatment 0.289 0.0433 2.13 0.291 0.0559 2.88 3.5416 0.9892 1932003 ChemDiv1_003737 CCCN1C(Nc2ccccc2C1=O)c3ccc(OC)c(COc4ccc([N+](=O)[O-])c(C)c4)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 J20 compound treatment 0.258 0.0123 0.61 0.257 0.0219 1.13 1.2242 0.9577 1972127 ChemDiv1_003738 CCOC(=O)C1=C(CCl)OC(=C(C#N)C1c2cccc(OCc3ccccc3)c2)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 J21 compound treatment 0.252 0.0063 0.31 0.252 0.0169 0.87 0.8333 0.9037 1454491 ChemDiv1_003739 Cn1c(nc2ccccc12)n3c(CN4C(=O)c5ccccc5C4=O)nc6ccccc6c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 J22 compound treatment 0.249 0.0033 0.16 0.251 0.0159 0.82 0.6924 0.8314 1329005 ChemDiv1_003740 CS(=O)(=O)Cc1nc2ccccc2[nH]c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 J23 mock treatment 0.25 0.0043 0.21 0.248 0.0129 0.66 0.618 0.8887 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 J24 mock treatment 0.244 -0.0017 -0.08 0.213 -0.0221 -1.14 -0.865 -0.7571 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 K01 compound treatment 0.251 0.0053 0.26 0.235 -1.33E-4 -0.01 0.1796 0.6883 1972128 ChemDiv1_003741 O=C1c2ccccc2C(=O)c3cc(ccc13)S(=O)(=O)Nc4nc5ccccc5s4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 K02 compound treatment 0.25 0.0043 0.21 0.253 0.0179 0.92 0.8 0.8476 1513122 ChemDiv1_003742 CC1CCc2c(C(=O)N)c(NC(=O)CCN3C(=O)c4ccccc4C3=O)sc2C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 K03 compound treatment 0.278 0.0323 1.59 0.27 0.0349 1.79 2.394 0.9982 1972129 ChemDiv1_003743 COc1ccc(cc1)c2cc(C(=O)Nc3cccc(c3)C(=O)C)c4ccccc4n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 K04 compound treatment 0.274 0.0283 1.39 0.269 0.0339 1.74 2.2183 0.9938 1551904 ChemDiv1_003744 CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 K05 compound treatment 0.264 0.0183 0.9 0.253 0.0179 0.92 1.2876 0.9999 1479033 ChemDiv1_003745 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3N(C2c4ccc5OCOc5c4)C(=O)c6ccccc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 K06 compound treatment 0.292 0.0463 2.28 0.296 0.0609 3.13 3.8281 0.9878 1972130 ChemDiv1_003746 CCSCCOC(=O)C1=C(C)NC2=C(C1c3cc(Cl)c(O)c(OC)c3)C(=O)CC(C2)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 K07 compound treatment 0.272 0.0263 1.3 0.269 0.0339 1.74 2.1486 0.9893 1213027 ChemDiv1_003747 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3N(C2c4cccs4)C(=O)Cc5ccc(Cl)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 K08 compound treatment 0.261 0.0153 0.75 0.267 0.0319 1.64 1.6927 0.9377 1389135 ChemDiv1_003748 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)c4ccc(F)cc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 K09 compound treatment 0.258 0.0123 0.61 0.258 0.0229 1.18 1.2606 0.9523 1972131 ChemDiv1_003749 CN(C)/C=C\1/C(=O)N(N=C1c2ccccc2)c3nc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 K10 compound treatment 0.285 0.0393 1.94 0.28 0.0449 2.31 3.0018 0.9961 1552821 ChemDiv1_003750 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)c4cccc(Cl)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 K11 compound treatment 0.249 0.0033 0.16 0.25 0.0149 0.77 0.656 0.8384 1972132 ChemDiv1_003751 CCCCCC(=O)N1C(C2=C(CC(C)(C)CC2=O)Nc3ccccc13)c4cccc(OC)c4OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 K12 compound treatment 0.266 0.0203 1.0 0.253 0.0179 0.92 1.3572 0.9991 1496326 ChemDiv1_003752 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 K13 compound treatment 0.257 0.0113 0.56 0.244 0.00887 0.46 0.7162 0.9952 1972133 ChemDiv1_003753 CCCCCC(=O)N1C(C2=C(CC(C)(C)CC2=O)Nc3ccccc13)c4cc(OC)ccc4OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 K14 compound treatment 0.256 0.0103 0.51 0.263 0.0279 1.43 1.373 0.9023 1972134 ChemDiv1_003754 [O-][N+](=O)c1cc(ccc1Cl)C(=O)Nn2c(nc3ccccc3c2=O)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 K15 compound treatment 0.255 0.0093 0.46 0.26 0.0249 1.28 1.229 0.9039 1373102 ChemDiv1_003755 COc1ccc(cc1COc2ccc(F)cc2)C3N(C(=O)C)c4ccccc4NC5=C3C(=O)CC(C)(C)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 K16 compound treatment 0.267 0.0213 1.05 0.267 0.0319 1.64 1.9017 0.9766 1352004 ChemDiv1_003756 COc1ccc(cc1OC)C2CC(=NN2C(=O)CCC(=O)O)c3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 K17 compound treatment 0.284 0.0383 1.89 0.285 0.0499 2.57 3.149 0.9885 1719199 ChemDiv1_003757 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4N(C3c5ccc(OC)c(OC)c5)C(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 K18 compound treatment 0.269 0.0233 1.15 0.267 0.0319 1.64 1.9714 0.9847 1412842 ChemDiv1_003758 COc1cc(cc(OC)c1OC)c2cc(nc3sc(C(=O)O)c(N)c23)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 K19 compound treatment 0.251 0.0053 0.26 0.255 0.0199 1.02 0.9076 0.8599 1947628 ChemDiv1_003759 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Cl)c(c2)[N+](=O)[O-])C(=O)Nc3ccccc3C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 K20 compound treatment 0.263 0.0173 0.85 0.259 0.0239 1.23 1.4712 0.984 1972135 ChemDiv1_003760 Cc1ccc(cc1)N2C(=O)CC(Sc3nc(C)c(C)c(C)c3C#N)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 K21 compound treatment 0.254 0.0083 0.41 0.256 0.0209 1.07 1.0485 0.9123 1947607 ChemDiv1_003761 CCOC(=O)c1c(C)c(sc1NC(=O)c2cccc(Cl)c2)C(=O)Nc3ccccc3C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 K22 compound treatment 0.311 0.0653 3.22 0.314 0.0789 4.06 5.145 0.9933 1559240 ChemDiv1_003762 CC1(C)Cc2c(CS1)c(nc3sc(C(=O)c4ccccc4)c(N)c23)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 K23 mock treatment 0.252 0.0063 0.31 0.251 0.0159 0.82 0.7969 0.912 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 K24 mock treatment 0.251 0.0053 0.26 0.222 -0.0131 -0.68 -0.2936 -0.4052 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 L01 compound treatment 0.289 0.0433 2.13 0.277 0.0419 2.16 3.0319 1.0 1972136 ChemDiv1_003763 COc1ccc(cc1OC)c2nc3ccccc3c(=O)n2NC(=O)/C=C/c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 L02 compound treatment 0.27 0.0243 1.2 0.27 0.0349 1.79 2.1154 0.9806 1169379 ChemDiv1_003764 CCc1ccc(cc1)C(=O)On2c(nc3ccccc3c2=O)c4ccccc4F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 L03 compound treatment 0.269 0.0233 1.15 0.27 0.0349 1.79 2.0806 0.9766 1166341 ChemDiv1_003765 COc1cc(OC)cc(c1)c2nc3ccccc3c(=O)n2NC(=O)c4ccc(OC)c(Br)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 L04 compound treatment 0.301 0.0553 2.72 0.304 0.0689 3.55 4.4327 0.9915 1470873 ChemDiv1_003766 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2OC(=O)c4ccccc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 L05 compound treatment 0.272 0.0263 1.3 0.27 0.0349 1.79 2.1851 0.9872 1278030 ChemDiv1_003767 COc1ccc(cc1OC)C2N(C(=O)C(C)C)c3ccccc3NC4=C2C(=O)CC(C4)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 L06 compound treatment 0.287 0.0413 2.03 0.286 0.0509 2.62 3.2899 0.9922 1512237 ChemDiv1_003768 Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 L07 compound treatment 0.309 0.0633 3.12 0.306 0.0709 3.65 4.7841 0.9969 1657300 ChemDiv1_003769 CCOC(=O)c1c(NC(=O)CSc2nc3ccccc3o2)scc1c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 L08 compound treatment 0.249 0.0033 0.16 0.251 0.0159 0.82 0.6924 0.8314 1972137 ChemDiv1_003770 COC(=O)C1=C(N)OC2=C(C1c3ccc(Br)cc3)C(=O)CCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 L09 compound treatment 0.271 0.0253 1.25 0.274 0.0389 2.0 2.2958 0.974 1326813 ChemDiv1_003771 COc1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccc(OC)c(CSc5nc6ccccc6s5)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 L10 compound treatment 0.264 0.0183 0.9 0.263 0.0279 1.43 1.6516 0.9749 1972138 ChemDiv1_003772 COCCOC(=O)C1=C(N)OC2=C(C1c3ccc(Br)cc3)C(=O)CC(C)(C)C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 L11 compound treatment 0.269 0.0233 1.15 0.266 0.0309 1.59 1.935 0.9872 1972139 ChemDiv1_003773 COc1ccc(cc1Cn2nc(C)c([N+](=O)[O-])c2C)C3Nc4ccccc4C(=O)N3c5ccc(F)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 L12 compound treatment 0.273 0.0273 1.34 0.281 0.0459 2.36 2.6203 0.9644 1972140 ChemDiv1_003774 NC1=C(C#N)C(c2ccc(F)cc2Br)c3c(O1)c4ccccc4oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 L13 compound treatment 0.293 0.0473 2.33 0.287 0.0519 2.67 3.5353 0.9977 1637737 ChemDiv1_003775 COc1ccc(cc1CSc2ccccn2)C3Nc4ccccc4C(=O)N3c5ccc(Cl)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 L14 compound treatment 0.278 0.0323 1.59 0.272 0.0369 1.9 2.4668 0.9961 1224452 ChemDiv1_003776 CC1=C(C(C(=C(S)N1)C#N)c2ccsc2)C(=O)OCC=C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 L15 compound treatment 0.283 0.0373 1.84 0.283 0.0479 2.46 3.0414 0.9895 1972141 ChemDiv1_003777 COc1ccc(cc1COc2ccc([N+](=O)[O-])c(C)c2)C3Nc4ccccc4C(=O)N3Cc5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 L16 compound treatment 0.266 0.0203 1.0 0.259 0.0239 1.23 1.5757 0.9948 1972142 ChemDiv1_003778 COc1ccc(cc1Cn2nc([N+](=O)[O-])c(Br)c2C)C3C(=C(N)OC4=C3C(=O)CC(C)(C)C4)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 L17 compound treatment 0.288 0.0423 2.08 0.285 0.0499 2.57 3.2883 0.9946 1972143 ChemDiv1_003779 COc1ccc(cc1CN2C(=O)c3ccccc3C2=O)C4Nc5ccccc5C(=O)N4c6cccc7ccccc67 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 L18 compound treatment 0.259 0.0133 0.65 0.269 0.0339 1.74 1.6959 0.9106 1633285 ChemDiv1_003780 CCN(CC)C(=O)COc1ccc(cc1OC)C2C(=C(N)Oc3c2c(=O)oc4ccccc34)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 L19 compound treatment 0.258 0.0123 0.61 0.26 0.0249 1.28 1.3335 0.9416 1972144 ChemDiv1_003781 CCN(CC)C(=O)CN1C(=O)C2CCC(=O)CC2C1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 L20 compound treatment 0.25 0.0043 0.21 0.25 0.0149 0.77 0.6908 0.87 1972145 ChemDiv1_003782 COCCOC(=O)C1=C(N)OC2=C(C1c3ccc(Cl)cc3)C(=O)CCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 L21 compound treatment 0.26 0.0143 0.7 0.26 0.0249 1.28 1.4031 0.9604 1402136 ChemDiv1_003783 COc1ccccc1n2c(CCN3C(=O)c4ccccc4C3=O)nc5ccccc5c2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 L22 compound treatment 0.313 0.0673 3.31 0.293 0.0579 2.98 4.4502 0.9986 1315025 ChemDiv1_003784 Oc1ccc(cc1)C2Nc3ccc4ccccc4c3C5C=CCC52 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 L23 mock treatment 0.252 0.0063 0.31 0.255 0.0199 1.02 0.9425 0.8819 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 L24 mock treatment 0.241 -0.0047 -0.23 0.239 0.00387 0.2 -0.0231 -0.0755 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 M01 compound treatment 0.246 2.96E-4 0.01 0.224 -0.0111 -0.57 -0.395 -0.6889 1949666 ChemDiv1_003785 CCOc1cc([N+](=O)[O-])c2NC(C3CC=CC3c2c1)c4ccccc4Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 M02 compound treatment 0.255 0.0093 0.46 0.258 0.0229 1.18 1.1562 0.9153 1972146 ChemDiv1_003786 CCC(C)OC(=O)CSc1nc2ccccc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 M03 compound treatment 0.256 0.0103 0.51 0.252 0.0169 0.87 0.9726 0.9672 1251151 ChemDiv1_003787 COc1ccc(cc1)c2cc(C(=O)N3CCOCC3)c4ccccc4n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 M04 compound treatment 0.255 0.0093 0.46 0.256 0.0209 1.07 1.0834 0.9277 1947665 ChemDiv1_003788 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(C)c(c2)[N+](=O)[O-])C(=O)Nc3ccccc3C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 M05 compound treatment 0.27 0.0243 1.2 0.262 0.0269 1.38 1.8242 0.9974 1152342 ChemDiv1_003789 Clc1ccc2[nH]c(=O)c(Sc3nc4ccccc4o3)c(c5ccccc5)c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 M06 compound treatment 0.278 0.0323 1.59 0.275 0.0399 2.05 2.576 0.9921 1972147 ChemDiv1_003790 CCSCCOC(=O)C1=C(C)NC2=C(C1c3ccc(OC)cc3)C(=O)CC(C2)c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 M07 compound treatment 0.255 0.0093 0.46 0.253 0.0179 0.92 0.9742 0.9481 1621548 ChemDiv1_003791 CCC(=O)N1C(C2=C(CC(C)(C)CC2=O)Nc3ccccc13)c4cc(OC)c(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 M08 compound treatment 0.253 0.0073 0.36 0.253 0.0179 0.92 0.9045 0.9159 1440054 ChemDiv1_003792 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)Cc4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 M09 compound treatment 0.313 0.0673 3.31 0.311 0.0759 3.91 5.1055 0.9967 1942532 ChemDiv1_003793 CN(C)/C=C/1\C(=O)N(N=C1c2ccccc2)c3ccc(cc3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 M10 compound treatment 0.272 0.0263 1.3 0.268 0.0329 1.69 2.1122 0.9913 1972148 ChemDiv1_003794 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)c4ccc([N+](=O)[O-])c(C)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 M11 compound treatment 0.242 -0.0037 -0.18 0.243 0.00787 0.4 0.1574 0.3543 1972149 ChemDiv1_003795 COc1cccc(C2N(C(=O)C(F)(F)F)c3ccccc3NC4=C2C(=O)CC(C)(C)C4)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 M12 compound treatment 0.278 0.0323 1.59 0.278 0.0429 2.21 2.6852 0.9871 1972150 ChemDiv1_003796 COc1cccc(c1)c2nc3ccccc3c(=O)n2NC(=O)/C=C/c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 M13 compound treatment 0.253 0.0073 0.36 0.249 0.0139 0.71 0.7589 0.9495 1972151 ChemDiv1_003797 COc1ccc(OC)c(c1)C2N(C(=O)C(F)(F)F)c3ccccc3NC4=C2C(=O)CC(C)(C)C4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 M14 compound treatment 0.307 0.0613 3.02 0.302 0.0669 3.44 4.5689 0.9979 1305534 ChemDiv1_003798 CCOc1cc(cc(Br)c1O)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc(OC)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 M15 compound treatment 0.26 0.0143 0.7 0.261 0.0259 1.33 1.4395 0.9556 1972152 ChemDiv1_003799 CC(=O)N1C(C2=C(CC(C)(C)CC2=O)Nc3ccccc13)c4ccc(o4)c5ccc(cc5C)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 M16 compound treatment 0.278 0.0323 1.59 0.277 0.0419 2.16 2.6488 0.9888 1214079 ChemDiv1_003800 OCCNc1nc(c2ccccc2)c3cc(Br)ccc3n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 M17 compound treatment 0.272 0.0263 1.3 0.274 0.0389 2.0 2.3307 0.9778 1972153 ChemDiv1_003801 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4N(C3c5ccc(OC)c(OC)c5)C(=O)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 M18 compound treatment 0.281 0.0353 1.74 0.297 0.0619 3.18 3.4814 0.9594 1972154 ChemDiv1_003802 COc1cc(cc(OC)c1OC)c2cc(nc(SCC(=O)O)c2C#N)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 M19 compound treatment 0.312 0.0663 3.27 0.298 0.0629 3.24 4.5974 1.0 1947347 ChemDiv1_003803 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccc(OC)c(Br)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 M20 compound treatment 0.263 0.0173 0.85 0.263 0.0279 1.43 1.6168 0.969 1972155 ChemDiv1_003804 Cc1ccc(cc1)N2C(=O)CC(Sc3nc(C)cc(c3C#N)C(F)(F)F)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 M21 compound treatment 0.257 0.0113 0.56 0.254 0.0189 0.97 1.0802 0.965 1244208 ChemDiv1_003805 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccc(OC(=O)C)c(OC)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 M22 compound treatment 0.255 0.0093 0.46 0.255 0.0199 1.02 1.047 0.9343 1972156 ChemDiv1_003806 CC1(C)Cc2c(CO1)sc3nc(SCC(=O)O)n(c4ccccc4)c(=O)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 M23 mock treatment 0.249 0.0033 0.16 0.251 0.0159 0.82 0.6924 0.8314 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 M24 mock treatment 0.23 -0.0157 -0.77 0.219 -0.0161 -0.83 -1.1342 -0.9994 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 N01 compound treatment 0.232 -0.0137 -0.67 0.218 -0.0171 -0.88 -1.101 -0.9913 1972157 ChemDiv1_003807 COc1cc(OC)cc(c1)c2nc3ccccc3c(=O)n2NC(=O)/C=C/c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 N02 compound treatment 0.268 0.0223 1.1 0.275 0.0399 2.05 2.2278 0.9571 1565660 ChemDiv1_003808 Cc1ccccc1C(=O)On2c(nc3ccccc3c2=O)c4ccccc4F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 N03 compound treatment 0.244 -0.0017 -0.08 0.243 0.00787 0.4 0.227 0.5489 1471743 ChemDiv1_003809 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)c4cc(C)c(C)cc4C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 N04 compound treatment 0.251 0.0053 0.26 0.249 0.0139 0.71 0.6892 0.9068 1442690 ChemDiv1_003810 COc1ccc(cc1Br)C(=O)On2c(nc3ccccc3c2=O)c4ccc(cc4)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 N05 compound treatment 0.274 0.0283 1.39 0.271 0.0359 1.85 2.2911 0.9904 1950708 ChemDiv1_003811 CCC(=O)N1C(C2=C(CC(CC2=O)c3ccccc3)Nc4ccccc14)c5ccc(cc5)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 N06 compound treatment 0.264 0.0183 0.9 0.255 0.0199 1.02 1.3604 0.998 1972158 ChemDiv1_003812 Fc1ccc(N(CCCCN2C(=O)c3ccccc3C2=O)C(=O)c4sc5ccccc5c4Cl)c(F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 N07 compound treatment 0.26 0.0143 0.7 0.265 0.0299 1.54 1.5851 0.9373 1308177 ChemDiv1_003813 CCOC(=O)c1cnn(c1NC(=O)CSc2nc3ccc(OCC)cc3s2)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 N08 compound treatment 0.257 0.0113 0.56 0.251 0.0159 0.82 0.971 0.9825 1972159 ChemDiv1_003814 COC(=O)C1=C(N)OC2=C(C1c3cccs3)C(=O)CCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 N09 compound treatment 0.268 0.0223 1.1 0.275 0.0399 2.05 2.2278 0.9571 1206117 ChemDiv1_003815 COc1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccc(OC)c(COc5ccc(NC(=O)C)cc5)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 N10 compound treatment 0.281 0.0353 1.74 0.278 0.0429 2.21 2.7897 0.993 1716002 ChemDiv1_003816 NC1=C(C#N)C(c2cccc(Br)c2)c3c(O1)c4ccccc4oc3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 N11 compound treatment 0.279 0.0333 1.64 0.276 0.0409 2.1 2.6473 0.9924 1670964 ChemDiv1_003817 COc1ccc(cc1CSc2ccccn2)C3Nc4ccccc4C(=O)N3c5ccc(F)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 N12 compound treatment 0.283 0.0373 1.84 0.275 0.0399 2.05 2.7502 0.9985 1161866 ChemDiv1_003818 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C2c3ccccc3OCc4ccccc4Cl)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 N13 compound treatment 0.258 0.0123 0.61 0.253 0.0179 0.92 1.0786 0.9794 1202218 ChemDiv1_003819 COc1ccc(cc1COc2ccccn2)C3Nc4ccccc4C(=O)N3c5ccc(Cl)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 N14 compound treatment 0.267 0.0213 1.05 0.267 0.0319 1.64 1.9017 0.9766 1367931 ChemDiv1_003820 Cc1cc2OC(=C(C#N)C(c3ccccc3OCc4ccccc4Cl)c2c(=O)o1)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 N15 compound treatment 0.263 0.0173 0.85 0.263 0.0279 1.43 1.6168 0.969 1342184 ChemDiv1_003821 COc1ccc(cc1CN2C(=O)c3ccccc3C2=O)C4Nc5ccccc5C(=O)N4Cc6ccccc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 N16 compound treatment 0.266 0.0203 1.0 0.263 0.0279 1.43 1.7213 0.9844 1972160 ChemDiv1_003822 COc1ccc(cc1COc2ccccc2C)C3C(=C(N)OC4=C3C(=O)CC(C)(C)C4)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 N17 compound treatment 0.282 0.0363 1.79 0.284 0.0489 2.52 3.043 0.986 1972161 ChemDiv1_003823 CCOC(=O)c1ccccc1OCc2cc(ccc2OC)C3Nc4ccccc4C(=O)N3c5cccc6ccccc56 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 N18 compound treatment 0.274 0.0283 1.39 0.285 0.0499 2.57 2.8007 0.9588 1972162 ChemDiv1_003824 COc1ccc(Br)cc1C2C(=C(N)Oc3c2c(C)nn3c4ccccc4)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 N19 compound treatment 0.251 0.0053 0.26 0.252 0.0169 0.87 0.7984 0.8807 1972163 ChemDiv1_003825 O=C1C2CCC3(CC2C(=O)N1Cc4ccccc4)OCCO3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 N20 compound treatment 0.257 0.0113 0.56 0.261 0.0259 1.33 1.335 0.925 1282289 ChemDiv1_003826 CCCOc1ccc(cc1OC)C2C(=C(N)Oc3c2c(=O)oc4ccccc34)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 N21 compound treatment 0.275 0.0293 1.44 0.267 0.0319 1.64 2.1803 0.998 1724806 ChemDiv1_003827 O=C1N(CCCc2nc3ccccc3c(=O)n2Cc4ccccc4)C(=O)c5ccccc15 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 N22 compound treatment 0.248 0.0023 0.11 0.247 0.0119 0.61 0.5119 0.824 1463713 ChemDiv1_003828 Clc1ccc(C2Nc3c(cccc3C4C=CCC42)C(=O)N5CCCC5)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 N23 mock treatment 0.252 0.0063 0.31 0.252 0.0169 0.87 0.8333 0.9037 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 N24 mock treatment 0.243 -0.0027 -0.13 0.235 -1.33E-4 -0.01 -0.099 -0.7426 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 O01 compound treatment 0.215 -0.0307 -1.51 0.207 -0.0281 -1.45 -2.0934 -0.9998 1972164 ChemDiv1_003829 CC(=O)c1cccc(NC(=O)c2cc(nc3ccccc23)c4ccccc4)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 O02 compound treatment 0.254 0.0083 0.41 0.249 0.0139 0.71 0.7937 0.965 1972165 ChemDiv1_003830 CC(C)(C)c1ccc(Oc2c(oc3c(CN4CCOCC4)c(O)ccc3c2=O)C(F)(F)F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 O03 compound treatment 0.25 0.0043 0.21 0.262 0.0269 1.38 1.1276 0.8059 1222174 ChemDiv1_003831 CCOC(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)c4ccc(OC)cc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 O04 compound treatment 0.253 0.0073 0.36 0.256 0.0209 1.07 1.0137 0.8949 1947746 ChemDiv1_003832 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(OC)cc2)C(=O)Nc3ccccc3C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 O05 compound treatment 0.249 0.0033 0.16 0.247 0.0119 0.61 0.5468 0.865 1156086 ChemDiv1_003833 CCCCC(=O)N1C(C2=C(CC(C)(C)CC2=O)Nc3ccccc13)c4ccc(OC)cc4OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 O06 compound treatment 0.295 0.0493 2.43 0.321 0.0859 4.42 4.8426 0.9602 1267091 ChemDiv1_003834 CCOc1cc(ccc1OC(=O)C)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(OC)cc4)C(=O)OC(C)CC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 O07 compound treatment 0.244 -0.0017 -0.08 0.243 0.00787 0.4 0.227 0.5489 1972166 ChemDiv1_003835 CC(C)C(=O)N1C(C2=C(CC(C)(C)CC2=O)Nc3ccccc13)c4ccc(Br)s4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 O08 compound treatment 0.268 0.0223 1.1 0.263 0.0279 1.43 1.7909 0.9913 1972167 ChemDiv1_003836 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)/C=C/c4ccc(cc4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 O09 compound treatment 0.246 2.96E-4 0.01 0.246 0.0109 0.56 0.4059 0.7253 1623516 ChemDiv1_003837 COc1ccc(cc1OC)C2N(C(=O)Cc3ccccc3)c4ccccc4NC5=C2C(=O)CC(C)(C)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 O10 compound treatment 0.241 -0.0047 -0.23 0.243 0.00787 0.4 0.1226 0.2627 1972168 ChemDiv1_003838 COc1cc(OC)cc(c1)C(=O)Nn2c(nc3ccccc3c2=O)c4cc(OC)c(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 O11 compound treatment 0.261 0.0153 0.75 0.256 0.0209 1.07 1.2923 0.9849 1440060 ChemDiv1_003839 CCOc1cc(ccc1OC(=O)C)C2N(C(=O)C)c3ccccc3NC4=C2C(=O)CC(C)(C)C4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 O12 compound treatment 0.251 0.0053 0.26 0.252 0.0169 0.87 0.7984 0.8807 1425465 ChemDiv1_003840 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)c4cccnc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 O13 compound treatment 0.357 0.111 5.48 0.346 0.111 5.71 7.9119 0.9998 1783841 ChemDiv1_003841 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3NC2c4ccc(o4)c5ccc(cc5Cl)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 O14 compound treatment 0.249 0.0033 0.16 0.258 0.0229 1.18 0.9472 0.7971 1672961 ChemDiv1_003842 CCOc1cc(ccc1OC(=O)C)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc(OC)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 O15 compound treatment 0.244 -0.0017 -0.08 0.248 0.0129 0.66 0.409 0.6126 1512562 ChemDiv1_003843 CCOc1ccccc1C2N(C(=O)c3ccccc3)c4ccccc4NC5=C2C(=O)CC(C)(C)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 O16 compound treatment 0.262 0.0163 0.8 0.256 0.0209 1.07 1.3271 0.9897 1927506 ChemDiv1_003844 COc1ccc(cc1)C2=NN(C(C2)c3ccccc3F)C(=O)CCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 O17 compound treatment 0.254 0.0083 0.41 0.268 0.0329 1.69 1.4854 0.8533 1373677 ChemDiv1_003845 COc1cc(cc(OC)c1OC)C2N(C(=O)c3ccccc3)c4ccccc4NC5=C2C(=O)CC(C)(C)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 O18 compound treatment 0.264 0.0183 0.9 0.267 0.0319 1.64 1.7972 0.9602 1972169 ChemDiv1_003846 Cc1nc(SCC(=O)c2ccc(Br)cc2)c(C#N)c(C)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 O19 compound treatment 0.252 0.0063 0.31 0.251 0.0159 0.82 0.7969 0.912 1948568 ChemDiv1_003847 CCOC(=O)c1c(C)c(sc1NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)Nc3ccccc3C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 O20 compound treatment 0.251 0.0053 0.26 0.25 0.0149 0.77 0.7256 0.8974 1500574 ChemDiv1_003848 Cc1ccc(cc1)N2C(=O)CC(Sc3nc4CCCc4cc3C#N)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 O21 compound treatment 0.251 0.0053 0.26 0.254 0.0189 0.97 0.8712 0.8663 1972170 ChemDiv1_003849 COc1cc(ccc1OCc2ccc(Cl)cc2)C(=O)Nc3ccc(c4nc5ccccc5s4)c(O)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 O22 compound treatment 0.255 0.0093 0.46 0.257 0.0219 1.13 1.1198 0.9214 1697087 ChemDiv1_003850 O=c1n(c2ccccc2)c(=S)[nH]c3sc4CCCc4c13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 O23 mock treatment 0.249 0.0033 0.16 0.251 0.0159 0.82 0.6924 0.8314 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 O24 mock treatment 0.225 -0.0207 -1.02 0.215 -0.0201 -1.04 -1.4539 -1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 P01 compound treatment 0.18 -0.0657 -3.24 0.193 -0.0421 -2.17 -3.822 -0.9811 1972171 ChemDiv1_003851 COc1ccc(/C=C(\C#N)/C(=O)Nn2c(nc3ccccc3c2=O)c4cc(OC)cc(OC)c4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 P02 compound treatment 0.213 -0.0327 -1.61 0.212 -0.0231 -1.19 -1.9811 -0.989 1707355 ChemDiv1_003852 CCc1ccc(cc1)C(=O)On2c(nc3ccccc3c2=O)c4ccc(cc4)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 P03 compound treatment 0.225 -0.0207 -1.02 0.224 -0.0111 -0.57 -1.1263 -0.9629 1467969 ChemDiv1_003853 COc1ccc(cc1OC)c2nc3ccccc3c(=O)n2NC(=O)c4ccccc4Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 P04 compound treatment 0.208 -0.0377 -1.86 0.189 -0.0461 -2.37 -2.9925 -0.9926 1206674 ChemDiv1_003854 COc1cc(OC)cc(c1)c2nc3ccccc3c(=O)n2OC(=O)c4cc(Cl)ccc4OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 P05 compound treatment 0.235 -0.0107 -0.53 0.25 0.0149 0.77 0.1684 0.1812 1118146 ChemDiv1_003855 COc1cc(cc(OC)c1OC)C2Nc3ccc(cc3NC4=C2C(=O)CCC4)C(=O)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 P06 compound treatment 0.248 0.0023 0.11 0.234 -0.00113 -0.06 0.0387 0.3042 1924167 ChemDiv1_003856 COc1ccccc1c2c(oc3c(CN4CCOCC4)c(O)ccc3c2=O)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 P07 compound treatment 0.22 -0.0257 -1.27 0.199 -0.0361 -1.86 -2.2105 -0.9824 1517667 ChemDiv1_003857 COc1ccc(cc1COc2ccc(F)cc2)C3Nc4ccccc4C(=O)N3c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 P08 compound treatment 0.229 -0.0167 -0.82 0.231 -0.00413 -0.21 -0.7322 -0.8616 1972172 ChemDiv1_003858 CCOC(=O)C1=C(CCl)OC(=C(C#N)C1c2ccccc2F)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 P09 compound treatment 0.241 -0.0047 -0.23 0.213 -0.0221 -1.14 -0.9695 -0.8338 1473601 ChemDiv1_003859 COc1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccc(OC)c(CSc5ccccn5)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 P10 compound treatment 0.222 -0.0237 -1.17 0.216 -0.0191 -0.99 -1.522 -0.9964 1972173 ChemDiv1_003860 CCCCOc1ccc(cc1OC)C2C(=C(N)OC3=C2C(=O)CC(C)(C)C3)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 P11 compound treatment 0.227 -0.0187 -0.92 0.228 -0.00713 -0.37 -0.9111 -0.9187 1612531 ChemDiv1_003861 COc1ccc(cc1COc2ccc(NC(=O)C)cc2)C3Nc4ccccc4C(=O)N3c5ccc(F)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 P12 compound treatment 0.246 2.96E-4 0.01 0.245 0.00987 0.51 0.3695 0.7271 1505633 ChemDiv1_003862 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C2c3ccccc3OCc4ccc(Cl)cc4)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 P13 compound treatment 0.242 -0.0037 -0.18 0.238 0.00287 0.15 -0.0246 -0.105 1424987 ChemDiv1_003863 COc1ccc(cc1COc2ccccc2F)C3Nc4ccccc4C(=O)N3c5ccc(C)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 P14 compound treatment 0.235 -0.0107 -0.53 0.245 0.00987 0.51 -0.0136 -0.0186 1972174 ChemDiv1_003864 COc1ccc(cc1COc2ccc(F)cc2)C3C(=C(N)OC4=C3C(=O)CC(C)(C)C4)C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 P15 compound treatment 0.21 -0.0357 -1.76 0.198 -0.0371 -1.91 -2.5952 -0.9991 1434459 ChemDiv1_003865 COc1ccc(cc1CSc2nc3ccccc3s2)C4Nc5ccccc5C(=O)N4Cc6ccccc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 P16 compound treatment 0.213 -0.0327 -1.61 0.21 -0.0251 -1.29 -2.0539 -0.9941 1972175 ChemDiv1_003866 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C2c3ccc(o3)c4cc(ccc4Cl)[N+](=O)[O-])N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 P17 compound treatment 0.212 -0.0337 -1.66 0.227 -0.00813 -0.42 -1.4699 -0.8586 1348575 ChemDiv1_003867 COc1cccc(OCc2cc(ccc2OC)C3Nc4ccccc4C(=O)N3c5cccc6ccccc56)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 P18 compound treatment 0.217 -0.0287 -1.41 0.206 -0.0291 -1.5 -2.0602 -0.9996 1972176 ChemDiv1_003868 CCOC(=O)C1=C(OC(=C(C#N)C1c2ccc(cc2)C(F)(F)F)N)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 P19 compound treatment 0.209 -0.0367 -1.81 0.221 -0.0141 -0.73 -1.7928 -0.92 1366774 ChemDiv1_003869 CCOC(=O)C1=C(N)OC2=C(C1c3ccc(O)c(OC)c3)C(=O)CC(C)(C)C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 P20 compound treatment 0.228 -0.0177 -0.87 0.207 -0.0281 -1.45 -1.6407 -0.9705 1398782 ChemDiv1_003870 CCOC(=O)C1=C(N)OC2=C(C1c3ccc(OCc4ccccc4)cc3)C(=O)CC(C)(C)C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 P21 compound treatment 0.222 -0.0237 -1.17 0.22 -0.0151 -0.78 -1.3764 -0.9807 1263674 ChemDiv1_003871 O=C1N(CCCc2nc3ccccc3c(=O)n2CCCn4ccnc4)C(=O)c5ccccc15 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 P22 compound treatment 0.244 -0.0017 -0.08 0.242 0.00687 0.35 0.1906 0.5247 1784338 ChemDiv1_003872 [O-][N+](=O)c1cccc(c1)C2Nc3c(cccc3C4C=CCC42)C(=O)N5CCCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 P23 mock treatment 0.209 -0.0367 -1.81 0.194 -0.0411 -2.12 -2.7756 -0.9969 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.597 P24 mock treatment 0.183 -0.0627 -3.09 0.21 -0.0251 -1.29 -3.0987 -0.9254 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 A01 compound treatment 0.187 -0.0479 -2.36 0.184 -0.0551 -2.84 -3.674 -0.9958 1463327 ChemDiv1_003873 CC(NC(=O)c1ccc2OCCOc2c1)C3(CC4CC5CC(C4)C3)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 A02 compound treatment 0.208 -0.0269 -1.32 0.215 -0.0241 -1.24 -1.8141 -0.9995 1723746 ChemDiv1_003874 COc1cccc(C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4)c1OCc5ccccc5Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 A03 compound treatment 0.242 0.0071 0.35 0.24 9.0E-4 0.05 0.28 0.7939 1563473 ChemDiv1_003875 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4ccccc4s3)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 A04 compound treatment 0.221 -0.0139 -0.68 0.221 -0.0181 -0.93 -1.143 -0.9885 1949072 ChemDiv1_003876 CCOC(=O)c1c(C)c(sc1NC(=O)c2cccc(F)c2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 A05 compound treatment 0.214 -0.0209 -1.03 0.224 -0.0151 -0.78 -1.2776 -0.9904 1972177 ChemDiv1_003877 Cc1ccc(cc1)C2=NN3C(C2)c4ccccc4OC3c5ccc(OCc6ccccc6)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 A06 compound treatment 0.208 -0.0269 -1.32 0.214 -0.0251 -1.29 -1.8505 -0.9999 1972178 ChemDiv1_003878 CCOC(=O)c1c(C)c(sc1NC(=O)Cc2ccc(Cl)cc2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 A07 compound treatment 0.218 -0.0169 -0.83 0.223 -0.0161 -0.83 -1.1747 -1.0 1972179 ChemDiv1_003879 CC(C)(C)c1ccc(cc1)C2Oc3ccccc3C4CC(=NN42)c5ccc(Br)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 A08 compound treatment 0.2 -0.0349 -1.72 0.208 -0.0311 -1.6 -2.3476 -0.9994 1924438 ChemDiv1_003880 CCOC(=O)c1c(C)c(sc1NC(=O)COc2ccccc2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 A09 compound treatment 0.204 -0.0309 -1.52 0.223 -0.0161 -0.83 -1.6622 -0.9592 1972180 ChemDiv1_003881 Brc1ccc(cc1)C2=NN3C(C2)c4ccccc4OC3c5ccc(OC(=O)c6ccccc6)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 A10 compound treatment 0.202 -0.0329 -1.62 0.213 -0.0261 -1.34 -2.0959 -0.9957 1729280 ChemDiv1_003882 CC(=O)Nc1ccc(cc1)c2nc(nc3ccccc23)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 A11 compound treatment 0.267 0.0321 1.58 0.297 0.0579 2.98 3.2256 0.956 1438346 ChemDiv1_003883 CCOc1cc(ccc1OC(=O)C2CC2)C3Nc4ccccc4NC5=C3C(=O)CC(C5)c6ccc(OC)cc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 A12 compound treatment 0.231 -0.0039 -0.19 0.222 -0.0171 -0.88 -0.7583 -0.8416 1331516 ChemDiv1_003884 CCOC(=O)C1=C(C)N=c2sc(=Cc3c[nH]c4ccccc34)c(=O)n2C1c5ccc(OC)cc5OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 A13 compound treatment 0.296 0.0611 3.01 0.298 0.0589 3.03 4.272 1.0 1339658 ChemDiv1_003885 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccc(Br)s5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 A14 compound treatment 0.199 -0.0359 -1.77 0.221 -0.0181 -0.93 -1.9092 -0.9552 1972181 ChemDiv1_003886 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cc(OC)c(OC)cc3Br)C(=O)CC(C)(C)C2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 A15 compound treatment 0.214 -0.0209 -1.03 0.222 -0.0171 -0.88 -1.3504 -0.997 1924588 ChemDiv1_003887 Brc1cc2OCOc2cc1C3Nc4ccccc4NC5=C3C(=O)CC(C5)c6ccc7OCOc7c6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 A16 compound treatment 0.201 -0.0339 -1.67 0.208 -0.0311 -1.6 -2.3128 -0.9998 1471125 ChemDiv1_003888 CCOC(=O)c1c(C)c(sc1NC(=O)Cc2ccc(OC)cc2)C(=O)Nc3ccccc3C(=O)OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 A17 compound treatment 0.222 -0.0129 -0.64 0.224 -0.0151 -0.78 -0.9989 -0.995 1929185 ChemDiv1_003889 COc1cc(/C=C\2/C(=NN(C2=O)c3ccc(cc3)S(=O)(=O)N)C)cc(Cl)c1OCc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 A18 compound treatment 0.215 -0.0199 -0.98 0.202 -0.0371 -1.91 -2.0436 -0.9519 1163079 ChemDiv1_003890 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5coc6ccccc6c5=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 A19 compound treatment 0.226 -0.0089 -0.44 0.208 -0.0311 -1.6 -1.4421 -0.8687 1972182 ChemDiv1_003891 CCOC(=O)COc1ccc(Br)cc1C=C2C(=O)NC(=O)NC2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 A20 compound treatment 0.22 -0.0149 -0.73 0.206 -0.0331 -1.7 -1.7238 -0.9291 1972183 ChemDiv1_003892 COc1ccc(Br)c(c1)C(=O)On2c(nc3ccccc3c2=O)c4cc(OC)cc(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 A21 compound treatment 0.234 -9.0E-4 -0.04 0.244 0.0049 0.25 0.147 0.5741 1972184 ChemDiv1_003893 COc1cc(ccc1OCC(=O)Nc2ccc3OCOc3c2)C4C5=C(CC(C)(C)CC5=O)OC6=C4C(=O)CC(C)(C)C6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 A22 compound treatment 0.225 -0.0099 -0.49 0.239 -1.0E-4 -0.01 -0.3484 -0.7145 1972185 ChemDiv1_003894 COc1cccc(c1)c2nc3ccccc3c(=O)n2NC(=O)c4cc(Br)ccc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 A23 mock treatment 0.197 -0.0379 -1.87 0.209 -0.0301 -1.55 -2.4157 -0.9957 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 A24 mock treatment 0.182 -0.0529 -2.61 0.192 -0.0471 -2.42 -3.5569 -0.9994 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 B01 compound treatment 0.198 -0.0369 -1.82 0.229 -0.0101 -0.52 -1.6528 -0.8743 1972186 ChemDiv1_003895 COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OS(=O)(=O)c3ccccc3[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 B02 compound treatment 0.256 0.0211 1.04 0.26 0.0209 1.08 1.4957 0.9998 1925285 ChemDiv1_003896 FC(F)(F)C1CC(Nc2c(cnn12)C(=O)N3CCN(CC3)C(c4ccccc4)c5ccccc5)c6cccs6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 B03 compound treatment 0.262 0.0271 1.33 0.261 0.0219 1.13 1.741 0.9965 1929108 ChemDiv1_003897 CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCOc3ccccc3OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 B04 compound treatment 0.254 0.0191 0.94 0.251 0.0119 0.61 1.0984 0.9784 1972187 ChemDiv1_003898 COc1cc(cc(OC)c1OC)C2CC(n3ncc(C(=O)N4CCN(CC4)C(c5ccccc5)c6ccccc6)c3N2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 B05 compound treatment 0.261 0.0261 1.29 0.258 0.0189 0.97 1.597 0.9906 1929184 ChemDiv1_003899 CN1C(=O)N(C)C(=O)C(=Cc2ccccc2OS(=O)(=O)c3ccc(C)cc3)C1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 B06 compound treatment 0.251 0.0161 0.79 0.248 0.0089 0.46 0.8847 0.966 1972188 ChemDiv1_003900 FC(F)(F)C1CC(Nc2cc(nn12)C(=O)Nc3sc4CCCCc4c3C#N)c5ccc6OCOc6c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 B07 compound treatment 0.278 0.0431 2.12 0.272 0.0329 1.69 2.6987 0.9937 1948721 ChemDiv1_003901 COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCCOc3ccccc3C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 B08 compound treatment 0.275 0.0401 1.98 0.26 0.0209 1.08 2.1574 0.9592 1925250 ChemDiv1_003902 FC(F)(F)C1CC(Nc2c(cnn12)C(=O)N3CCN(CC3)C(=O)c4ccccc4)c5ccc(Br)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 B09 compound treatment 0.262 0.0271 1.33 0.259 0.0199 1.02 1.6682 0.9915 1379236 ChemDiv1_003903 CC1CCCN(CN2C(=O)C3(OCCO3)c4ccccc24)C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 B10 compound treatment 0.254 0.0191 0.94 0.255 0.0159 0.82 1.244 0.9976 1972189 ChemDiv1_003904 FC(F)(F)C1CC(Nc2c(Br)c(nn12)C(=O)N3CCN(Cc4ccccc4)CC3)c5ccco5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 B11 compound treatment 0.255 0.0201 0.99 0.255 0.0159 0.82 1.2788 0.9955 1972190 ChemDiv1_003905 Fc1ccc(NC(=O)C(=O)NCCN2CCN(CC2)S(=O)(=O)c3ccc(Cl)cc3)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 B12 compound treatment 0.25 0.0151 0.74 0.259 0.0199 1.02 1.2503 0.9876 1972191 ChemDiv1_003906 FC(F)(F)C1CC(Nc2c(Cl)c(nn12)C(=O)N3CCN(CC3)C(=O)c4ccccc4)c5ccco5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 B13 compound treatment 0.266 0.0311 1.53 0.266 0.0269 1.38 2.0623 0.9987 1972192 ChemDiv1_003907 CC1CCc2c(C(=O)N)c(NC(=O)c3cc4nc(cc(n4n3)C(F)(F)F)c5ccco5)sc2C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 B14 compound treatment 0.255 0.0201 0.99 0.253 0.0139 0.72 1.206 0.9873 1972193 ChemDiv1_003908 Cc1ccc(cc1)C2CC(n3nc(C(=O)N4CCN(CC4)C(=O)c5ccccc5)c(Cl)c3N2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 B15 compound treatment 0.257 0.0221 1.09 0.255 0.0159 0.82 1.3485 0.9901 1972194 ChemDiv1_003909 Cc1ccc(cc1)c2cc(n3nc(C(=O)NCCCN4CCOCC4)c(Cl)c3n2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 B16 compound treatment 0.256 0.0211 1.04 0.254 0.0149 0.77 1.2772 0.9888 1930326 ChemDiv1_003910 COc1ccc(cc1OC)C2CC(n3nc(C(=O)NCc4cccs4)c(Cl)c3N2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 B17 compound treatment 0.284 0.0491 2.42 0.277 0.0379 1.95 3.0897 0.9943 1972195 ChemDiv1_003911 FC(F)(F)C1CC(Nc2c(Br)c(nn12)C(=O)Nc3ccc(Cl)cc3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 B18 compound treatment 0.255 0.0201 0.99 0.253 0.0139 0.72 1.206 0.9873 1972196 ChemDiv1_003912 Cc1ccc(cc1)C2CC(n3ncc(C(=O)Nc4cc(Sc5ccc(Br)cc5)cc(c4)[N+](=O)[O-])c3N2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 B19 compound treatment 0.252 0.0171 0.84 0.252 0.0129 0.66 1.0651 0.9931 1924548 ChemDiv1_003913 COc1cc(NC(=O)c2nn3C(CC(Nc3c2Br)c4cccs4)C(F)(F)F)c(OC)cc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 B20 compound treatment 0.254 0.0191 0.94 0.255 0.0159 0.82 1.244 0.9976 1972197 ChemDiv1_003914 O=C(N1CCOCC1)c2ccc(NS(=O)(=O)c3ccc4C(=O)c5ccccc5C(=O)c4c3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 B21 compound treatment 0.252 0.0171 0.84 0.253 0.0139 0.72 1.1015 0.9967 1930258 ChemDiv1_003915 COc1cc(NC(=O)c2nn3C(CC(Nc3c2Br)c4cccs4)C(F)(F)F)cc(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 B22 compound treatment 0.252 0.0171 0.84 0.25 0.0109 0.56 0.9923 0.9805 1446667 ChemDiv1_003916 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)cc3)c(=O)n2C1c4ccccc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 B23 mock treatment 0.254 0.0191 0.94 0.247 0.0079 0.41 0.9528 0.9296 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 B24 mock treatment 0.229 -0.0059 -0.29 0.225 -0.0141 -0.73 -0.7188 -0.9193 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 C01 compound treatment 0.204 -0.0309 -1.52 0.229 -0.0101 -0.52 -1.4438 -0.8977 1175574 ChemDiv1_003917 CCOc1cccc(c1)C(=O)Nc2cc(ccc2Cl)c3nc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 C02 compound treatment 0.248 0.0131 0.65 0.241 0.0019 0.1 0.5254 0.8051 1611526 ChemDiv1_003918 COc1cc(C=c2sc3nc4ccccc4n3c2=O)c(Br)cc1OCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 C03 compound treatment 0.258 0.0231 1.14 0.26 0.0209 1.08 1.5653 0.9996 1222832 ChemDiv1_003919 O=C(CSc1nc2ccccc2s1)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 C04 compound treatment 0.247 0.0121 0.6 0.242 0.0029 0.15 0.527 0.8577 1924433 ChemDiv1_003920 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Cl)c(c2)[N+](=O)[O-])C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 C05 compound treatment 0.246 0.0111 0.55 0.242 0.0029 0.15 0.4921 0.8684 1972198 ChemDiv1_003921 CCCCCOc1ccc(cc1)C2Oc3ccccc3C4CC(=NN42)c5ccc(OC)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 C06 compound treatment 0.245 0.0101 0.5 0.246 0.0069 0.36 0.6029 0.9864 1972199 ChemDiv1_003922 CCOC(=O)c1c(C)c(sc1NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 C07 compound treatment 0.244 0.0091 0.45 0.244 0.0049 0.25 0.4953 0.963 1972200 ChemDiv1_003923 Clc1ccc(cc1)C2Oc3ccccc3C4CC(=NN42)c5ccc(Br)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 C08 compound treatment 0.279 0.0441 2.17 0.25 0.0109 0.56 1.9327 0.8615 1924587 ChemDiv1_003924 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(OC)cc2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 C09 compound treatment 0.263 0.0281 1.38 0.244 0.0049 0.25 1.157 0.8224 1972201 ChemDiv1_003925 Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C3Oc4ccccc4C5CC(=NN53)c6ccc(C)cc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 C10 compound treatment 0.248 0.0131 0.65 0.247 0.0079 0.41 0.7438 0.9752 1156448 ChemDiv1_003926 CC(=O)Nc1ccc(cc1)c2nc(c3ccccc3)c4ccccc4n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 C11 compound treatment 0.254 0.0191 0.94 0.253 0.0139 0.72 1.1712 0.9909 1284246 ChemDiv1_003927 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccc(O)c(OC)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 C12 compound treatment 0.248 0.0131 0.65 0.247 0.0079 0.41 0.7438 0.9752 1972202 ChemDiv1_003928 COc1cc(/C=C/2\Sc3ccccc3C2=O)cc(Cl)c1OC(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 C13 compound treatment 0.261 0.0261 1.29 0.255 0.0159 0.82 1.4878 0.9762 1674807 ChemDiv1_003929 CCOc1ccc(cc1)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc(OC)c(OC)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 C14 compound treatment 0.257 0.0221 1.09 0.258 0.0189 0.97 1.4577 0.9984 1972203 ChemDiv1_003930 COc1cc(Br)c(cc1OC)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)OCCOc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 C15 compound treatment 0.295 0.0601 2.96 0.291 0.0519 2.67 3.9824 0.9987 1972204 ChemDiv1_003931 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccc(cc5)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 C16 compound treatment 0.249 0.0141 0.69 0.249 0.0099 0.51 0.8514 0.9884 1145640 ChemDiv1_003932 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccccc2F)C(=O)Nc3ccc(OC)cc3OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 C17 compound treatment 0.266 0.0311 1.53 0.267 0.0279 1.44 2.0987 0.9995 1947191 ChemDiv1_003933 CC/1=NN(C(=O)\C1=C/c2ccc(o2)c3ccc(Cl)c(c3)C(=O)O)c4cccc(c4)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 C18 compound treatment 0.252 0.0171 0.84 0.251 0.0119 0.61 1.0287 0.9878 1948720 ChemDiv1_003934 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc6OCOc6cc5[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 C19 compound treatment 0.28 0.0451 2.22 0.264 0.0249 1.28 2.4771 0.9659 1972205 ChemDiv1_003935 COc1cc(/C=C/2\Sc3ccccc3C2=O)cc(Br)c1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 C20 compound treatment 0.245 0.0101 0.5 0.23 -0.0091 -0.47 0.0205 0.03 1972206 ChemDiv1_003936 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)Cn4nc(c(Br)c4C)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 C21 compound treatment 0.241 0.0061 0.3 0.244 0.0049 0.25 0.3908 0.9962 1229431 ChemDiv1_003937 Cn1cnnc1Sc2nc3n(C)c(=O)n(C)c(=O)c3n2Cc4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 C22 compound treatment 0.23 -0.0049 -0.24 0.23 -0.0091 -0.47 -0.5019 -0.9524 1972207 ChemDiv1_003938 COc1cccc(c1)c2nc3ccccc3c(=O)n2NC(=O)Cn4nc(c(Br)c4C)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 C23 mock treatment 0.239 0.0041 0.2 0.237 -0.0021 -0.11 0.0663 0.2896 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 C24 mock treatment 0.203 -0.0319 -1.57 0.221 -0.0181 -0.93 -1.7699 -0.9689 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 D01 compound treatment 0.234 -9.0E-4 -0.04 0.22 -0.0191 -0.98 -0.7266 -0.7382 1927707 ChemDiv1_003939 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCSc3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 D02 compound treatment 0.265 0.0301 1.48 0.252 0.0129 0.66 1.5179 0.9344 1972208 ChemDiv1_003940 CCOc1ccc(Oc2cc(NC(=O)c3cnn4C(CC(Nc34)c5cccs5)C(F)(F)F)cc(c2)[N+](=O)[O-])cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 D03 compound treatment 0.295 0.0601 2.96 0.295 0.0559 2.88 4.128 0.9999 1972209 ChemDiv1_003941 CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCOc3cccc(C)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 D04 compound treatment 0.248 0.0131 0.65 0.253 0.0139 0.72 0.9622 0.9987 1924328 ChemDiv1_003942 COc1cc(cc(OC)c1OC)C2CC(n3ncc(C(=O)N4CCN(Cc5ccccc5)CC4)c3N2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 D05 compound treatment 0.262 0.0271 1.33 0.262 0.0229 1.18 1.7774 0.9981 1949044 ChemDiv1_003943 CC(C)(C)c1ccc(OCCOc2ccccc2C=C3C(=O)NC(=S)NC3=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 D06 compound treatment 0.249 0.0141 0.69 0.249 0.0099 0.51 0.8514 0.9884 1924440 ChemDiv1_003944 CCOC(=O)c1sc(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c4ccc5OCOc5c4)c(C(=O)OCC)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 D07 compound treatment 0.263 0.0281 1.38 0.26 0.0209 1.08 1.7394 0.9923 1925375 ChemDiv1_003945 CCOC(=O)CSCCOc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 D08 compound treatment 0.284 0.0491 2.42 0.282 0.0429 2.21 3.2717 0.999 1924351 ChemDiv1_003946 COc1ccccc1N2CCN(CC2)C(=O)c3cnn4C(CC(Nc34)c5ccc(Br)cc5)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 D09 compound treatment 0.265 0.0301 1.48 0.252 0.0129 0.66 1.5179 0.9344 1489354 ChemDiv1_003947 Cc1ccc(cc1Cl)N2C(=O)CSC23C(=O)Nc4ccccc43 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 D10 compound treatment 0.29 0.0551 2.71 0.255 0.0159 0.82 2.4978 0.8812 1972210 ChemDiv1_003948 FC(F)(F)C1CC(Nc2c(Br)c(nn12)C(=O)Nc3sc4CCCCc4c3C#N)c5ccco5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 D11 compound treatment 0.268 0.0331 1.63 0.256 0.0169 0.87 1.768 0.9568 1709596 ChemDiv1_003949 COc1cccc(c1)C(=O)Nc2ccc(O)c(c2)c3nc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 D12 compound treatment 0.256 0.0211 1.04 0.258 0.0189 0.97 1.4229 0.9995 1972211 ChemDiv1_003950 COc1cc(NC(=O)c2nn3C(CC(Nc3c2Cl)c4ccco4)C(F)(F)F)cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 D13 compound treatment 0.262 0.0271 1.33 0.252 0.0129 0.66 1.4134 0.9481 1972212 ChemDiv1_003951 CC(C)OC(=O)c1c(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)sc3CC(C)CCc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 D14 compound treatment 0.247 0.0121 0.6 0.25 0.0109 0.56 0.8182 0.9995 1972213 ChemDiv1_003952 COc1ccc(cc1OC)C2CC(n3nc(C(=O)Nc4ccc(cc4)C(C)O)c(Cl)c3N2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 D15 compound treatment 0.249 0.0141 0.69 0.251 0.0119 0.61 0.9242 0.998 1972214 ChemDiv1_003953 COc1ccc(cc1OC)c2cc(n3nc(C(=O)NCc4cccnc4)c(Cl)c3n2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 D16 compound treatment 0.256 0.0211 1.04 0.256 0.0169 0.87 1.3501 0.9961 1930322 ChemDiv1_003954 COc1ccc(cc1OC)C2CC(n3nc(C(=O)Nc4ccc5OCOc5c4)c(Cl)c3N2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 D17 compound treatment 0.306 0.0711 3.5 0.301 0.0619 3.19 4.7295 0.9989 1972215 ChemDiv1_003955 FC(F)(F)C1CC(Nc2c(Br)c(nn12)C(=O)Nc3cccc(Cl)c3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 D18 compound treatment 0.25 0.0151 0.74 0.252 0.0129 0.66 0.9955 0.9984 1972216 ChemDiv1_003956 Cc1c(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c4ccc(C)cc4)c(=O)n(c5ccccc5)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 D19 compound treatment 0.266 0.0311 1.53 0.264 0.0249 1.28 1.9895 0.9961 1930345 ChemDiv1_003957 COc1ccc(NC(=O)c2nn3C(CC(Nc3c2Br)c4cccs4)C(F)(F)F)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 D20 compound treatment 0.255 0.0201 0.99 0.251 0.0119 0.61 1.1332 0.9734 1621854 ChemDiv1_003958 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(C)c4ccccc34)c(=O)n2C1c5ccc(OC)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 D21 compound treatment 0.247 0.0121 0.6 0.256 0.0169 0.87 1.0366 0.983 1924463 ChemDiv1_003959 Fc1ccc(cc1)N2CCN(CC2)C(=O)c3nn4C(CC(Nc4c3Cl)c5cccs5)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 D22 compound treatment 0.254 0.0191 0.94 0.251 0.0119 0.61 1.0984 0.9784 1602163 ChemDiv1_003960 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)cc3OC(=O)C)c(=O)n2C1c4ccccc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 D23 mock treatment 0.249 0.0141 0.69 0.249 0.0099 0.51 0.8514 0.9884 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 D24 mock treatment 0.225 -0.0099 -0.49 0.235 -0.0041 -0.21 -0.494 -0.9298 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 E01 compound treatment 0.241 0.0061 0.3 0.234 -0.0051 -0.26 0.0268 0.0671 1277264 ChemDiv1_003961 CCOc1cc(cc(OCC)c1OCC)C(=O)Nc2cccc(c3nc4ccccc4s3)c2C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 E02 compound treatment 0.256 0.0211 1.04 0.257 0.0179 0.92 1.3865 0.9982 1385254 ChemDiv1_003962 COc1ccc(OC)c(Nc2nc3nonc3nc2Nc4cccc(Br)c4)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 E03 compound treatment 0.296 0.0611 3.01 0.274 0.0349 1.8 3.3984 0.9696 1494085 ChemDiv1_003963 CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4ccccc4s3)cc2)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 E04 compound treatment 0.256 0.0211 1.04 0.254 0.0149 0.77 1.2772 0.9888 1924459 ChemDiv1_003964 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccccc2F)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 E05 compound treatment 0.254 0.0191 0.94 0.253 0.0139 0.72 1.1712 0.9909 1972217 ChemDiv1_003965 COc1ccc(cc1)C2=NN3C(C2)c4ccccc4OC3c5ccc(OCc6ccccc6)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 E06 compound treatment 0.257 0.0221 1.09 0.255 0.0159 0.82 1.3485 0.9901 1925598 ChemDiv1_003966 CCOC(=O)c1c(C)c(sc1NC(=O)Cc2cccs2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 E07 compound treatment 0.267 0.0321 1.58 0.262 0.0229 1.18 1.9516 0.9896 1607679 ChemDiv1_003967 CCOc1ccc(cc1)C2Oc3ccccc3C4CC(=NN42)c5cccc6ccccc56 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 E08 compound treatment 0.271 0.0361 1.78 0.259 0.0199 1.02 1.9817 0.9657 1972218 ChemDiv1_003968 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(C)cc2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 E09 compound treatment 0.259 0.0241 1.19 0.255 0.0159 0.82 1.4181 0.9835 1972219 ChemDiv1_003969 Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C3Oc4ccccc4C5CC(=NN53)c6ccc(Cl)cc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 E10 compound treatment 0.284 0.0491 2.42 0.261 0.0219 1.13 2.5072 0.9397 1230466 ChemDiv1_003970 CC(=O)Nc1cccc(c1)c2nc(nc3ccccc23)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 E11 compound treatment 0.288 0.0531 2.62 0.266 0.0269 1.38 2.8285 0.9558 1216946 ChemDiv1_003971 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc(OC)c(O)c(OC)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 E12 compound treatment 0.27 0.0351 1.73 0.263 0.0239 1.23 2.0924 0.9861 1496354 ChemDiv1_003972 CC1CCN(CC1)c2nc(NCc3cccnc3)nc(n2)N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 E13 compound treatment 0.296 0.0611 3.01 0.279 0.0399 2.05 3.5804 0.9827 1297290 ChemDiv1_003973 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5coc6ccc(C)cc6c5=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 E14 compound treatment 0.286 0.0511 2.52 0.282 0.0429 2.21 3.3413 0.9979 1165062 ChemDiv1_003974 CCOC(=O)C1=C(C)NC2=C(C1c3ccc(OC)cc3OC)C(=O)CC(C2)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 E15 compound treatment 0.296 0.0611 3.01 0.281 0.0419 2.16 3.6532 0.9867 1674241 ChemDiv1_003975 CCOc1ccccc1C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc(OC)c(OC)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 E16 compound treatment 0.257 0.0221 1.09 0.259 0.0199 1.02 1.4941 0.9995 1924592 ChemDiv1_003976 CCOC(=O)c1c(C)c(sc1NC(=O)c2cccs2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 E17 compound treatment 0.265 0.0301 1.48 0.266 0.0269 1.38 2.0275 0.9994 1972220 ChemDiv1_003977 CCOC(=O)c1cc(ccc1Cl)c2ccc(/C=C\3/C(=NN(C3=O)c4cccc(c4)C(=O)O)C)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 E18 compound treatment 0.293 0.0581 2.86 0.288 0.0489 2.52 3.8035 0.998 1606919 ChemDiv1_003978 COc1cc(OC)cc(c1)c2nc3ccccc3c(=O)n2OC(=O)c4cc(C)c(C)cc4C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 E19 compound treatment 0.255 0.0201 0.99 0.263 0.0239 1.23 1.57 0.9942 1972221 ChemDiv1_003979 OC(=O)c1cccc(c1)N2N=C(/C(=C/c3ccc(o3)c4ccc5C(=O)NC(=O)c5c4)/C2=O)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 E20 compound treatment 0.287 0.0521 2.57 0.272 0.0329 1.69 3.0121 0.9797 1972222 ChemDiv1_003980 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)/C=C/c4ccccc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 E21 compound treatment 0.256 0.0211 1.04 0.258 0.0189 0.97 1.4229 0.9995 1972223 ChemDiv1_003981 COc1cc(/C=C/2\Sc3ccccc3C2=O)c(Br)cc1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 E22 compound treatment 0.258 0.0231 1.14 0.254 0.0149 0.77 1.3469 0.9816 1972224 ChemDiv1_003982 OC(=O)c1n[nH]c(NC(=O)c2ccc(Br)cc2)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 E23 mock treatment 0.25 0.0151 0.74 0.252 0.0129 0.66 0.9955 0.9984 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 E24 mock treatment 0.24 0.0051 0.25 0.232 -0.0071 -0.37 -0.0808 -0.1823 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 F01 compound treatment 0.231 -0.0039 -0.19 0.247 0.0079 0.41 0.1518 0.3374 1927496 ChemDiv1_003983 CC(C)(C)c1ccc(OCCOc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 F02 compound treatment 0.257 0.0221 1.09 0.255 0.0159 0.82 1.3485 0.9901 1972225 ChemDiv1_003984 [O-][N+](=O)c1cc(NC(=O)c2cnn3C(CC(Nc23)c4ccco4)C(F)(F)F)cc(Oc5ccc6CCCc6c5)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 F03 compound treatment 0.271 0.0361 1.78 0.275 0.0359 1.85 2.5641 0.9998 1972226 ChemDiv1_003985 CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCOc3ccc(C)c(C)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 F04 compound treatment 0.252 0.0171 0.84 0.256 0.0169 0.87 1.2107 0.9999 1925366 ChemDiv1_003986 COc1cc(NC(=O)c2cnn3C(CC(Nc23)c4cc(OC)c(OC)c(OC)c4)C(F)(F)F)cc(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 F05 compound treatment 0.272 0.0371 1.83 0.266 0.0269 1.38 2.2713 0.9906 1948826 ChemDiv1_003987 Cc1ccc(OCCOc2ccc(Cl)cc2C=C3C(=O)NC(=S)NC3=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 F06 compound treatment 0.273 0.0381 1.88 0.269 0.0299 1.54 2.4153 0.9952 1925361 ChemDiv1_003988 COc1cc(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c4ccc(Br)cc4)cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 F07 compound treatment 0.278 0.0431 2.12 0.268 0.0289 1.49 2.5531 0.9849 1926156 ChemDiv1_003989 CCOC(=O)CSCCOc1ccc(/C=C\2/C(=O)NC(=O)N(C2=O)c3ccc(OC)cc3)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 F08 compound treatment 0.288 0.0531 2.62 0.277 0.0379 1.95 3.229 0.9896 1925386 ChemDiv1_003990 COc1cc(NC(=O)c2cnn3C(CC(Nc23)c4ccc(Br)cc4)C(F)(F)F)cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 F09 compound treatment 0.26 0.0251 1.24 0.265 0.0259 1.33 1.817 0.9993 1368321 ChemDiv1_003991 O=C1N(CN2CCOCC2)c3ccccc3C41OCCCO4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 F10 compound treatment 0.262 0.0271 1.33 0.257 0.0179 0.92 1.5954 0.9836 1972227 ChemDiv1_003992 CCOC(=O)c1c(NC(=O)c2nn3C(CC(Nc3c2Br)c4ccco4)C(F)(F)F)sc5CCCCc15 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 F11 compound treatment 0.26 0.0251 1.24 0.261 0.0219 1.13 1.6714 0.9989 1972228 ChemDiv1_003993 CCOc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccc3oc(nc3c2)c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 F12 compound treatment 0.288 0.0531 2.62 0.274 0.0349 1.8 3.1198 0.9832 1925345 ChemDiv1_003994 COc1ccc(cc1)C2CC(n3nc(C(=O)N4CCN(CC4)c5ccc(F)cc5)c(Cl)c3N2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 F13 compound treatment 0.319 0.0841 4.14 0.282 0.0429 2.21 4.4906 0.9566 1972229 ChemDiv1_003995 COc1cc(cc(OC)c1OC)c2cc(n3ncc(C(=O)NC4CCCCC4)c3n2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 F14 compound treatment 0.261 0.0261 1.29 0.259 0.0199 1.02 1.6334 0.9937 1929817 ChemDiv1_003996 COc1ccc(cc1OC)C2CC(n3nc(C(=O)NCCCN4CCOCC4)c(Cl)c3N2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 F15 compound treatment 0.261 0.0261 1.29 0.265 0.0259 1.33 1.8518 0.9998 1972230 ChemDiv1_003997 FC(F)(F)c1c2CCc3ccccc3-c2nc4c(Cl)c(nn14)C(=O)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 F16 compound treatment 0.27 0.0351 1.73 0.272 0.0329 1.69 2.4201 0.9999 1972231 ChemDiv1_003998 COc1ccc(NC(=O)c2nn3C(CC(Nc3c2Cl)c4ccc(OC)c(OC)c4)C(F)(F)F)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 F17 compound treatment 0.264 0.0291 1.43 0.269 0.0299 1.54 2.1019 0.9994 1931589 ChemDiv1_003999 FC(F)(F)C1CC(Nc2c(Br)c(nn12)C(=O)NCCCN3CCOCC3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 F18 compound treatment 0.285 0.0501 2.47 0.279 0.0399 2.05 3.1973 0.9958 1972232 ChemDiv1_004000 FC(F)(F)C1CC(Nc2cc(nn12)C(=O)N3CCN(Cc4ccccc4)CC3)c5ccc(Cl)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 F19 compound treatment 0.268 0.0331 1.63 0.263 0.0239 1.23 2.0228 0.9904 1972233 ChemDiv1_004001 COc1ccc(CNC(=O)c2nn3C(CC(Nc3c2Br)c4cccs4)C(F)(F)F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 F20 compound treatment 0.276 0.0411 2.02 0.275 0.0359 1.85 2.7382 0.999 1469829 ChemDiv1_004002 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)cc3)c(=O)n2C1c4ccc(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 F21 compound treatment 0.251 0.0161 0.79 0.254 0.0149 0.77 1.1031 0.9999 1972234 ChemDiv1_004003 FC(F)(F)C1CC(Nc2c(Cl)c(nn12)C(=O)N3CCN(Cc4ccccc4)CC3)c5cccs5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 F22 compound treatment 0.258 0.0231 1.14 0.258 0.0189 0.97 1.4925 0.997 1520971 ChemDiv1_004004 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OC)c(=O)n2C1c4ccc(OC(=O)C)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 F23 mock treatment 0.258 0.0231 1.14 0.254 0.0149 0.77 1.3469 0.9816 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 F24 mock treatment 0.21 -0.0249 -1.23 0.241 0.0019 0.1 -0.798 -0.6487 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 G01 compound treatment 0.237 0.0021 0.1 0.247 0.0079 0.41 0.3607 0.8596 1943454 ChemDiv1_004005 COc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccc(Cl)c(c2)c3nc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 G02 compound treatment 0.256 0.0211 1.04 0.255 0.0159 0.82 1.3136 0.993 1934980 ChemDiv1_004006 Cc1cc(C)n(n1)c2nc3nonc3nc2Nc4cccc(c4)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 G03 compound treatment 0.25 0.0151 0.74 0.253 0.0139 0.72 1.0319 0.9998 1946967 ChemDiv1_004007 CCOC(=O)CSc1nc2ccc(N)cc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 G04 compound treatment 0.255 0.0201 0.99 0.255 0.0159 0.82 1.2788 0.9955 1924638 ChemDiv1_004008 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(F)cc2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 G05 compound treatment 0.321 0.0861 4.24 0.314 0.0749 3.86 5.7251 0.9989 1972235 ChemDiv1_004009 COc1ccc(cc1)C2=NN3C(C2)c4ccccc4OC3c5cccc(c5)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 G06 compound treatment 0.257 0.0221 1.09 0.26 0.0209 1.08 1.5305 1.0 1972236 ChemDiv1_004010 CCOC(=O)c1c(C)c(sc1NC(=O)c2cccc(C)c2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 G07 compound treatment 0.278 0.0431 2.12 0.276 0.0369 1.9 2.8443 0.9985 1972237 ChemDiv1_004011 CCCOc1ccc(cc1)C2Oc3ccccc3C4CC(=NN42)c5cccc6ccccc56 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 G08 compound treatment 0.268 0.0331 1.63 0.262 0.0229 1.18 1.9864 0.9873 1972238 ChemDiv1_004012 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(C)c(c2)[N+](=O)[O-])C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 G09 compound treatment 0.275 0.0401 1.98 0.27 0.0309 1.59 2.5214 0.9942 1972239 ChemDiv1_004013 Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C3Oc4ccccc4C5CC(=NN53)c6ccc(Br)cc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 G10 compound treatment 0.342 0.107 5.27 0.325 0.0859 4.42 6.8569 0.9962 1972240 ChemDiv1_004014 O=C(Nc1nc2ccc3ccccc3c2o1)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 G11 compound treatment 0.285 0.0501 2.47 0.272 0.0329 1.69 2.9425 0.9831 1147755 ChemDiv1_004015 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc(Br)c(O)c(OC)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 G12 compound treatment 0.283 0.0481 2.37 0.279 0.0399 2.05 3.1276 0.9975 1692006 ChemDiv1_004016 COc1nc(NCc2ccccc2)nc(NCc3cccnc3)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 G13 compound treatment 0.282 0.0471 2.32 0.283 0.0439 2.26 3.2384 0.9999 1972241 ChemDiv1_004017 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cccc(c5)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 G14 compound treatment 0.273 0.0381 1.88 0.269 0.0299 1.54 2.4153 0.9952 1302123 ChemDiv1_004018 CCOC(=O)C1=C(C)NC2=C(C1c3cc(OC)c(OC)c(OC)c3)C(=O)CC(C2)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 G15 compound treatment 0.298 0.0631 3.11 0.291 0.0519 2.67 4.0869 0.9972 1445573 ChemDiv1_004019 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5coc6ccc(Cl)cc6c5=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 G16 compound treatment 0.326 0.0911 4.49 0.305 0.0659 3.39 5.5717 0.9905 1182604 ChemDiv1_004020 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccc(SC)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 G17 compound treatment 0.338 0.103 5.08 0.335 0.0959 4.94 7.0817 0.9999 1972242 ChemDiv1_004021 CCCOC(=O)c1cc(ccc1Cl)c2ccc(/C=C\3/C(=NN(C3=O)c4cccc(c4)C(=O)O)C)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 G18 compound treatment 0.279 0.0441 2.17 0.273 0.0339 1.75 2.7699 0.9941 1972243 ChemDiv1_004022 [O-][N+](=O)c1ccccc1C(=O)On2c(nc3ccccc3c2=O)c4ccccc4F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 G19 compound treatment 0.258 0.0231 1.14 0.255 0.0159 0.82 1.3833 0.9869 1972244 ChemDiv1_004023 CC/1=NN(C(=O)\C1=C/c2ccc(o2)c3ccc4C(=O)NC(=O)c4c3)c5cccc(c5)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 G20 compound treatment 0.29 0.0551 2.71 0.279 0.0399 2.05 3.3714 0.9906 1972245 ChemDiv1_004024 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)/C=C/c4cccc(Cl)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 G21 compound treatment 0.253 0.0181 0.89 0.254 0.0149 0.77 1.1728 0.9972 1972246 ChemDiv1_004025 COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1Oc3ccc(cc3C#N)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 G22 compound treatment 0.276 0.0411 2.02 0.264 0.0249 1.28 2.3378 0.9757 1229623 ChemDiv1_004026 COc1cc(cc(OC)c1OC)C(=O)Nc2nnc(CC(=O)NCc3ccccc3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 G23 mock treatment 0.25 0.0151 0.74 0.25 0.0109 0.56 0.9227 0.9904 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 G24 mock treatment 0.209 -0.0259 -1.28 0.229 -0.0101 -0.52 -1.2697 -0.9217 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 H01 compound treatment 0.313 0.0781 3.85 0.301 0.0619 3.19 4.9733 0.9956 1949048 ChemDiv1_004027 CC(C)(C)c1ccc(OCCOc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 H02 compound treatment 0.25 0.0151 0.74 0.253 0.0139 0.72 1.0319 0.9998 1972247 ChemDiv1_004028 CCOC(=O)c1c(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c4ccccc4)sc5CCCc15 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 H03 compound treatment 0.291 0.0561 2.76 0.291 0.0519 2.67 3.8431 0.9999 1972248 ChemDiv1_004029 CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCOc3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 H04 compound treatment 0.252 0.0171 0.84 0.248 0.0089 0.46 0.9195 0.9591 1972249 ChemDiv1_004030 COc1cc(cc(OC)c1OC)C2CC(n3ncc(C(=O)Nc4cc(Oc5ccc(F)cc5)cc(c4)[N+](=O)[O-])c3N2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 H05 compound treatment 0.273 0.0381 1.88 0.267 0.0279 1.44 2.3425 0.9913 1948839 ChemDiv1_004031 Cc1ccc(OCCOc2ccc(Br)cc2C=C3C(=O)NC(=S)NC3=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 H06 compound treatment 0.271 0.0361 1.78 0.263 0.0239 1.23 2.1273 0.9838 1929838 ChemDiv1_004032 COc1cc(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c4ccc(Br)cc4)cc(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 H07 compound treatment 0.256 0.0211 1.04 0.26 0.0209 1.08 1.4957 0.9998 1972250 ChemDiv1_004033 CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c3ccc(OC)cc3)ccc1OCCBr 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 H08 compound treatment 0.256 0.0211 1.04 0.255 0.0159 0.82 1.3136 0.993 1972251 ChemDiv1_004034 CC(C)OC(=O)c1c(NC(=O)c2cnn3C(CC(Nc23)c4ccc(Br)cc4)C(F)(F)F)sc5CCCCc15 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 H09 compound treatment 0.275 0.0401 1.98 0.271 0.0319 1.64 2.5578 0.9958 1346450 ChemDiv1_004035 OC1(C2CCc3ccccc3C2=O)C(=O)Nc4ccc(Br)cc41 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 H10 compound treatment 0.246 0.0111 0.55 0.253 0.0139 0.72 0.8926 0.9912 1972252 ChemDiv1_004036 FC(F)(F)C1CC(Nc2c(Br)c(nn12)C(=O)N3CCN(CC3)C(=O)c4ccccc4)c5ccco5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 H11 compound treatment 0.281 0.0461 2.27 0.262 0.0229 1.18 2.4391 0.9534 1972253 ChemDiv1_004037 COc1cc(NC(=O)c2nn3C(CC(Nc3c2Br)c4ccccc4)C(F)(F)F)cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 H12 compound treatment 0.281 0.0461 2.27 0.253 0.0139 0.72 2.1115 0.887 1925357 ChemDiv1_004038 COc1ccc(cc1)C2CC(n3nc(C(=O)Nc4c(C)n(C)n(c5ccccc5)c4=O)c(Cl)c3N2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 H13 compound treatment 0.273 0.0381 1.88 0.264 0.0249 1.28 2.2333 0.9827 1972254 ChemDiv1_004039 Cc1nn2c(cc(nc2c1C(=O)Nc3c(C)n(C)n(c4ccccc4)c3=O)c5ccc(Cl)cc5)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 H14 compound treatment 0.254 0.0191 0.94 0.253 0.0139 0.72 1.1712 0.9909 1972255 ChemDiv1_004040 COc1ccc(cc1OC)C2CC(n3nc(C(=O)Nc4cccnc4Cl)c(Cl)c3N2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 H15 compound treatment 0.253 0.0181 0.89 0.261 0.0219 1.13 1.4276 0.9932 1925262 ChemDiv1_004041 CCOC(=O)c1sc(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c4cccs4)c(C(=O)OCC)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 H16 compound treatment 0.25 0.0151 0.74 0.253 0.0139 0.72 1.0319 0.9998 1972256 ChemDiv1_004042 COc1ccc(cc1OC)C2CC(n3nc(C(=O)Nc4cccc(c4)C(C)O)c(Cl)c3N2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 H17 compound treatment 0.266 0.0311 1.53 0.265 0.0259 1.33 2.0259 0.9976 1972257 ChemDiv1_004043 Cc1ccc(O)c(NC(=O)c2nn3C(CC(Nc3c2Br)c4cccs4)C(F)(F)F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 H18 compound treatment 0.275 0.0401 1.98 0.275 0.0359 1.85 2.7034 0.9994 1930361 ChemDiv1_004044 COc1cc(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c4ccc(Cl)cc4)cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 H19 compound treatment 0.265 0.0301 1.48 0.26 0.0209 1.08 1.8091 0.9876 1929903 ChemDiv1_004045 FC(F)(F)C1CC(Nc2c(Br)c(nn12)C(=O)Nc3ccc4OCOc4c3)c5cccs5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 H20 compound treatment 0.265 0.0301 1.48 0.26 0.0209 1.08 1.8091 0.9876 1442665 ChemDiv1_004046 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OC(=O)C)c(=O)n2C1c4ccc(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 H21 compound treatment 0.246 0.0111 0.55 0.242 0.0029 0.15 0.4921 0.8684 1929948 ChemDiv1_004047 Cc1c(NC(=O)c2nn3C(CC(Nc3c2Cl)c4cccs4)C(F)(F)F)c(=O)n(c5ccccc5)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 H22 compound treatment 0.253 0.0181 0.89 0.252 0.0129 0.66 1.1 0.9895 1296152 ChemDiv1_004048 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C)cc3)c(=O)n2C1c4ccc(OC(=O)C)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 H23 mock treatment 0.255 0.0201 0.99 0.257 0.0179 0.92 1.3516 0.9994 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 H24 mock treatment 0.225 -0.0099 -0.49 0.24 9.0E-4 0.05 -0.312 -0.637 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 I01 compound treatment 0.227 -0.0079 -0.39 0.253 0.0139 0.72 0.2309 0.2834 1226264 ChemDiv1_004049 COc1ccc(cc1OC)C(=O)Nc2cc(ccc2C)c3nc4ccccc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 I02 compound treatment 0.254 0.0191 0.94 0.258 0.0189 0.97 1.3532 0.9999 1500171 ChemDiv1_004050 CCOC(=O)c1ccc(Nc2nc3nonc3nc2NC(C)C)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 I03 compound treatment 0.298 0.0631 3.11 0.285 0.0459 2.36 3.8685 0.9909 1972258 ChemDiv1_004051 Nc1ccc2nc(SCC(=O)c3ccc(Br)cc3)sc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 I04 compound treatment 0.256 0.0211 1.04 0.255 0.0159 0.82 1.3136 0.993 1924497 ChemDiv1_004052 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccco2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 I05 compound treatment 0.266 0.0311 1.53 0.26 0.0209 1.08 1.8439 0.9851 1972259 ChemDiv1_004053 Clc1ccc(cc1)C2=NN3C(C2)c4ccccc4OC3c5ccc(OCc6ccccc6)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 I06 compound treatment 0.27 0.0351 1.73 0.263 0.0239 1.23 2.0924 0.9861 1924502 ChemDiv1_004054 CCOC(=O)c1c(C)c(sc1NC(=O)Cc2ccccc2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 I07 compound treatment 0.279 0.0441 2.17 0.285 0.0459 2.36 3.2067 0.9991 1972260 ChemDiv1_004055 C(Oc1ccc(cc1)C2Oc3ccccc3C4CC(=NN42)c5cccc6ccccc56)c7ccccc7 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 I08 compound treatment 0.268 0.0331 1.63 0.264 0.0249 1.28 2.0592 0.9929 1972261 ChemDiv1_004056 CCOC(=O)c1c(C)c(sc1NC(=O)c2cccc(Cl)c2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 I09 compound treatment 0.26 0.0251 1.24 0.257 0.0179 0.92 1.5258 0.9895 1972262 ChemDiv1_004057 Brc1ccc(cc1)C(=O)Oc2ccc(cc2)C3Oc4ccccc4C5CC(=NN53)c6ccccc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 I10 compound treatment 0.335 0.1 4.93 0.329 0.0899 4.63 6.7588 0.9995 1972263 ChemDiv1_004058 O=C(Nc1nc2c(ccc3ccccc23)o1)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 I11 compound treatment 0.295 0.0601 2.96 0.302 0.0629 3.24 4.3828 0.999 1948838 ChemDiv1_004059 FC(F)(F)c1ccc(cc1)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc6OCOc6c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 I12 compound treatment 0.261 0.0261 1.29 0.266 0.0269 1.38 1.8882 0.9993 1636058 ChemDiv1_004060 COc1nc(NCc2cccnc2)nc(n1)N3CCSCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 I13 compound treatment 0.266 0.0311 1.53 0.27 0.0309 1.59 2.208 0.9998 1197458 ChemDiv1_004061 CCOc1cccc(c1)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc(OC)c(OC)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 I14 compound treatment 0.294 0.0591 2.91 0.292 0.0529 2.72 3.984 0.9994 1128810 ChemDiv1_004062 CCOc1cc(cc(Br)c1O)C2NC(=O)N(C)C(=C2C(=O)OCCc3ccccc3)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 I15 compound treatment 0.267 0.0321 1.58 0.27 0.0309 1.59 2.2428 1.0 1927336 ChemDiv1_004063 CC/1=NN(C(=O)\C1=C/c2ccc(o2)c3cc(ccc3C)[N+](=O)[O-])c4cccc(c4)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 I16 compound treatment 0.254 0.0191 0.94 0.259 0.0199 1.02 1.3896 0.9991 1122164 ChemDiv1_004064 CCOC(=O)c1c(C)c(sc1NC(=O)c2cccc(Cl)c2)C(=O)Nc3ccc(OC)cc3OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 I17 compound treatment 0.269 0.0341 1.68 0.264 0.0249 1.28 2.094 0.9911 1972264 ChemDiv1_004065 CCOC(=O)c1cccc(c1)c2ccc(/C=C\3/C(=NN(C3=O)c4cccc(c4)C(=O)O)C)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 I18 compound treatment 0.31 0.0751 3.7 0.31 0.0709 3.65 5.1964 1.0 1972265 ChemDiv1_004066 COc1cc(OC)cc(c1)c2nc3ccccc3c(=O)n2OC(=O)/C=C/c4ccccc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 I19 compound treatment 0.299 0.0641 3.16 0.303 0.0639 3.29 4.5585 0.9998 1946395 ChemDiv1_004067 NS(=O)(=O)c1ccc(cc1)c2ccc(/C=C/3\Sc4ccccc4C3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 I20 compound treatment 0.271 0.0361 1.78 0.247 0.0079 0.41 1.5448 0.847 1972266 ChemDiv1_004068 [O-][N+](=O)c1ccc(C(=O)Nn2c(nc3ccccc3c2=O)c4ccc(Br)cc4)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 I21 compound treatment 0.345 0.11 5.42 0.345 0.106 5.45 7.6895 1.0 1317134 ChemDiv1_004069 CC1CCN(CC1)c2nc3nonc3nc2Nc4cccc(C)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 I22 compound treatment 0.256 0.0211 1.04 0.257 0.0179 0.92 1.3865 0.9982 1599323 ChemDiv1_004070 Brc1ccc(OCc2nnc(NC(=O)C3(CC4CC5CC(C4)C3)C5)s2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 I23 mock treatment 0.256 0.0211 1.04 0.252 0.0129 0.66 1.2044 0.9766 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 I24 mock treatment 0.226 -0.0089 -0.44 0.241 0.0019 0.1 -0.2408 -0.5361 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 J01 compound treatment 0.23 -0.0049 -0.24 0.245 0.0059 0.3 0.0441 0.1137 1972267 ChemDiv1_004071 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc3ccc(cc3)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 J02 compound treatment 0.247 0.0121 0.6 0.25 0.0109 0.56 0.8182 0.9995 1972268 ChemDiv1_004072 CC(C)(C)C1CCc2c(C(=O)N)c(NC(=O)c3cc4NC(CC(n4n3)C(F)(F)F)c5ccco5)sc2C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 J03 compound treatment 0.266 0.0311 1.53 0.264 0.0249 1.28 1.9895 0.9961 1925364 ChemDiv1_004073 CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCCOc3ccccc3C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 J04 compound treatment 0.25 0.0151 0.74 0.25 0.0109 0.56 0.9227 0.9904 1972269 ChemDiv1_004074 CCOC(=O)c1c(NC(=O)c2cnn3C(CC(Nc23)c4ccc5OCOc5c4)C(F)(F)F)sc6CCCc16 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 J05 compound treatment 0.26 0.0251 1.24 0.26 0.0209 1.08 1.635 0.9976 1925297 ChemDiv1_004075 COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCCOc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 J06 compound treatment 0.271 0.0361 1.78 0.266 0.0269 1.38 2.2365 0.9924 1925323 ChemDiv1_004076 FC(F)(F)C1CC(Nc2c(cnn12)C(=O)Nc3ccc(Cl)c(Cl)c3)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 J07 compound treatment 0.256 0.0211 1.04 0.253 0.0139 0.72 1.2408 0.9834 1972270 ChemDiv1_004077 COc1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3ccc(OCCBr)cc3)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 J08 compound treatment 0.285 0.0501 2.47 0.284 0.0449 2.31 3.3793 0.9995 1972271 ChemDiv1_004078 CC(C)c1ccc(C)cc1Oc2cc(NC(=O)c3cnn4C(CC(Nc34)c5ccc(Br)cc5)C(F)(F)F)cc(c2)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 J09 compound treatment 0.28 0.0451 2.22 0.267 0.0279 1.44 2.5863 0.9777 1972272 ChemDiv1_004079 Cc1ccc(NC(=O)C(=O)NCCN2CCN(Cc3ccccc3F)CC2)cc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 J10 compound treatment 0.255 0.0201 0.99 0.257 0.0179 0.92 1.3516 0.9994 1929960 ChemDiv1_004080 FC(F)(F)C1CC(Nc2cc(nn12)C(=O)NCCCN3CCOCC3)c4ccc(Cl)c(Cl)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 J11 compound treatment 0.27 0.0351 1.73 0.269 0.0299 1.54 2.3109 0.9983 1923564 ChemDiv1_004081 Cc1c(Br)c(nn1CC(=O)Nc2cc(ccc2Cl)C(F)(F)F)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 J12 compound treatment 0.252 0.0171 0.84 0.26 0.0209 1.08 1.3564 0.9927 1924393 ChemDiv1_004082 Fc1ccc(cc1)C2CC(n3nc(C(=O)N4CCN(Cc5ccccc5)CC4)c(Cl)c3N2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 J13 compound treatment 0.321 0.0861 4.24 0.327 0.0879 4.53 6.1984 0.9995 1972273 ChemDiv1_004083 COc1ccc(cc1)c2cc(n3nc(C(=O)NCCCN4CCOCC4)c(Cl)c3n2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 J14 compound treatment 0.261 0.0261 1.29 0.258 0.0189 0.97 1.597 0.9906 1925358 ChemDiv1_004084 COc1ccc(cc1OC)C2CC(n3nc(C(=O)N4CCN(CC4)c5ccc(F)cc5)c(Cl)c3N2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 J15 compound treatment 0.264 0.0291 1.43 0.271 0.0319 1.64 2.1747 0.9977 1929792 ChemDiv1_004085 COc1ccc(cc1)C2CC(n3nc(C(=O)NCc4ccco4)c(Br)c3N2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 J16 compound treatment 0.266 0.0311 1.53 0.262 0.0229 1.18 1.9167 0.9916 1930421 ChemDiv1_004086 COc1ccc(cc1OC)C2CC(n3nc(C(=O)Nc4ccc(F)cc4F)c(Cl)c3N2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 J17 compound treatment 0.251 0.0161 0.79 0.251 0.0119 0.61 0.9939 0.9919 1972274 ChemDiv1_004087 CC(O)c1ccc(NC(=O)c2nn3C(CC(Nc3c2Br)c4cccs4)C(F)(F)F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 J18 compound treatment 0.271 0.0361 1.78 0.272 0.0329 1.69 2.4549 0.9997 1784167 ChemDiv1_004088 Cc1c(Cl)c(nn1CC(=O)Nc2ccc(Cl)cc2C(=O)c3ccccc3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 J19 compound treatment 0.302 0.0671 3.3 0.297 0.0579 2.98 4.4446 0.9987 1931606 ChemDiv1_004089 CSc1ccccc1NC(=O)c2nn3C(CC(Nc3c2Br)c4cccs4)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 J20 compound treatment 0.254 0.0191 0.94 0.253 0.0139 0.72 1.1712 0.9909 1416027 ChemDiv1_004090 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(C)c4ccccc34)c(=O)n2C1c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 J21 compound treatment 0.261 0.0261 1.29 0.26 0.0209 1.08 1.6698 0.9961 1930268 ChemDiv1_004091 COc1cc(NC(=O)c2nn3C(CC(Nc3c2Cl)c4cccs4)C(F)(F)F)cc(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 J22 compound treatment 0.252 0.0171 0.84 0.249 0.0099 0.51 0.9559 0.971 1505306 ChemDiv1_004092 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)cc3)c(=O)n2C1c4ccc(OC(=O)C)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 J23 mock treatment 0.248 0.0131 0.65 0.249 0.0099 0.51 0.8166 0.9932 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 J24 mock treatment 0.227 -0.0079 -0.39 0.241 0.0019 0.1 -0.206 -0.5134 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 K01 compound treatment 0.25 0.0151 0.74 0.248 0.0089 0.46 0.8499 0.9729 1445027 ChemDiv1_004093 CCOc1ccc(cc1)n2nc3ccc(NC(=O)c4ccc5OCCOc5c4)cc3n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 K02 compound treatment 0.274 0.0391 1.93 0.272 0.0329 1.69 2.5594 0.998 1431787 ChemDiv1_004094 CN1CCN(CC1)c2nc3nonc3nc2Nc4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 K03 compound treatment 0.257 0.0221 1.09 0.254 0.0149 0.77 1.3121 0.9853 1972275 ChemDiv1_004095 CCCCCCCCOc1ccc(cc1)C2Oc3ccccc3C4CC(=NN42)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 K04 compound treatment 0.254 0.0191 0.94 0.261 0.0219 1.13 1.4624 0.9959 1925666 ChemDiv1_004096 CCOC(=O)c1c(C)c(sc1NC(=O)Cc2ccc(OC)cc2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 K05 compound treatment 0.256 0.0211 1.04 0.261 0.0219 1.13 1.5321 0.9992 1972276 ChemDiv1_004097 COc1ccc(cc1)C2Oc3ccccc3C4CC(=NN42)c5ccc(Br)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 K06 compound treatment 0.26 0.0251 1.24 0.264 0.0249 1.28 1.7806 0.9998 1924471 ChemDiv1_004098 CCOC(=O)c1c(C)c(sc1NC(=O)CCc2ccccc2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 K07 compound treatment 0.298 0.0631 3.11 0.308 0.0689 3.55 4.7057 0.9978 1972277 ChemDiv1_004099 O=C(Oc1ccc(cc1)C2Oc3ccccc3C4CC(=NN42)c5ccccc5)c6ccccc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 K08 compound treatment 0.272 0.0371 1.83 0.279 0.0399 2.05 2.7445 0.9983 1374228 ChemDiv1_004100 COc1ccc(cc1)S(=O)(=O)CCc2nnc(NC(=O)c3ccc(OC)c(OC)c3)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 K09 compound treatment 0.257 0.0221 1.09 0.256 0.0169 0.87 1.3849 0.9938 1972278 ChemDiv1_004101 COc1ccc(cc1)C2=NN3C(C2)c4ccccc4OC3c5ccc(OC(=O)c6ccc(Br)cc6)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 K10 compound treatment 0.272 0.0371 1.83 0.276 0.0369 1.9 2.6353 0.9998 1972279 ChemDiv1_004102 CCN(CC)c1ccc(/C=C\2/Sc3c(ccc4ccccc34)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 K11 compound treatment 0.264 0.0291 1.43 0.268 0.0289 1.49 2.0655 0.9998 1655566 ChemDiv1_004103 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc(OC)c(OC)cc5OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 K12 compound treatment 0.265 0.0301 1.48 0.285 0.0459 2.36 2.7192 0.9748 1313445 ChemDiv1_004104 C(Nc1nc(NCc2ccccc2)nc(n1)N3CCOCC3)c4ccco4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 K13 compound treatment 0.265 0.0301 1.48 0.277 0.0379 1.95 2.4279 0.9908 1972280 ChemDiv1_004105 COC(=O)C1=C(C)NC2=C(C1c3cc(OC)c(OC)c(OC)c3)C(=O)CC(C2)c4ccc(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 K14 compound treatment 0.293 0.0581 2.86 0.307 0.0679 3.5 4.4952 0.9951 1972281 ChemDiv1_004106 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3cc4OCOc4cc3Cl)C(=O)OCCOc5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 K15 compound treatment 0.318 0.0831 4.09 0.332 0.0929 4.78 6.2759 0.997 1972282 ChemDiv1_004107 COc1ccc(c2ccc(/C=C\3/C(=NN(C3=O)c4ccc(cc4)S(=O)(=O)N)C)o2)c(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 K16 compound treatment 0.325 0.0901 4.44 0.332 0.0929 4.78 6.5197 0.9993 1536976 ChemDiv1_004108 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc(OC)c(OC)cc5Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 K17 compound treatment 0.498 0.263 12.96 0.498 0.259 13.33 18.5876 0.9999 1972283 ChemDiv1_004109 CC/1=NN(C(=O)\C1=C/c2ccc(o2)c3ccccc3C(=O)O)c4ccc(Cl)c(c4)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 K18 compound treatment 0.311 0.0761 3.75 0.316 0.0769 3.96 5.4497 0.9996 1166040 ChemDiv1_004110 COc1cc(OC)cc(c1)c2nc3ccccc3c(=O)n2OC(=O)C4CCC(CC4)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 K19 compound treatment 0.303 0.0681 3.35 0.31 0.0709 3.65 4.9526 0.9991 1972284 ChemDiv1_004111 CC/1=NN(C(=O)\C1=C/c2ccc(o2)c3ccc(C)cc3[N+](=O)[O-])c4ccc(cc4)S(=O)(=O)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 K20 compound treatment 0.31 0.0751 3.7 0.31 0.0709 3.65 5.1964 1.0 1972285 ChemDiv1_004112 [O-][N+](=O)c1ccc(CC(=O)Nn2c(nc3ccccc3c2=O)c4ccc(Br)cc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 K21 compound treatment 0.256 0.0211 1.04 0.252 0.0129 0.66 1.2044 0.9766 1291327 ChemDiv1_004113 COc1ccc(OC)c(Nc2nc3nonc3nc2N4CCCC(C)C4)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 K22 compound treatment 0.257 0.0221 1.09 0.254 0.0149 0.77 1.3121 0.9853 1972286 ChemDiv1_004114 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OS(=O)(=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 K23 mock treatment 0.25 0.0151 0.74 0.253 0.0139 0.72 1.0319 0.9998 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 K24 mock treatment 0.222 -0.0129 -0.64 0.241 0.0019 0.1 -0.3801 -0.5913 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 L01 compound treatment 0.237 0.0021 0.1 0.259 0.0199 1.02 0.7975 0.7746 1925377 ChemDiv1_004115 COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCOc3ccc(cc3)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 L02 compound treatment 0.254 0.0191 0.94 0.251 0.0119 0.61 1.0984 0.9784 1972287 ChemDiv1_004116 CCOC(=O)c1c(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c4ccco4)sc5CCCCCc15 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 L03 compound treatment 0.256 0.0211 1.04 0.258 0.0189 0.97 1.4229 0.9995 1972288 ChemDiv1_004117 COc1ccccc1OCCOc2c(Br)cc(C=C3C(=O)NC(=S)NC3=O)cc2OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 L04 compound treatment 0.254 0.0191 0.94 0.252 0.0129 0.66 1.1348 0.9855 1972289 ChemDiv1_004118 Cc1c(NC(=O)c2cnn3C(CC(Nc23)c4ccc5OCOc5c4)C(F)(F)F)c(=O)n(c6ccccc6)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 L05 compound treatment 0.271 0.0361 1.78 0.29 0.0509 2.62 3.1101 0.9822 1972290 ChemDiv1_004119 COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCCOc3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 L06 compound treatment 0.251 0.0161 0.79 0.258 0.0189 0.97 1.2487 0.9948 1972291 ChemDiv1_004120 FC(F)(F)C1CC(Nc2c(cnn12)C(=O)Nc3ccc(Br)cc3)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 L07 compound treatment 0.267 0.0321 1.58 0.265 0.0259 1.33 2.0608 0.9964 1948686 ChemDiv1_004121 [O-][N+](=O)c1ccc(OCCOc2ccccc2C=C3C(=O)NC(=S)NC3=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 L08 compound treatment 0.25 0.0151 0.74 0.251 0.0119 0.61 0.9591 0.9954 1972292 ChemDiv1_004122 CN1CCN(CC1)C(=O)c2nn3C(CC(Nc3c2Cl)c4ccc(Br)cc4)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 L09 compound treatment 0.308 0.0731 3.6 0.308 0.0689 3.55 5.054 1.0 1972293 ChemDiv1_004123 Cc1ccc(NC(=O)C(=O)NCCN2CCN(CC2)S(=O)(=O)c3ccc(F)cc3)cc1Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 L10 compound treatment 0.263 0.0281 1.38 0.261 0.0219 1.13 1.7759 0.9948 1931602 ChemDiv1_004124 FC(F)(F)C1CC(Nc2cc(nn12)C(=O)Nc3ccc4OCOc4c3)c5ccc(Cl)c(Cl)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 L11 compound treatment 0.259 0.0241 1.19 0.261 0.0219 1.13 1.6365 0.9997 1972294 ChemDiv1_004125 FC(F)(F)c1cc(nc2cc(nn12)C(=O)N3CCN(CC3)c4ccccc4)c5cccs5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 L12 compound treatment 0.256 0.0211 1.04 0.259 0.0199 1.02 1.4593 1.0 1972295 ChemDiv1_004126 FC(F)(F)C1CC(Nc2c(Cl)c(nn12)C(=O)NCCCN3CCOCC3)c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 L13 compound treatment 0.397 0.162 7.98 0.413 0.174 8.95 11.9758 0.9984 1928370 ChemDiv1_004127 COc1ccc(cc1)c2cc(n3nc(C(=O)NCCCn4ccnc4)c(Cl)c3n2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 L14 compound treatment 0.25 0.0151 0.74 0.252 0.0129 0.66 0.9955 0.9984 1929893 ChemDiv1_004128 COc1ccc(cc1OC)C2CC(n3nc(C(=O)N4CCN(CC4)c5ccccc5)c(Cl)c3N2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 L15 compound treatment 0.253 0.0181 0.89 0.25 0.0109 0.56 1.0272 0.9751 1972296 ChemDiv1_004129 FC(F)(F)C1CC(Nc2c(Cl)c(nn12)C(=O)N3CCN(Cc4ccccc4)CC3)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 L16 compound treatment 0.27 0.0351 1.73 0.278 0.0389 2.0 2.6385 0.9973 1925296 ChemDiv1_004130 COc1cc(NC(=O)c2nn3C(CC(Nc3c2Cl)c4ccc(OC)c(OC)c4)C(F)(F)F)cc(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 L17 compound treatment 0.272 0.0371 1.83 0.289 0.0499 2.57 3.1086 0.9861 1972297 ChemDiv1_004131 Fc1ccc(CNC(=O)c2nn3C(CC(Nc3c2Br)c4cccs4)C(F)(F)F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 L18 compound treatment 0.274 0.0391 1.93 0.285 0.0459 2.36 3.0326 0.9948 1948899 ChemDiv1_004132 Cc1c(Br)c(nn1CC(=O)Nc2ccc(Cl)cc2C(=O)c3ccccc3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 L19 compound treatment 0.269 0.0341 1.68 0.264 0.0249 1.28 2.094 0.9911 1972298 ChemDiv1_004133 CC(NC(=O)c1nn2C(CC(Nc2c1Br)c3cccs3)C(F)(F)F)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 L20 compound treatment 0.249 0.0141 0.69 0.249 0.0099 0.51 0.8514 0.9884 1286457 ChemDiv1_004134 CCOC(=O)C1=C(C)NC(=O)NC1c2cn(nc2c3ccc(OC)cc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 L21 compound treatment 0.254 0.0191 0.94 0.259 0.0199 1.02 1.3896 0.9991 1972299 ChemDiv1_004135 COc1ccc(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c4ccc(OC)c(OC)c4)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 L22 compound treatment 0.256 0.0211 1.04 0.255 0.0159 0.82 1.3136 0.993 1246789 ChemDiv1_004136 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OC(=O)C)c(=O)n2C1c4ccc(OC(=O)C)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 L23 mock treatment 0.254 0.0191 0.94 0.256 0.0169 0.87 1.2804 0.9992 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 L24 mock treatment 0.231 -0.0039 -0.19 0.247 0.0079 0.41 0.1518 0.3374 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 M01 compound treatment 0.238 0.0031 0.15 0.257 0.0179 0.92 0.7596 0.8132 1302769 ChemDiv1_004137 COc1nccnc1NS(=O)(=O)c2ccc(NC(=O)CSc3nc4ccccc4s3)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 M02 compound treatment 0.268 0.0331 1.63 0.27 0.0309 1.59 2.2776 0.9999 1427833 ChemDiv1_004138 Cc1ccc(Nc2nc3nonc3nc2Nc4ccc(O)cc4)cc1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 M03 compound treatment 0.253 0.0181 0.89 0.258 0.0189 0.97 1.3184 0.999 1972300 ChemDiv1_004139 C(Oc1ccc(cc1)C2Oc3ccccc3C4CC(=NN42)c5ccccc5)c6ccccc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 M04 compound treatment 0.255 0.0201 0.99 0.257 0.0179 0.92 1.3516 0.9994 1167434 ChemDiv1_004140 CCOc1cc(ccc1OC(=O)C)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 M05 compound treatment 0.255 0.0201 0.99 0.255 0.0159 0.82 1.2788 0.9955 1972301 ChemDiv1_004141 Brc1ccc(cc1)C2=NN3C(C2)c4ccccc4OC3c5ccc(OCc6ccccc6)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 M06 compound treatment 0.253 0.0181 0.89 0.26 0.0209 1.08 1.3912 0.9956 1972302 ChemDiv1_004142 CCOC(=O)c1c(C)c(sc1NC(=O)COc2ccc(Cl)cc2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 M07 compound treatment 0.256 0.0211 1.04 0.253 0.0139 0.72 1.2408 0.9834 1972303 ChemDiv1_004143 Cc1ccc(cc1)C2=NN3C(C2)c4ccccc4OC3c5ccc(OC(=O)c6ccccc6)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 M08 compound treatment 0.265 0.0301 1.48 0.271 0.0319 1.64 2.2095 0.9987 1508655 ChemDiv1_004144 COc1ccc(cc1)S(=O)(=O)CCc2nnc(NC(=O)c3ccc(cc3)C(C)(C)C)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 M09 compound treatment 0.26 0.0251 1.24 0.275 0.0359 1.85 2.181 0.9809 1972304 ChemDiv1_004145 Clc1ccc(cc1)C2=NN3C(C2)c4ccccc4OC3c5ccc(OC(=O)c6ccc(Br)cc6)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 M10 compound treatment 0.256 0.0211 1.04 0.255 0.0159 0.82 1.3136 0.993 1254762 ChemDiv1_004146 COc1ccc(Cl)cc1C(=O)Nc2ccc(c3nc4cc(Cl)ccc4o3)c(O)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 M11 compound treatment 0.304 0.0691 3.4 0.299 0.0599 3.08 4.587 0.9988 1151136 ChemDiv1_004147 CCOc1cc(cc(Br)c1O)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc(OC)c(OC)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 M12 compound treatment 0.253 0.0181 0.89 0.254 0.0149 0.77 1.1728 0.9972 1438925 ChemDiv1_004148 C(Nc1nc(nc(n1)N2CCOCC2)N3CCCCC3)c4ccco4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 M13 compound treatment 0.273 0.0381 1.88 0.28 0.0409 2.11 2.8158 0.9984 1232338 ChemDiv1_004149 COC(=O)C1=C(C)NC2=C(C1c3ccc(OC)c(OC)c3)C(=O)CC(C2)c4ccc(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 M14 compound treatment 0.272 0.0371 1.83 0.271 0.0319 1.64 2.4533 0.9986 1972305 ChemDiv1_004150 COC(=O)C1=C(C)NC2=C(C1c3ccc(OC)c(COc4c(F)c(F)c(F)c(F)c4F)c3)C(=O)CCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 M15 compound treatment 0.257 0.0221 1.09 0.254 0.0149 0.77 1.3121 0.9853 1972306 ChemDiv1_004151 CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Cl)c1OCc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 M16 compound treatment 0.256 0.0211 1.04 0.257 0.0179 0.92 1.3865 0.9982 1344009 ChemDiv1_004152 CCOC(=O)c1c(C)c(sc1NC(=O)Cc2ccc(Cl)cc2)C(=O)Nc3ccc(OC)cc3OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 M17 compound treatment 0.263 0.0281 1.38 0.265 0.0259 1.33 1.9215 0.9998 1948909 ChemDiv1_004153 CCOc1c(Br)cc(/C=C\2/N=C(\OC2=O)/C=C/c3ccccc3)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 M18 compound treatment 0.279 0.0441 2.17 0.278 0.0389 2.0 2.9519 0.9992 1972307 ChemDiv1_004154 Cc1c(Br)c(nn1CC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 M19 compound treatment 0.263 0.0281 1.38 0.258 0.0189 0.97 1.6666 0.9851 1292810 ChemDiv1_004155 Cn1cnnc1Sc2nc3n(C)c(=O)n(C)c(=O)c3n2Cc4ccc(Cl)cc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 M20 compound treatment 0.322 0.0871 4.29 0.301 0.0619 3.19 5.2867 0.9893 1972308 ChemDiv1_004156 CCCCOc1ccc(cc1)C(=O)On2c(nc3ccccc3c2=O)c4cc(OC)cc(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 M21 compound treatment 0.316 0.0811 3.99 0.307 0.0679 3.5 5.2962 0.9978 1283174 ChemDiv1_004157 Fc1ccc(Nc2nc3nonc3nc2N4CCC(Cc5ccccc5)CC4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 M22 compound treatment 0.259 0.0241 1.19 0.255 0.0159 0.82 1.4181 0.9835 1972309 ChemDiv1_004158 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OS(=O)(=O)c3ccccc3[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 M23 mock treatment 0.251 0.0161 0.79 0.247 0.0079 0.41 0.8483 0.9519 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 M24 mock treatment 0.222 -0.0129 -0.64 0.238 -0.0011 -0.06 -0.4893 -0.7671 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 N01 compound treatment 0.225 -0.0099 -0.49 0.243 0.0039 0.2 -0.2028 -0.3846 1948965 ChemDiv1_004159 COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OS(=O)(=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 N02 compound treatment 0.252 0.0171 0.84 0.251 0.0119 0.61 1.0287 0.9878 1972310 ChemDiv1_004160 CC(C)OC(=O)c1c(C)c(C)sc1NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 N03 compound treatment 0.262 0.0271 1.33 0.261 0.0219 1.13 1.741 0.9965 1948752 ChemDiv1_004161 CC(C)(C)c1ccc(OCCOc2cccc(C=C3C(=O)NC(=S)NC3=O)c2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 N04 compound treatment 0.254 0.0191 0.94 0.254 0.0149 0.77 1.2076 0.9949 1924389 ChemDiv1_004162 FC(F)(F)C1CC(Nc2c(cnn12)C(=O)N3CCN(CC3)C(c4ccccc4)c5ccccc5)c6ccc7OCOc7c6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 N05 compound treatment 0.261 0.0261 1.29 0.266 0.0269 1.38 1.8882 0.9993 1972311 ChemDiv1_004163 COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCCOc3ccc(C)c(C)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 N06 compound treatment 0.258 0.0231 1.14 0.26 0.0209 1.08 1.5653 0.9996 1972312 ChemDiv1_004164 FC(F)(F)C1CC(Nc2c(cnn12)C(=O)N3CCN(CC3)C(c4ccccc4)c5ccccc5)c6ccc(Br)cc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 N07 compound treatment 0.249 0.0141 0.69 0.253 0.0139 0.72 0.9971 0.9999 1972313 ChemDiv1_004165 COc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccccc3OCCBr)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 N08 compound treatment 0.251 0.0161 0.79 0.258 0.0189 0.97 1.2487 0.9948 1972314 ChemDiv1_004166 FC(F)(F)C1CC(Nc2c(Cl)c(nn12)C(=O)NCCN3CCOCC3)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 N09 compound treatment 0.251 0.0161 0.79 0.25 0.0109 0.56 0.9575 0.9857 1972315 ChemDiv1_004167 CCOc1ccc(NC(=O)C(=O)NCCN2CCN(Cc3ccc(F)cc3)CC2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 N10 compound treatment 0.244 0.0091 0.45 0.247 0.0079 0.41 0.6045 0.9988 1925256 ChemDiv1_004168 Cc1c(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c4ccc(Cl)c(Cl)c4)c(=O)n(c5ccccc5)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 N11 compound treatment 0.274 0.0391 1.93 0.275 0.0359 1.85 2.6686 0.9998 1972316 ChemDiv1_004169 FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)Nc3ccncc3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 N12 compound treatment 0.247 0.0121 0.6 0.244 0.0049 0.25 0.5998 0.9268 1925303 ChemDiv1_004170 Cc1c(NC(=O)c2nn3C(CC(Nc3c2Cl)c4ccc(Cl)cc4)C(F)(F)F)c(=O)n(c5ccccc5)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 N13 compound treatment 0.26 0.0251 1.24 0.261 0.0219 1.13 1.6714 0.9989 1972317 ChemDiv1_004171 Fc1ccc(cc1)c2cc(n3nc(C(=O)NCc4cccnc4)c(Cl)c3n2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 N14 compound treatment 0.255 0.0201 0.99 0.257 0.0179 0.92 1.3516 0.9994 1930128 ChemDiv1_004172 COc1ccc(cc1OC)C2CC(n3nc(C(=O)NCCc4ccccc4)c(Cl)c3N2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 N15 compound treatment 0.25 0.0151 0.74 0.261 0.0219 1.13 1.3231 0.9796 1972318 ChemDiv1_004173 FC(F)(F)C1CC(Nc2c(Br)c(nn12)C(=O)NCCN3CCOCC3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 N16 compound treatment 0.248 0.0131 0.65 0.276 0.0369 1.9 1.7995 0.8969 1925242 ChemDiv1_004174 COc1ccc(cc1OC)C2CC(n3nc(C(=O)N4CCN(CC4)C(=O)c5ccccc5)c(Cl)c3N2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 N17 compound treatment 0.273 0.0381 1.88 0.278 0.0389 2.0 2.743 0.9995 1930437 ChemDiv1_004175 COc1ccc(NC(=O)c2nn3C(CC(Nc3c2Br)c4cccs4)C(F)(F)F)c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 N18 compound treatment 0.248 0.0131 0.65 0.252 0.0129 0.66 0.9258 0.9999 1784170 ChemDiv1_004176 [O-][N+](=O)c1ncn(CC(=O)Nc2ccc(Cl)cc2C(=O)c3ccccc3)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 N19 compound treatment 0.299 0.0641 3.16 0.287 0.0479 2.47 3.9761 0.9925 1931586 ChemDiv1_004177 FC(F)(F)C1CC(Nc2c(Br)c(nn12)C(=O)N3CCCc4ccccc34)c5cccs5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 N20 compound treatment 0.257 0.0221 1.09 0.255 0.0159 0.82 1.3485 0.9901 1506316 ChemDiv1_004178 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3Cl)c(=O)n2C1c4ccc(OC(=O)C)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 N21 compound treatment 0.252 0.0171 0.84 0.25 0.0109 0.56 0.9923 0.9805 1935617 ChemDiv1_004179 COc1ccc(cc1)C2CC(n3nc(cc3N2)C(=O)N4CCN(Cc5ccccc5)CC4)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 N22 compound treatment 0.25 0.0151 0.74 0.251 0.0119 0.61 0.9591 0.9954 1523266 ChemDiv1_004180 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC)c4ccccc34)c(=O)n2C1c5ccc(Cl)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 N23 mock treatment 0.255 0.0201 0.99 0.249 0.0099 0.51 1.0604 0.9523 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 N24 mock treatment 0.231 -0.0039 -0.19 0.219 -0.0201 -1.03 -0.8675 -0.8243 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 O01 compound treatment 0.248 0.0131 0.65 0.261 0.0219 1.13 1.2534 0.9649 1650522 ChemDiv1_004181 COc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4ccccc4s3)cc2)nc(OC)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 O02 compound treatment 0.251 0.0161 0.79 0.244 0.0049 0.25 0.7391 0.8882 1539968 ChemDiv1_004182 COc1ccccc1Nc2nc3nonc3nc2N4CCCCC4C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 O03 compound treatment 0.252 0.0171 0.84 0.244 0.0049 0.25 0.7739 0.8803 1972319 ChemDiv1_004183 CCCCCOc1ccc(cc1)C2Oc3ccccc3C4CC(=NN42)c5ccc(C)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 O04 compound treatment 0.25 0.0151 0.74 0.245 0.0059 0.3 0.7407 0.922 1924458 ChemDiv1_004184 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Cl)cc2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 O05 compound treatment 0.249 0.0141 0.69 0.251 0.0119 0.61 0.9242 0.998 1972320 ChemDiv1_004185 CC(C)c1ccc(cc1)C2Oc3ccccc3C4CC(=NN42)c5ccc(Br)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 O06 compound treatment 0.251 0.0161 0.79 0.247 0.0079 0.41 0.8483 0.9519 1972321 ChemDiv1_004186 CCOC(=O)c1c(C)c(sc1NC(=O)C2(CC3CC4CC(C3)C2)C4)C(=O)Nc5cc(ccc5Cl)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 O07 compound treatment 0.245 0.0101 0.5 0.252 0.0129 0.66 0.8213 0.9899 1972322 ChemDiv1_004187 Clc1ccc(cc1)C2=NN3C(C2)c4ccccc4OC3c5ccc(OC(=O)c6ccccc6)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 O08 compound treatment 0.254 0.0191 0.94 0.254 0.0149 0.77 1.2076 0.9949 1364382 ChemDiv1_004188 CC(=O)Nc1ccc(cc1)c2nc(c3ccccc3)c4cc(C)ccc4n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 O09 compound treatment 0.251 0.0161 0.79 0.249 0.0099 0.51 0.9211 0.9772 1972323 ChemDiv1_004189 Brc1ccc(cc1)C(=O)Oc2ccc(cc2)C3Oc4ccccc4C5CC(=NN53)c6ccc(Br)cc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 O10 compound treatment 0.248 0.0131 0.65 0.245 0.0059 0.3 0.671 0.9409 1387498 ChemDiv1_004190 CCN(CC)c1ccc(cc1)c2nc3cc(NC(=O)c4ccc(OC)c(OC)c4)ccc3o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 O11 compound treatment 0.248 0.0131 0.65 0.247 0.0079 0.41 0.7438 0.9752 1681030 ChemDiv1_004191 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc6OCOc6cc5Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 O12 compound treatment 0.252 0.0171 0.84 0.251 0.0119 0.61 1.0287 0.9878 1972324 ChemDiv1_004192 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cc(OC)c(OC)cc3Br)C(=O)CCC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 O13 compound treatment 0.258 0.0231 1.14 0.268 0.0289 1.49 1.8565 0.9912 1156745 ChemDiv1_004193 COc1cc(cc(OC)c1O)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc6OCOc6c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 O14 compound treatment 0.262 0.0271 1.33 0.259 0.0199 1.02 1.6682 0.9915 1738244 ChemDiv1_004194 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccc6OCOc6c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 O15 compound treatment 0.28 0.0451 2.22 0.281 0.0419 2.16 3.096 0.9999 1927357 ChemDiv1_004195 COc1cc(/C=C\2/C(=NN(C2=O)c3ccc(cc3)S(=O)(=O)N)C)cc(Br)c1OCc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 O16 compound treatment 0.286 0.0511 2.52 0.288 0.0489 2.52 3.5597 1.0 1924618 ChemDiv1_004196 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccc(O)c(c5)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 O17 compound treatment 0.257 0.0221 1.09 0.249 0.0099 0.51 1.1301 0.9402 1186943 ChemDiv1_004197 Cn1c(SCc2ccccn2)nc3n(C)c(=O)n(C)c(=O)c13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 O18 compound treatment 0.264 0.0291 1.43 0.247 0.0079 0.41 1.301 0.8733 1632083 ChemDiv1_004198 COc1cccc(c1)c2nc3ccccc3c(=O)n2NC(=O)c4cc(OC)ccc4Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 O19 compound treatment 0.244 0.0091 0.45 0.243 0.0039 0.2 0.4589 0.9344 1972325 ChemDiv1_004199 Cc1cc([N+](=O)[O-])c(cc1Cl)c2ccc(C=c3sc4nc5cc(C)c(C)cc5n4c3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 O20 compound treatment 0.25 0.0151 0.74 0.242 0.0029 0.15 0.6315 0.8324 1972326 ChemDiv1_004200 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)Cn4nc(C)c([N+](=O)[O-])c4C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 O21 compound treatment 0.252 0.0171 0.84 0.244 0.0049 0.25 0.7739 0.8803 1532775 ChemDiv1_004201 Clc1ccc(Sc2ccccc2C=c3sc4nc5ccccc5n4c3=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 O22 compound treatment 0.252 0.0171 0.84 0.244 0.0049 0.25 0.7739 0.8803 1972327 ChemDiv1_004202 COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OS(=O)(=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 O23 mock treatment 0.248 0.0131 0.65 0.243 0.0039 0.2 0.5982 0.8853 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 O24 mock treatment 0.221 -0.0139 -0.68 0.199 -0.0401 -2.06 -1.9438 -0.8937 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 P01 compound treatment 0.186 -0.0489 -2.41 0.2 -0.0391 -2.01 -3.1264 -0.996 1948343 ChemDiv1_004203 CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCOc3ccccc3C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 P02 compound treatment 0.226 -0.0089 -0.44 0.222 -0.0171 -0.88 -0.9324 -0.9482 1972328 ChemDiv1_004204 COc1ccc(cc1)C2CC(n3ncc(C(=O)Nc4sc5CCCCc5c4C(=O)OC(C)C)c3N2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 P03 compound treatment 0.231 -0.0039 -0.19 0.234 -0.0051 -0.26 -0.3215 -0.9882 1949120 ChemDiv1_004205 CC(C)(C)c1ccc(OCCOc2ccccc2C=C3C(=O)NC(=O)NC3=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 P04 compound treatment 0.238 0.0031 0.15 0.243 0.0039 0.2 0.2499 0.9909 1972329 ChemDiv1_004206 FC(F)(F)C1CC(Nc2c(cnn12)C(=O)N(Cc3ccccc3)Cc4ccccc4)c5ccc6OCOc6c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 P05 compound treatment 0.239 0.0041 0.2 0.237 -0.0021 -0.11 0.0663 0.2896 1972330 ChemDiv1_004207 COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCCOc3cccc(C)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 P06 compound treatment 0.209 -0.0259 -1.28 0.2 -0.0391 -2.01 -2.3254 -0.9758 1972331 ChemDiv1_004208 CCOC(=O)c1c(NC(=O)c2cnn3C(CC(Nc23)c4ccc(Br)cc4)C(F)(F)F)sc5CCCCc15 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 P07 compound treatment 0.255 0.0201 0.99 0.265 0.0259 1.33 1.6428 0.9893 1949010 ChemDiv1_004209 CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCOCCOc3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 P08 compound treatment 0.205 -0.0299 -1.47 0.208 -0.0311 -1.6 -2.1734 -0.9991 1929910 ChemDiv1_004210 Cc1cc(NC(=O)c2nn3C(CC(Nc3c2Cl)c4ccc(Br)cc4)C(F)(F)F)no1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 P09 compound treatment 0.215 -0.0199 -0.98 0.212 -0.0271 -1.4 -1.6796 -0.9851 1972332 ChemDiv1_004211 Fc1ccc(NC(=O)C(=O)NCCN2CCN(CC2)C(=O)c3ccccc3F)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 P10 compound treatment 0.212 -0.0229 -1.13 0.207 -0.0321 -1.65 -1.9661 -0.9827 1972333 ChemDiv1_004212 Cc1c(NC(=O)c2nn3C(CC(Nc3c2Cl)c4ccco4)C(F)(F)F)c(=O)n(c5ccccc5)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 P11 compound treatment 0.214 -0.0209 -1.03 0.206 -0.0331 -1.7 -1.9328 -0.9709 1778417 ChemDiv1_004213 Cc1cc(nc2cc(nn12)C(=O)Nc3cc(Oc4ccc(O)cc4)cc(c3)[N+](=O)[O-])c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 P12 compound treatment 0.206 -0.0289 -1.42 0.228 -0.0111 -0.57 -1.4106 -0.9196 1930318 ChemDiv1_004214 Cc1c(NC(=O)c2nn3C(CC(Nc3c2Cl)c4ccc(C)cc4)C(F)(F)F)c(=O)n(c5ccccc5)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 P13 compound treatment 0.199 -0.0359 -1.77 0.202 -0.0371 -1.91 -2.6008 -0.9993 1972334 ChemDiv1_004215 Fc1ccc(cc1)c2cc(n3nc(C(=O)Nc4cccnc4)c(Cl)c3n2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 P14 compound treatment 0.219 -0.0159 -0.78 0.221 -0.0181 -0.93 -1.2126 -0.9963 1972335 ChemDiv1_004216 COc1ccc(cc1OC)C2CC(n3nc(C(=O)NCCCn4ccnc4)c(Cl)c3N2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 P15 compound treatment 0.22 -0.0149 -0.73 0.196 -0.0431 -2.22 -2.0879 -0.8934 1972336 ChemDiv1_004217 [O-][N+](=O)c1cc(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c4cccs4)cc(Oc5ccccc5)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 P16 compound treatment 0.216 -0.0189 -0.93 0.222 -0.0171 -0.88 -1.2807 -0.9996 1972337 ChemDiv1_004218 Cc1ccc(cc1)C2CC(n3ncc(C(=O)N4CCN(CC4)C(c5ccccc5)c6ccccc6)c3N2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 P17 compound treatment 0.218 -0.0169 -0.83 0.195 -0.0441 -2.27 -2.1939 -0.9073 1972338 ChemDiv1_004219 FC(F)(F)C1CC(Nc2c(Br)c(nn12)C(=O)NCc3ccc(Cl)cc3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 P18 compound treatment 0.243 0.0081 0.4 0.246 0.0069 0.36 0.5333 0.9983 1972339 ChemDiv1_004220 OC(c1ccccc1)c2cc(Cl)ccc2NC(=O)c3cnn4C(CC(Nc34)c5cccs5)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 P19 compound treatment 0.294 0.0591 2.91 0.289 0.0499 2.57 3.8748 0.9981 1931476 ChemDiv1_004221 FC(F)(F)C1CC(Nc2c(Br)c(nn12)C(=O)NCCc3ccccc3)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 P20 compound treatment 0.204 -0.0309 -1.52 0.212 -0.0271 -1.4 -2.0627 -0.9991 1410172 ChemDiv1_004222 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2C1c4ccc(OC(=O)C)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 P21 compound treatment 0.221 -0.0139 -0.68 0.227 -0.0121 -0.62 -0.9246 -0.9989 1972340 ChemDiv1_004223 COc1ccc(cc1)C2CC(n3ncc(C(=O)N4CCN(CC4)C(c5ccccc5)c6ccccc6)c3N2)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 P22 compound treatment 0.222 -0.0129 -0.64 0.209 -0.0301 -1.55 -1.545 -0.9225 1972341 ChemDiv1_004224 COCCOC(=O)C1=C(C)NC(=C(C1c2cn(nc2c3ccccc3)c4ccccc4)C(=O)OCCOC)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 P23 mock treatment 0.192 -0.0429 -2.11 0.214 -0.0251 -1.29 -2.4078 -0.9722 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.598 P24 mock treatment 0.212 -0.0229 -1.13 0.205 -0.0341 -1.76 -2.0389 -0.9771 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 A01 compound treatment 0.178 -0.0626 -3.08 0.189 -0.0452 -2.33 -3.8239 -0.9904 1972342 ChemDiv1_004225 CCOc1ccc(OCCSc2nc3ccccc3n2CC(=O)N)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 A02 compound treatment 0.195 -0.0456 -2.24 0.197 -0.0372 -1.91 -2.9407 -0.9969 1972343 ChemDiv1_004226 CCOC(=O)COc1ccc2c(=O)c(c3ccccc3OC)c(oc2c1)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 A03 compound treatment 0.207 -0.0336 -1.65 0.201 -0.0332 -1.71 -2.3771 -0.9999 1949172 ChemDiv1_004227 COc1ccc(cc1OC)c2nc3cc(NC(=O)c4ccc(cc4Cl)[N+](=O)[O-])ccc3o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 A04 compound treatment 0.215 -0.0256 -1.26 0.212 -0.0222 -1.14 -1.6981 -0.9988 1972344 ChemDiv1_004228 Fc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)/N(C2=O)c4ccccc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 A05 compound treatment 0.224 -0.0166 -0.82 0.222 -0.0122 -0.63 -1.0206 -0.9916 1972345 ChemDiv1_004229 COc1cc(/C=C\2/SC(=S)N(C2=O)c3cccc(c3)C(F)(F)F)ccc1OCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 A06 compound treatment 0.222 -0.0186 -0.91 0.212 -0.0222 -1.14 -1.4543 -0.9939 1357656 ChemDiv1_004230 OC(=O)CC(Nc1nc(nc2ccccc12)c3ccccc3)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 A07 compound treatment 0.212 -0.0286 -1.41 0.224 -0.0102 -0.52 -1.3657 -0.9095 1972346 ChemDiv1_004231 Clc1ccccc1COc2cccc(/C=C\3/C(=O)NC(=O)N(CC=C)C3=O)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 A08 compound treatment 0.205 -0.0356 -1.75 0.224 -0.0102 -0.52 -1.6095 -0.8802 1944693 ChemDiv1_004232 Clc1cccc(NC(=O)CC2S/C(=N\c3ccccc3)/N(C2=O)c4ccccc4)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 A09 compound treatment 0.31 0.0694 3.42 0.293 0.0588 3.03 4.5591 0.9982 1972347 ChemDiv1_004233 COc1cc(/C=C\2/S/C(=N/c3ccccc3)/NC2=O)cc(OC)c1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 A10 compound treatment 0.249 0.00843 0.42 0.255 0.0208 1.07 1.0513 0.9149 1950933 ChemDiv1_004234 CN(C)CCOC(=O)CN1C(=O)S/C(=C/c2ccc(Br)cc2)/C1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 A11 compound treatment 0.235 -0.00557 -0.27 0.245 0.0108 0.56 0.1997 0.3219 1972348 ChemDiv1_004235 COc1cc(/C=C\2/S/C(=N/c3ccccc3)/NC2=O)cc(Cl)c1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 A12 compound treatment 0.212 -0.0286 -1.41 0.226 -0.00819 -0.42 -1.2929 -0.8803 1972349 ChemDiv1_004236 CCOC(=O)c1c(N/C=C\2/Sc3ccccc3C2=O)scc1c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 A13 compound treatment 0.226 -0.0146 -0.72 0.218 -0.0162 -0.83 -1.0966 -0.9972 1972350 ChemDiv1_004237 OC(=O)COc1cccc(/C=C\2/S/C(=N/c3ccccc3)/NC2=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 A14 compound treatment 0.209 -0.0316 -1.55 0.227 -0.00719 -0.37 -1.361 -0.8516 1972351 ChemDiv1_004238 CC(=O)c1ccc(N/C(=C\2/Sc3ccccc3C2=O)/C)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 A15 compound treatment 0.227 -0.0136 -0.67 0.19 -0.0442 -2.27 -2.081 -0.8777 1972352 ChemDiv1_004239 COc1cc(/C=C\2/NC(=S)NC2=O)ccc1OCc3ccc(cc3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 A16 compound treatment 0.332 0.0914 4.5 0.312 0.0778 4.01 6.0169 0.9983 1972353 ChemDiv1_004240 CCC(=O)N(/C=C/1\Sc2ccccc2C1=O)c3cccc(C)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 A17 compound treatment 0.232 -0.00857 -0.42 0.225 -0.00919 -0.47 -0.6328 -0.9984 1972354 ChemDiv1_004241 Clc1ccccc1/N=C/2\NC(=O)\C(=C/c3cc4OCOc4cc3Cl)\S2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 A18 compound treatment 0.349 0.108 5.34 0.342 0.108 5.55 7.701 0.9998 1972355 ChemDiv1_004242 [O-][N+](=O)c1ccc(cc1)N(/C=C/2\Sc3ccccc3C2=O)C(=O)c4ccco4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 A19 compound treatment 0.196 -0.0446 -2.2 0.223 -0.0112 -0.58 -1.9594 -0.8634 1562080 ChemDiv1_004243 COc1cc(C=c2sc3nc4ccccc4n3c2=O)ccc1OCc5c(F)cccc5Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 A20 compound treatment 0.212 -0.0286 -1.41 0.21 -0.0242 -1.25 -1.8754 -0.9981 1972356 ChemDiv1_004244 Brc1ccc(cc1)c2nc3sc4CCCc4c3c(=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 A21 compound treatment 0.215 -0.0256 -1.26 0.213 -0.0212 -1.09 -1.6617 -0.9974 1972357 ChemDiv1_004245 Cc1nc(SCC(=O)NC2CCCCC2)c3c4CCCCc4sc3n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 A22 compound treatment 0.237 -0.00357 -0.18 0.206 -0.0282 -1.45 -1.1503 -0.787 1972358 ChemDiv1_004246 CC(C)c1nc2sc(C)c(C)c2c(=O)o1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 A23 mock treatment 0.217 -0.0236 -1.16 0.204 -0.0302 -1.55 -1.9197 -0.9897 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 A24 mock treatment 0.18 -0.0606 -2.98 0.205 -0.0292 -1.5 -3.1718 -0.9496 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 B01 compound treatment 0.21 -0.0306 -1.51 0.211 -0.0232 -1.19 -1.9086 -0.9934 1364506 ChemDiv1_004247 CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccccc3Br)cc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 B02 compound treatment 0.315 0.0744 3.67 0.31 0.0758 3.9 5.352 0.9995 1972359 ChemDiv1_004248 COc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(Cl)cc3)cc([N+](=O)[O-])c1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 B03 compound treatment 0.259 0.0184 0.91 0.261 0.0268 1.38 1.618 0.9793 1972360 ChemDiv1_004249 CCOC(=O)c1c(N/C=C\2/N=C(OC2=O)c3ccco3)scc1c4ccc(C)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 B04 compound treatment 0.258 0.0174 0.86 0.254 0.0198 1.02 1.3284 0.9963 1972361 ChemDiv1_004250 Cc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3cc4OCOc4cc3Br)/C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 B05 compound treatment 0.27 0.0294 1.45 0.263 0.0288 1.48 2.0739 0.9999 1972362 ChemDiv1_004251 Cc1cc2c(=O)n(c3ccccc3)c(=S)[nH]c2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 B06 compound treatment 0.255 0.0144 0.71 0.255 0.0208 1.07 1.2603 0.9801 1136653 ChemDiv1_004252 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(O)c3)c(=O)n2C1c4ccc(SC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 B07 compound treatment 0.254 0.0134 0.66 0.252 0.0178 0.92 1.1163 0.9872 1728289 ChemDiv1_004253 Cn1c(=O)n(C)c2nc(NC3CCCCC3)n(Cc4ccccc4Br)c2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 B08 compound treatment 0.26 0.0194 0.96 0.262 0.0278 1.43 1.6892 0.9808 1393024 ChemDiv1_004254 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3)c(=O)n2C1c4cc(OC)ccc4OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 B09 compound treatment 0.26 0.0194 0.96 0.256 0.0218 1.12 1.4708 0.9968 1550025 ChemDiv1_004255 Cn1c(=O)n(C)c2nc(NCc3ccc4OCOc4c3)n(Cc5ccc(Cl)cc5)c2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 B10 compound treatment 0.252 0.0114 0.56 0.251 0.0168 0.87 1.0102 0.9783 1150805 ChemDiv1_004256 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)cc(OC)c3O)c(=O)n2C1c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 B11 compound treatment 0.254 0.0134 0.66 0.255 0.0208 1.07 1.2255 0.9732 1447214 ChemDiv1_004257 Cn1c(=O)n(C)c2nc(NCc3ccc4OCOc4c3)n(Cc5cccc(Br)c5)c2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 B12 compound treatment 0.257 0.0164 0.81 0.261 0.0268 1.38 1.5484 0.9676 1244184 ChemDiv1_004258 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(o3)N4CCCCC4)c(=O)n2C1c5ccc(OC)cc5OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 B13 compound treatment 0.262 0.0214 1.06 0.254 0.0198 1.02 1.4677 0.9999 1403876 ChemDiv1_004259 Cn1c(=O)n(C)c2nc(NCc3ccc4OCOc4c3)n(Cc5ccc(Br)cc5)c2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 B14 compound treatment 0.253 0.0124 0.61 0.252 0.0178 0.92 1.0814 0.9807 1123181 ChemDiv1_004260 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(cc3)C(=O)OC)c(=O)n2C1c4ccc5OCOc5c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 B15 compound treatment 0.253 0.0124 0.61 0.252 0.0178 0.92 1.0814 0.9807 1407004 ChemDiv1_004261 CCN(CC)CCNc1nc2n(C)c(=O)n(C)c(=O)c2n1Cc3ccc(Cl)c(Cl)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 B16 compound treatment 0.26 0.0194 0.96 0.261 0.0268 1.38 1.6528 0.984 1931096 ChemDiv1_004262 COc1ccc2ccccc2c1C3C(=C(C)N=c4sc(=Cc5cc(OC)c(OC)c(OC)c5)c(=O)n34)C(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 B17 compound treatment 0.298 0.0574 2.83 0.291 0.0568 2.92 4.0683 0.9999 1722363 ChemDiv1_004263 CCCn1c2ccccc2c3nc4cc(OC)c(OC)cc4nc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 B18 compound treatment 0.251 0.0104 0.51 0.25 0.0158 0.81 0.939 0.9754 1722870 ChemDiv1_004264 CCOC(=O)C1=C(C)N=c2sc(=Cc3cccnc3)c(=O)n2C1c4c(OC)ccc5ccc(OC)cc45 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 B19 compound treatment 0.252 0.0114 0.56 0.259 0.0248 1.28 1.3014 0.9323 1568825 ChemDiv1_004265 CCN(CC)CCn1c(NC(=O)C)nc2ccccc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 B20 compound treatment 0.251 0.0104 0.51 0.253 0.0188 0.97 1.0482 0.956 1129597 ChemDiv1_004266 COc1ccc(cc1OC)S(=O)(=O)N(CC(=O)N2CCN(CC2)c3ccccc3)c4ccc(C)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 B21 compound treatment 0.256 0.0154 0.76 0.256 0.0218 1.12 1.3315 0.9819 1972363 ChemDiv1_004267 Fc1ccccc1c2nc3sc4CCCCCc4c3c(=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 B22 compound treatment 0.243 0.00243 0.12 0.245 0.0108 0.56 0.4783 0.8401 1944638 ChemDiv1_004268 [O-][N+](=O)c1cccc(c1)N(CC(=O)NCCSCc2ccccc2Cl)S(=O)(=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 B23 mock treatment 0.249 0.00843 0.42 0.248 0.0138 0.71 0.7965 0.9672 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 B24 mock treatment 0.212 -0.0286 -1.41 0.216 -0.0182 -0.94 -1.657 -0.9804 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 C01 compound treatment 0.211 -0.0296 -1.46 0.212 -0.0222 -1.14 -1.8374 -0.9928 1924665 ChemDiv1_004269 CCc1ccc(cc1)c2nn(c3cc(ccc3[N+](=O)[O-])N4CCOCC4)c(=O)c5ccccc25 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 C02 compound treatment 0.241 4.33E-4 0.02 0.239 0.00481 0.25 0.1903 0.7652 1461496 ChemDiv1_004270 COc1cc(cc(OC)c1OC)c2cc(nc(SCC(=O)Nc3cc(C)on3)c2C#N)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 C03 compound treatment 0.242 0.00143 0.07 0.243 0.00881 0.45 0.3707 0.8074 1972364 ChemDiv1_004271 COc1cc(/C=C\2/SC(=S)N(CC=C)C2=O)ccc1Oc3nc(nc(n3)N4CCOCC4)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 C04 compound treatment 0.245 0.00443 0.22 0.24 0.00581 0.3 0.366 0.988 1972365 ChemDiv1_004272 CC/N=C/1\SC(CC(=O)Nc2ccccc2Cl)C(=O)N1CC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 C05 compound treatment 0.243 0.00243 0.12 0.243 0.00881 0.45 0.4055 0.8643 1563364 ChemDiv1_004273 COc1cc(C=c2sc3nc4ccccc4n3c2=O)ccc1OCc5ccc(Br)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 C06 compound treatment 0.243 0.00243 0.12 0.245 0.0108 0.56 0.4783 0.8401 1972366 ChemDiv1_004274 Cc1c(NC(=O)CCN2C(=O)S/C(=C/c3ccc(C)cc3)/C2=O)c(=O)n(c4ccccc4)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 C07 compound treatment 0.274 0.0334 1.65 0.259 0.0248 1.28 2.0676 0.9921 1972367 ChemDiv1_004275 CCOc1cc(/C=C\2/C(=O)NC(=O)N(CC=C)C2=O)ccc1OCc3ccccc3F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 C08 compound treatment 0.255 0.0144 0.71 0.253 0.0188 0.97 1.1875 0.9884 1972368 ChemDiv1_004276 COc1ccc(/C=C/2\SC(=NC2=O)N3CCN(CC3)C(=O)CCN4C(=O)\C(=C/c5ccc(OC)cc5)\SC4=S)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 C09 compound treatment 0.273 0.0324 1.6 0.277 0.0428 2.2 2.688 0.9875 1972369 ChemDiv1_004277 Brc1cc2OCOc2cc1/C=C\3/S/C(=N/c4ccccc4)/NC3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 C10 compound treatment 0.238 -0.00257 -0.13 0.245 0.0108 0.56 0.3042 0.5329 1697070 ChemDiv1_004278 Cc1ccccc1OCc2nc3c4c5CC(C)(C)NC(C)(C)c5sc4ncn3n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 C11 compound treatment 0.314 0.0734 3.62 0.288 0.0538 2.77 4.5164 0.9913 1972370 ChemDiv1_004279 COc1cc(/C=C\2/S/C(=N/c3ccccc3)/NC2=O)ccc1OCC#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 C12 compound treatment 0.549 0.308 15.19 0.514 0.28 14.4 20.9277 0.9996 1972371 ChemDiv1_004280 O=C1/C(=C\NN2CCCCC2)/Sc3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 C13 compound treatment 0.249 0.00843 0.42 0.244 0.00981 0.51 0.6509 0.9953 1972372 ChemDiv1_004281 Fc1ccc(/C=C\2/S/C(=N/c3ccccc3)/NC2=O)cc1Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 C14 compound treatment 0.257 0.0164 0.81 0.27 0.0358 1.84 1.876 0.9317 1972373 ChemDiv1_004282 C/C(=C/1\Sc2ccccc2C1=O)/Nc3ccccc3Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 C15 compound treatment 0.242 0.00143 0.07 0.248 0.0138 0.71 0.5527 0.7735 1972374 ChemDiv1_004283 [O-][N+](=O)c1cc(ccc1Oc2c(Br)cc(/C=C\3/NC(=S)NC3=O)cc2Br)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 C16 compound treatment 0.276 0.0354 1.75 0.277 0.0428 2.2 2.7925 0.9933 1972375 ChemDiv1_004284 CCC(=O)N(C)/C=C/1\Sc2ccccc2C1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 C17 compound treatment 0.339 0.0984 4.85 0.336 0.102 5.24 7.1344 0.9992 1972376 ChemDiv1_004285 COc1cccc(/C=C\2/S/C(=N/c3ccccc3Cl)/NC2=O)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 C18 compound treatment 0.288 0.0474 2.34 0.286 0.0518 2.67 3.5381 0.9978 1972377 ChemDiv1_004286 COc1ccc(cc1)N(/C=C/2\Sc3ccccc3C2=O)C(=O)c4cccc(Cl)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 C19 compound treatment 0.24 -5.67E-4 -0.03 0.241 0.00681 0.35 0.2283 0.6488 1972378 ChemDiv1_004287 Clc1ccccc1Cn2cc(C=c3sc4nc5ccccc5n4c3=O)c6ccccc26 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 C20 compound treatment 0.243 0.00243 0.12 0.244 0.00981 0.51 0.4419 0.8512 1972379 ChemDiv1_004288 Cc1sc2nc(oc(=O)c2c1C)c3cccc(c3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 C21 compound treatment 0.242 0.00143 0.07 0.242 0.00781 0.4 0.3343 0.8187 1972380 ChemDiv1_004289 Cc1cc2nnc(SCC(=O)Nc3ccccc3F)n2c4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 C22 compound treatment 0.243 0.00243 0.12 0.241 0.00681 0.35 0.3327 0.8978 1685242 ChemDiv1_004290 CC(C)(C)c1nc2scc(c3cccs3)c2c(=O)o1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 C23 mock treatment 0.235 -0.00557 -0.27 0.236 0.00181 0.09 -0.1279 -0.4416 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 C24 mock treatment 0.232 -0.00857 -0.42 0.223 -0.0112 -0.58 -0.7056 -0.9883 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 D01 compound treatment 0.232 -0.00857 -0.42 0.228 -0.00619 -0.32 -0.5236 -0.9904 1433674 ChemDiv1_004291 CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3cccc(Br)c3)cc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 D02 compound treatment 0.252 0.0114 0.56 0.247 0.0128 0.66 0.8646 0.9969 1972381 ChemDiv1_004292 CCN(CC)c1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccccc3C)c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 D03 compound treatment 0.343 0.102 5.05 0.318 0.0838 4.31 6.6184 0.997 1972382 ChemDiv1_004293 CC/1=NN(C(=O)\C1=C\Nc2cc(Br)ccc2O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 D04 compound treatment 0.247 0.00643 0.32 0.253 0.0188 0.97 0.9089 0.8919 1972383 ChemDiv1_004294 Clc1cc(Cl)cc(c1)N2C(=O)/C(=C/c3ccc4OCOc4c3)/C(=O)NC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 D05 compound treatment 0.252 0.0114 0.56 0.254 0.0198 1.02 1.1194 0.9608 1972384 ChemDiv1_004295 Cc1ccc(c2csc3[nH]c(=S)[nH]c(=O)c23)c(C)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 D06 compound treatment 0.256 0.0154 0.76 0.254 0.0198 1.02 1.2587 0.9895 1684781 ChemDiv1_004296 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(o3)N4CCCCC4)c(=O)n2C1c5cc(OC)ccc5OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 D07 compound treatment 0.256 0.0154 0.76 0.252 0.0178 0.92 1.1859 0.9957 1972385 ChemDiv1_004297 Cn1c(=O)n(C)c2nc(NCCOCCO)n(Cc3ccccc3Br)c2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 D08 compound treatment 0.274 0.0334 1.65 0.273 0.0388 2.0 2.5773 0.9954 1185537 ChemDiv1_004298 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC)cc3)c(=O)n2C1c4cc(OC)ccc4OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 D09 compound treatment 0.261 0.0204 1.01 0.261 0.0268 1.38 1.6877 0.9879 1510072 ChemDiv1_004299 COc1ccc(CCNc2nc3n(C)c(=O)n(C)c(=O)c3n2Cc4ccccc4F)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 D10 compound treatment 0.251 0.0104 0.51 0.26 0.0258 1.33 1.303 0.9145 1632828 ChemDiv1_004300 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)o3)c(=O)n2C1c4ccccc4OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 D11 compound treatment 0.261 0.0204 1.01 0.257 0.0228 1.17 1.5421 0.997 1221068 ChemDiv1_004301 Cn1c(=O)n(C)c2nc(NC3CCCCC3)n(Cc4ccc(Br)cc4)c2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 D12 compound treatment 0.282 0.0414 2.04 0.285 0.0508 2.62 3.2927 0.9925 1592894 ChemDiv1_004302 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)o3)c(=O)n2C1c4ccc(OC)cc4OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 D13 compound treatment 0.253 0.0124 0.61 0.244 0.00981 0.51 0.7902 0.9954 1972386 ChemDiv1_004303 Cn1c(=O)n(C)c2nc(NCCOCCO)n(Cc3ccc(Cl)cc3Cl)c2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 D14 compound treatment 0.25 0.00943 0.46 0.253 0.0188 0.97 1.0134 0.9434 1972387 ChemDiv1_004304 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(o3)N4CCCCC4)c(=O)n2C1c5ccc6OCOc6c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 D15 compound treatment 0.251 0.0104 0.51 0.252 0.0178 0.92 1.0118 0.9625 1549327 ChemDiv1_004305 CN1CCN(CC1)c2nc3n(C)c(=O)n(C)c(=O)c3n2Cc4c(Cl)cccc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 D16 compound treatment 0.257 0.0164 0.81 0.259 0.0248 1.28 1.4756 0.9758 1972388 ChemDiv1_004306 COc1ccc2ccc(OC)c(C=c3sc4=NC(=C(C(c5ccccc5OC)n4c3=O)C(=O)C)C)c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 D17 compound treatment 0.301 0.0604 2.98 0.308 0.0738 3.8 4.7917 0.9927 1173148 ChemDiv1_004307 CCCCn1c2ccccc2c3nc4cc(OC)c(OC)cc4nc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 D18 compound treatment 0.273 0.0324 1.6 0.274 0.0398 2.05 2.5788 0.9924 1972389 ChemDiv1_004308 COc1ccc(cc1)C(=O)NN2C(=O)C3C(C(C=CC3c4ccccc4)c5ccccc5)C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 D19 compound treatment 0.251 0.0104 0.51 0.255 0.0208 1.07 1.121 0.9434 1141158 ChemDiv1_004309 CN(C)CCCn1c(NC(=O)C)nc2ccccc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 D20 compound treatment 0.254 0.0134 0.66 0.253 0.0188 0.97 1.1527 0.9827 1972390 ChemDiv1_004310 COc1ccc(cc1OC)S(=O)(=O)N(CC(=O)NCCSc2ccccn2)c3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 D21 compound treatment 0.252 0.0114 0.56 0.254 0.0198 1.02 1.1194 0.9608 1730319 ChemDiv1_004311 Cc1cccc(c1)c2nc3sc4CCCCCc4c3c(=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 D22 compound treatment 0.251 0.0104 0.51 0.247 0.0128 0.66 0.8298 0.9924 1781251 ChemDiv1_004312 [O-][N+](=O)c1cccc(c1)N(CC(=O)N(Cc2ccccc2)Cc3ccccc3)S(=O)(=O)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 D23 mock treatment 0.245 0.00443 0.22 0.252 0.0178 0.92 0.8028 0.8517 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 D24 mock treatment 0.238 -0.00257 -0.13 0.227 -0.00719 -0.37 -0.351 -0.8977 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 E01 compound treatment 0.233 -0.00757 -0.37 0.224 -0.0102 -0.52 -0.6344 -0.986 1972391 ChemDiv1_004313 OC(=O)c1cc(NC(=O)c2cccc(c2)N3C(=O)c4cccc5c(ccc(C3=O)c45)[N+](=O)[O-])cc(c1)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 E02 compound treatment 0.252 0.0114 0.56 0.254 0.0198 1.02 1.1194 0.9608 1639906 ChemDiv1_004314 COc1cc(cc(OC)c1OC)c2cc(nc(SCC(=O)Nc3ncccn3)c2C#N)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 E03 compound treatment 0.253 0.0124 0.61 0.257 0.0228 1.17 1.2634 0.9539 1375823 ChemDiv1_004315 Cc1cc(C)n(n1)c2nc(nc(n2)N3CCOCC3)N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 E04 compound treatment 0.263 0.0224 1.1 0.263 0.0288 1.48 1.8301 0.9895 1972392 ChemDiv1_004316 CC/N=C\1/SC(CC(=O)Nc2cccc(c2)C(F)(F)F)C(=O)N1CC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 E05 compound treatment 0.254 0.0134 0.66 0.258 0.0238 1.23 1.3347 0.9581 1784721 ChemDiv1_004317 COc1ccc(c2ccc(C=c3sc4nc5ccccc5n4c3=O)o2)c(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 E06 compound treatment 0.323 0.0824 4.06 0.332 0.0978 5.04 6.4315 0.9943 1936624 ChemDiv1_004318 CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(OC)cc3)/SC2=S)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 E07 compound treatment 0.295 0.0544 2.68 0.283 0.0488 2.51 3.6726 0.9995 1944202 ChemDiv1_004319 [O-][N+](=O)c1ccc(Cl)c(c1)c2ccc(/C=C\3/C(=O)NC(=O)N(CC=C)C3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 E08 compound treatment 0.335 0.0944 4.65 0.312 0.0778 4.01 6.1214 0.9972 1947414 ChemDiv1_004320 [O-][N+](=O)c1cc2OCOc2cc1/C=C/3\SC(=S)N(NC(=O)c4ccccc4Cl)C3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 E09 compound treatment 0.305 0.0644 3.17 0.294 0.0598 3.08 4.4213 0.9999 1972393 ChemDiv1_004321 COc1cc(/C=C\2/S/C(=N/c3ccccc3)/NC2=O)cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 E10 compound treatment 0.26 0.0194 0.96 0.257 0.0228 1.17 1.5072 0.9948 1972394 ChemDiv1_004322 COCCOC(=O)C1=C(C)NC(=C(C1c2ccc(o2)c3ccc(Cl)cc3Cl)C(=O)OCCOC)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 E11 compound treatment 0.342 0.101 5.0 0.347 0.113 5.81 7.6393 0.9972 1972395 ChemDiv1_004323 COc1ccc2ccccc2c1/C=C\3/S/C(=N/c4ccccc4)/NC3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 E12 compound treatment 0.255 0.0144 0.71 0.258 0.0238 1.23 1.3695 0.9664 1972396 ChemDiv1_004324 Clc1ncccc1C(=O)Oc2ccccc2/C=C/3\Sc4ccccc4C3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 E13 compound treatment 0.257 0.0164 0.81 0.251 0.0168 0.87 1.1843 0.9994 1972397 ChemDiv1_004325 COc1cc(C=c2sc3nc4ccccc4n3c2=O)ccc1Oc5nc(nc(n5)N6CCOCC6)N7CCOCC7 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 E14 compound treatment 0.332 0.0914 4.5 0.397 0.163 8.38 9.1111 0.9576 1972398 ChemDiv1_004326 C/C(=C/1\Sc2ccccc2C1=O)/Nc3ccccc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 E15 compound treatment 0.26 0.0194 0.96 0.256 0.0218 1.12 1.4708 0.9968 1972399 ChemDiv1_004327 Clc1ccc(COc2ccc(/C=C\3/NC(=S)NC3=O)cc2)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 E16 compound treatment 0.36 0.119 5.88 0.368 0.134 6.89 9.0306 0.9969 1972400 ChemDiv1_004328 CCC(=O)N(Cc1ccccc1)/C=C/2\Sc3ccccc3C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 E17 compound treatment 0.321 0.0804 3.96 0.322 0.0878 4.52 5.9978 0.9978 1972401 ChemDiv1_004329 COc1ccc(/C=C\2/S/C(=N/c3ccccc3Cl)/NC2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 E18 compound treatment 0.265 0.0244 1.2 0.267 0.0328 1.69 2.0454 0.9862 1972402 ChemDiv1_004330 COc1ccc(cc1)c2csc3nc(oc(=O)c23)c4ccccc4OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 E19 compound treatment 0.274 0.0334 1.65 0.271 0.0368 1.9 2.5044 0.9975 1972403 ChemDiv1_004331 Clc1ccc(Cn2cc(/C=C\3/C(=O)NC(=O)N(CC=C)C3=O)c4ccccc24)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 E20 compound treatment 0.278 0.0374 1.84 0.271 0.0368 1.9 2.6438 0.9999 1381477 ChemDiv1_004332 O=c1oc(nc2scc(c3cccs3)c12)c4ccco4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 E21 compound treatment 0.251 0.0104 0.51 0.255 0.0208 1.07 1.121 0.9434 1972404 ChemDiv1_004333 O=C1N(CSc2ncnc3sc4CCCCc4c23)C(=O)c5ccccc15 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 E22 compound treatment 0.256 0.0154 0.76 0.254 0.0198 1.02 1.2587 0.9895 1972405 ChemDiv1_004334 Cc1sc2nc(oc(=O)c2c1C)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 E23 mock treatment 0.248 0.00743 0.37 0.252 0.0178 0.92 0.9073 0.9189 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 E24 mock treatment 0.24 -5.67E-4 -0.03 0.235 8.12E-4 0.04 0.0098 0.1957 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 F01 compound treatment 0.251 0.0104 0.51 0.235 8.12E-4 0.04 0.3929 0.7621 1972406 ChemDiv1_004335 CCOC(=O)c1c(C)n(c2ccc(C)cc2C)c3ccc(OC(=O)/C=C/c4ccccc4)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 F02 compound treatment 0.259 0.0184 0.91 0.245 0.0108 0.56 1.0356 0.9724 1928991 ChemDiv1_004336 CCN(CC)c1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(F)cc3)c(O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 F03 compound treatment 0.259 0.0184 0.91 0.26 0.0258 1.33 1.5816 0.9827 1972407 ChemDiv1_004337 CCOC(=O)c1c(N/C=C/2\C(=NN(C2=O)c3ccccc3)C)scc1c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 F04 compound treatment 0.287 0.0464 2.29 0.288 0.0538 2.77 3.576 0.9955 1494558 ChemDiv1_004338 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)o3)c(=O)n2C1c4ccc(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 F05 compound treatment 0.278 0.0374 1.84 0.264 0.0298 1.53 2.3889 0.9958 1972408 ChemDiv1_004339 Brc1ccc(cc1)c2csc3[nH]c(=S)[nH]c(=O)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 F06 compound treatment 0.279 0.0384 1.89 0.275 0.0408 2.1 2.8242 0.9986 1487022 ChemDiv1_004340 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C)c(OC)c3)c(=O)n2C1c4cc(OC)ccc4OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 F07 compound treatment 0.265 0.0244 1.2 0.259 0.0248 1.28 1.7542 0.9996 1659447 ChemDiv1_004341 CC1CCN(CC1)c2nc3n(C)c(=O)n(C)c(=O)c3n2Cc4ccccc4Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 F08 compound treatment 0.389 0.148 7.31 0.413 0.179 9.21 11.6787 0.9935 1507573 ChemDiv1_004342 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(OC)c3)c(=O)n2C1c4cccc(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 F09 compound treatment 0.272 0.0314 1.55 0.273 0.0388 2.0 2.5076 0.992 1678240 ChemDiv1_004343 COc1ccc(CCNc2nc3n(C)c(=O)n(C)c(=O)c3n2Cc4cccc(F)c4)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 F10 compound treatment 0.261 0.0204 1.01 0.257 0.0228 1.17 1.5421 0.997 1282868 ChemDiv1_004344 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(o3)N4CCCCC4)c(=O)n2C1c5ccccc5OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 F11 compound treatment 0.258 0.0174 0.86 0.259 0.0248 1.28 1.5104 0.9813 1972409 ChemDiv1_004345 Cn1c(=O)n(C)c2nc(NCCOCCO)n(Cc3ccc(Br)cc3)c2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 F12 compound treatment 0.305 0.0644 3.17 0.317 0.0828 4.26 5.2586 0.9894 1440544 ChemDiv1_004346 CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]c4ccccc34)c(=O)n2C1c5ccc(OC)cc5OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 F13 compound treatment 0.266 0.0254 1.25 0.259 0.0248 1.28 1.789 1.0 1253520 ChemDiv1_004347 CN1CCN(CC1)c2nc3n(C)c(=O)n(C)c(=O)c3n2Cc4ccc(Cl)cc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 F14 compound treatment 0.308 0.0674 3.32 0.317 0.0828 4.26 5.3631 0.9924 1972410 ChemDiv1_004348 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2C1c4ccc5OCOc5c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 F15 compound treatment 0.259 0.0184 0.91 0.262 0.0278 1.43 1.6544 0.9758 1256488 ChemDiv1_004349 CCN(CC)CCNc1nc2n(C)c(=O)n(C)c(=O)c2n1Cc3c(Cl)cccc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 F16 compound treatment 0.351 0.11 5.44 0.358 0.124 6.37 8.3531 0.9969 1292167 ChemDiv1_004350 CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(O)c3)c(=O)n2C1c4cc(Br)c(OC)cc4OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 F17 compound treatment 0.391 0.15 7.41 0.401 0.167 8.59 11.3115 0.9973 1327163 ChemDiv1_004351 COc1cc2nc3n(CCC(C)C)c4ccccc4c3nc2cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 F18 compound treatment 0.316 0.0754 3.72 0.322 0.0878 4.52 5.8237 0.9953 1172234 ChemDiv1_004352 CCOc1ccc(cc1)N(CC(=O)Nc2ccc(F)c(Cl)c2)S(=O)(=O)c3ccc(SC)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 F19 compound treatment 0.266 0.0254 1.25 0.268 0.0338 1.74 2.1166 0.987 1727978 ChemDiv1_004353 Cc1ccc(cc1)C(=O)Nc2nc3ccccc3n2CCN4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 F20 compound treatment 0.311 0.0704 3.47 0.306 0.0718 3.7 5.0671 0.9995 1972411 ChemDiv1_004354 COc1ccc(cc1OC)S(=O)(=O)N(CC(=O)NCCSc2ccc(Cl)cc2)c3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 F21 compound treatment 0.258 0.0174 0.86 0.259 0.0248 1.28 1.5104 0.9813 1972412 ChemDiv1_004355 Cc1ccccc1c2nc3sc4CCCc4c3c(=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 F22 compound treatment 0.289 0.0484 2.39 0.282 0.0478 2.46 3.4273 0.9999 1120902 ChemDiv1_004356 COc1ccccc1N2CCN(CC2)C(=O)CN(c3ccc(C)cc3)S(=O)(=O)c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 F23 mock treatment 0.258 0.0174 0.86 0.253 0.0188 0.97 1.292 0.9982 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 F24 mock treatment 0.238 -0.00257 -0.13 0.24 0.00581 0.3 0.1222 0.3762 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 G01 compound treatment 0.24 -5.67E-4 -0.03 0.213 -0.0212 -1.09 -0.791 -0.725 1470580 ChemDiv1_004357 OC(=O)c1ccc(cc1)S(=O)(=O)c2ccc3C(=O)N(C(=O)c4cccc2c43)c5cccc(O)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 G02 compound treatment 0.25 0.00943 0.46 0.253 0.0188 0.97 1.0134 0.9434 1191919 ChemDiv1_004358 Cc1ccc(cc1)c2cc(nc(SCC(=O)Nc3ncccn3)c2C#N)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 G03 compound treatment 0.264 0.0234 1.15 0.272 0.0378 1.95 2.1926 0.9689 1972413 ChemDiv1_004359 COc1cc(/C=C\2/SC(=S)N(CC=C)C2=O)ccc1Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 G04 compound treatment 0.341 0.1 4.95 0.357 0.123 6.32 7.9685 0.9926 1972414 ChemDiv1_004360 [O-][N+](=O)c1ccc2NC(=O)/C(=C/3\SC(=S)N(NC(=O)c4cccnc4)C3=O)/c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 G05 compound treatment 0.444 0.203 10.02 0.435 0.201 10.34 14.395 0.9999 1972415 ChemDiv1_004361 COc1cc(/C=C\2/SC(=S)N(CC(=O)O)C2=O)ccc1Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 G06 compound treatment 0.359 0.118 5.83 0.352 0.118 6.07 8.4133 0.9998 1972416 ChemDiv1_004362 [O-][N+](=O)c1ccccc1C(=O)NN2C(=O)/C(=C/c3ccc(Br)cc3)/SC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 G07 compound treatment 0.293 0.0524 2.58 0.296 0.0618 3.18 4.0762 0.9946 1972417 ChemDiv1_004363 COc1cc(/C=C\2/C(=O)NC(=O)N(CC=C)C2=O)ccc1OCc3ccccc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 G08 compound treatment 0.297 0.0564 2.78 0.289 0.0548 2.82 3.9607 1.0 1972418 ChemDiv1_004364 Brc1ccc2NC(=O)/C(=C/3\SC(=S)N(NS(=O)(=O)c4ccccc4)C3=O)/c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 G09 compound treatment 0.348 0.107 5.29 0.356 0.122 6.27 8.1759 0.9964 1972419 ChemDiv1_004365 CCOc1cc(cc(/C=C\2/S/C(=N/c3ccccc3)/NC2=O)c1O)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 G10 compound treatment 0.402 0.161 7.95 0.408 0.174 8.95 11.9494 0.9983 1972420 ChemDiv1_004366 [O-][N+](=O)c1ccccc1c2ccc(/C=C/3\NC(=S)N(C3=O)c4ccccc4)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 G11 compound treatment 0.326 0.0854 4.21 0.342 0.108 5.55 6.9 0.9907 1972421 ChemDiv1_004367 CCOc1cc(/C=C\2/S/C(=N/c3ccccc3)/NC2=O)ccc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 G12 compound treatment 0.259 0.0184 0.91 0.265 0.0308 1.59 1.7636 0.9649 1972422 ChemDiv1_004368 COc1cc(cc(OC)c1OC)C(=O)Oc2ccccc2/C=C/3\Sc4ccccc4C3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 G13 compound treatment 0.264 0.0234 1.15 0.266 0.0318 1.64 1.9742 0.9853 1972423 ChemDiv1_004369 COc1cc(/C=C/2\C(=NN(C2=O)c3ccccc3)C)ccc1OCCOc4ccc(C)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 G14 compound treatment 0.281 0.0404 1.99 0.287 0.0528 2.72 3.3307 0.9883 1972424 ChemDiv1_004370 C/C(=C/1\Sc2ccccc2C1=O)/Nc3ccccc3O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 G15 compound treatment 0.266 0.0254 1.25 0.263 0.0288 1.48 1.9346 0.9965 1972425 ChemDiv1_004371 CCOc1cc(/C=C\2/NC(=S)NC2=O)ccc1OCc3ccc(Cl)cc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 G16 compound treatment 0.405 0.164 8.1 0.396 0.162 8.33 11.6171 0.9999 1972426 ChemDiv1_004372 COc1ccccc1N(C=O)/C=C/2\Sc3ccccc3C2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 G17 compound treatment 0.357 0.116 5.73 0.356 0.122 6.27 8.4893 0.999 1972427 ChemDiv1_004373 CCOc1cccc(/C=C\2/S/C(=N/c3ccccc3Cl)/NC2=O)c1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 G18 compound treatment 0.287 0.0464 2.29 0.298 0.0638 3.29 3.9401 0.9843 1121995 ChemDiv1_004374 COc1ccccc1c2nc3sc4CCCCc4c3c(=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 G19 compound treatment 0.279 0.0384 1.89 0.28 0.0458 2.36 3.0062 0.9941 1972428 ChemDiv1_004375 OC(=O)c1cc(ccc1Cl)c2ccc(/C=C\3/C(=O)NC(=O)N(CC=C)C3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 G20 compound treatment 0.277 0.0364 1.79 0.283 0.0488 2.51 3.0458 0.9864 1972429 ChemDiv1_004376 Cc1nc2scc(c3ccc(Br)cc3)c2c(=O)o1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 G21 compound treatment 0.28 0.0394 1.94 0.275 0.0408 2.1 2.859 0.9992 1924034 ChemDiv1_004377 COC(=O)CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)/SC1=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 G22 compound treatment 0.254 0.0134 0.66 0.255 0.0208 1.07 1.2255 0.9732 1972430 ChemDiv1_004378 Cc1cc2c(=O)oc(nc2s1)c3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 G23 mock treatment 0.249 0.00843 0.42 0.25 0.0158 0.81 0.8693 0.9512 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 G24 mock treatment 0.235 -0.00557 -0.27 0.223 -0.0112 -0.58 -0.6011 -0.9424 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 H01 compound treatment 0.25 0.00943 0.46 0.225 -0.00919 -0.47 -0.0059 -0.0089 1972431 ChemDiv1_004379 CCOC(=O)c1c(C)n(c2ccc(C)c(C)c2)c3ccc(OC(=O)c4ccccc4)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 H02 compound treatment 0.33 0.0894 4.4 0.332 0.0978 5.04 6.6753 0.9978 1948670 ChemDiv1_004380 CC1=NN(C(=O)C1/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(F)cc3)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 H03 compound treatment 0.282 0.0414 2.04 0.283 0.0488 2.51 3.2199 0.9947 1972432 ChemDiv1_004381 CCOC(=O)c1c(N/C=C/2\C(=NN(C2=O)c3ccccc3)C)scc1c4ccc(C)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 H04 compound treatment 0.263 0.0224 1.1 0.259 0.0248 1.28 1.6845 0.9974 1689219 ChemDiv1_004382 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(o3)N4CCCCC4)c(=O)n2C1c5ccc(OC)c(OC)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 H05 compound treatment 0.316 0.0754 3.72 0.32 0.0858 4.42 5.7509 0.9963 1972433 ChemDiv1_004383 Cc1sc2[nH]c(=S)[nH]c(=O)c2c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 H06 compound treatment 0.256 0.0154 0.76 0.257 0.0228 1.17 1.3679 0.9778 1222639 ChemDiv1_004384 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)o3)c(=O)n2C1c4cc(OC)ccc4OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 H07 compound treatment 0.26 0.0194 0.96 0.259 0.0248 1.28 1.58 0.9899 1191951 ChemDiv1_004385 CN1CCN(CC1)c2nc3n(C)c(=O)n(C)c(=O)c3n2Cc4ccccc4Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 H08 compound treatment 0.268 0.0274 1.35 0.267 0.0328 1.69 2.1499 0.9939 1465669 ChemDiv1_004386 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)ccc3OC)c(=O)n2C1c4ccc(cc4)N(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 H09 compound treatment 0.26 0.0194 0.96 0.255 0.0208 1.07 1.4344 0.9984 1685916 ChemDiv1_004387 Cn1c(=O)n(C)c2nc(NCc3ccc4OCOc4c3)n(Cc5cccc(F)c5)c2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 H10 compound treatment 0.354 0.113 5.59 0.359 0.125 6.43 8.494 0.9976 1565170 ChemDiv1_004388 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)cc(OC)c3O)c(=O)n2C1c4ccccc4OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 H11 compound treatment 0.257 0.0164 0.81 0.258 0.0238 1.23 1.4392 0.9797 1358843 ChemDiv1_004389 CCN1CCN(CC1)c2nc3n(C)c(=O)n(C)c(=O)c3n2Cc4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 H12 compound treatment 0.336 0.0954 4.7 0.325 0.0908 4.68 6.6295 1.0 1195996 ChemDiv1_004390 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)cc(OC)c3O)c(=O)n2C1c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 H13 compound treatment 0.259 0.0184 0.91 0.249 0.0148 0.76 1.1812 0.9962 1489629 ChemDiv1_004391 CCN(CC)CCNc1nc2n(C)c(=O)n(C)c(=O)c2n1Cc3ccc(Cl)cc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 H14 compound treatment 0.27 0.0294 1.45 0.279 0.0448 2.31 2.6564 0.9749 1972434 ChemDiv1_004392 O=C/1N(Cc2ccccc2)\C(=N/Cc3ccccc3)\S\C1=C/c4cccnc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 H15 compound treatment 0.272 0.0314 1.55 0.274 0.0398 2.05 2.544 0.9904 1215521 ChemDiv1_004393 Cn1c(=O)n(C)c2nc(NCc3ccc4OCOc4c3)n(Cc5c(Cl)cccc5Cl)c2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 H16 compound treatment 0.321 0.0804 3.96 0.333 0.0988 5.09 6.3983 0.9924 1972435 ChemDiv1_004394 CCOc1cc(C=c2sc3=NC(=C(C(c4c(OC)ccc5ccccc45)n3c2=O)C(=O)C)C)ccc1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 H17 compound treatment 0.283 0.0424 2.09 0.289 0.0548 2.82 3.4731 0.9891 1478760 ChemDiv1_004395 Cc1cc(C)c2n(CC(O)CN3C(=O)c4ccccc4S3(=O)=O)c(c(c5ccccc5)c2c1)c6ccccc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 H18 compound treatment 0.298 0.0574 2.83 0.303 0.0688 3.54 4.5052 0.9938 1374726 ChemDiv1_004396 CCOc1ccc(cc1)N(CC(=O)N2CCN(CC2)c3ccccc3)S(=O)(=O)c4ccc(SC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 H19 compound treatment 0.317 0.0764 3.76 0.313 0.0788 4.06 5.5309 0.9993 1361970 ChemDiv1_004397 Clc1ccc(Cn2c(NC(=O)c3ccco3)nc4ccccc24)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 H20 compound treatment 0.296 0.0554 2.73 0.296 0.0618 3.18 4.1807 0.9971 1972436 ChemDiv1_004398 COc1ccc(cc1OC)S(=O)(=O)N(CC(=O)NCCSCc2ccc(Cl)cc2)c3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 H21 compound treatment 0.277 0.0364 1.79 0.282 0.0478 2.46 3.0094 0.9879 1972437 ChemDiv1_004399 Cc1ccc(cc1)S(=O)(=O)Oc2ccccc2/C=C/3\N=C(OC3=O)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 H22 compound treatment 0.315 0.0744 3.67 0.319 0.0848 4.37 5.6797 0.9962 1972438 ChemDiv1_004400 COc1ccc(N(CC(=O)N2CCN(CC2)c3ccccc3OC)S(=O)(=O)c4ccccc4[N+](=O)[O-])c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 H23 mock treatment 0.25 0.00943 0.46 0.256 0.0218 1.12 1.1226 0.9237 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 H24 mock treatment 0.252 0.0114 0.56 0.236 0.00181 0.09 0.4642 0.8132 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 I01 compound treatment 0.245 0.00443 0.22 0.233 -0.00119 -0.06 0.1112 0.4903 1305861 ChemDiv1_004401 OC(=O)c1cc(Br)ccc1NC(=O)c2ccc(cc2)N3C(=O)C4C5CC(C=C5)C4C3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 I02 compound treatment 0.276 0.0354 1.75 0.276 0.0418 2.15 2.7561 0.9946 1972439 ChemDiv1_004402 CCOc1cc(/C=C/2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)ccc1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 I03 compound treatment 0.258 0.0174 0.86 0.257 0.0228 1.17 1.4376 0.9882 1972440 ChemDiv1_004403 COc1cc(/C=C\2/SC(=S)N(C)C2=O)ccc1Oc3nc(nc(n3)N4CCOCC4)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 I04 compound treatment 0.348 0.107 5.29 0.359 0.125 6.43 8.2851 0.9953 1972441 ChemDiv1_004404 CC(=O)N1C(=O)/C(=C/2\SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)/c4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 I05 compound treatment 0.255 0.0144 0.71 0.261 0.0268 1.38 1.4787 0.9524 1972442 ChemDiv1_004405 CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc3ccccc3F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 I06 compound treatment 0.286 0.0454 2.24 0.292 0.0578 2.98 3.6868 0.9901 1972443 ChemDiv1_004406 Brc1ccc(CC2S/C(=N/c3ccccc3)/NC2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 I07 compound treatment 0.316 0.0754 3.72 0.324 0.0898 4.62 5.8965 0.9941 1972444 ChemDiv1_004407 COc1cc(/C=C\2/C(=O)NC(=O)N(CC=C)C2=O)ccc1OCc3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 I08 compound treatment 0.273 0.0324 1.6 0.269 0.0348 1.79 2.3968 0.9984 1972445 ChemDiv1_004408 Oc1ccc2c(=O)c(c3ccc(Cl)cc3)c(oc2c1CN4CCOCC4)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 I09 compound treatment 0.324 0.0834 4.11 0.307 0.0728 3.75 5.5563 0.9989 1972446 ChemDiv1_004409 COc1ccc(/C=C\2/S/C(=N/c3ccccc3)/NC2=O)c(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 I10 compound treatment 0.391 0.15 7.41 0.422 0.188 9.67 12.076 0.9914 1972447 ChemDiv1_004410 Clc1ccc(Cl)c(c1)c2ccc(/C=C/3\NC(=S)N(C3=O)c4ccccc4)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 I11 compound treatment 0.396 0.155 7.66 0.402 0.168 8.64 11.5221 0.9982 1972448 ChemDiv1_004411 COc1cc(/C=C\2/S/C(=N/c3ccccc3)/NC2=O)ccc1OCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 I12 compound treatment 0.268 0.0274 1.35 0.281 0.0468 2.41 2.6595 0.9626 1972449 ChemDiv1_004412 CC(=O)Oc1ccc(cc1/C=C/2\Sc3ccccc3C2=O)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 I13 compound treatment 0.275 0.0344 1.7 0.279 0.0448 2.31 2.8305 0.9885 1972450 ChemDiv1_004413 [O-][N+](=O)c1ccc(Oc2cccc(/C=C\3/NC(=S)NC3=O)c2)c(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 I14 compound treatment 0.352 0.111 5.49 0.351 0.117 6.01 8.1331 0.999 1972451 ChemDiv1_004414 C/C(=C/1\Sc2ccccc2C1=O)/Nc3cccc(Br)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 I15 compound treatment 0.292 0.0514 2.53 0.293 0.0588 3.03 3.9322 0.9961 1972452 ChemDiv1_004415 [O-][N+](=O)c1cccc(/C=C\2/S/C(=N/c3ccccc3Cl)/NC2=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 I16 compound treatment 0.347 0.106 5.24 0.355 0.121 6.22 8.1046 0.9964 1972453 ChemDiv1_004416 O=CN(/C=C/1\Sc2ccccc2C1=O)c3cccc4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 I17 compound treatment 0.271 0.0304 1.5 0.269 0.0348 1.79 2.3272 0.9961 1972454 ChemDiv1_004417 OC(=O)COc1cccc(/C=C\2/S/C(=N/c3ccccc3Cl)/NC2=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 I18 compound treatment 0.297 0.0564 2.78 0.29 0.0558 2.87 3.9971 0.9999 1972455 ChemDiv1_004418 COc1ccc(cc1)c2csc3nc(oc(=O)c23)c4ccccc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 I19 compound treatment 0.288 0.0474 2.34 0.296 0.0618 3.18 3.9021 0.9885 1474215 ChemDiv1_004419 C=CCn1c(SCC(=O)c2cccs2)nc3sc4CCCc4c3c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 I20 compound treatment 0.258 0.0174 0.86 0.258 0.0238 1.23 1.474 0.9848 1972456 ChemDiv1_004420 Cc1sc2nc(C)oc(=O)c2c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 I21 compound treatment 0.273 0.0324 1.6 0.266 0.0318 1.64 2.2876 0.9999 1268616 ChemDiv1_004421 Brc1ccccc1Oc2coc3cc(OC(=O)c4ccco4)ccc3c2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 I22 compound treatment 0.256 0.0154 0.76 0.258 0.0238 1.23 1.4043 0.9736 1972457 ChemDiv1_004422 Cc1cc2c(=O)oc(nc2s1)c3ccc(cc3)C(C)(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 I23 mock treatment 0.255 0.0144 0.71 0.253 0.0188 0.97 1.1875 0.9884 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 I24 mock treatment 0.252 0.0114 0.56 0.236 0.00181 0.09 0.4642 0.8132 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 J01 compound treatment 0.247 0.00643 0.32 0.233 -0.00119 -0.06 0.1808 0.5603 1725277 ChemDiv1_004423 CCOC(=O)c1c(C)n(c2ccccc2C)c3ccc(OC(=O)c4ccccc4)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 J02 compound treatment 0.401 0.16 7.9 0.404 0.17 8.74 11.769 0.9987 1972458 ChemDiv1_004424 Cc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(F)cc3)c(C)n1c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 J03 compound treatment 0.327 0.0864 4.26 0.304 0.0698 3.59 5.5516 0.9965 1972459 ChemDiv1_004425 CCOC(=O)c1c(N/C=C/2\C(=NN(C2=O)c3ccccc3)C)scc1c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 J04 compound treatment 0.259 0.0184 0.91 0.255 0.0208 1.07 1.3996 0.9966 1404479 ChemDiv1_004426 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(O)c3)c(=O)n2C1c4ccc(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 J05 compound treatment 0.287 0.0464 2.29 0.286 0.0518 2.67 3.5032 0.9971 1972460 ChemDiv1_004427 CCOC(=O)CSc1nc2sc3CCCc3c2c(=O)n1c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 J06 compound treatment 0.261 0.0204 1.01 0.268 0.0338 1.74 1.9425 0.9661 1266930 ChemDiv1_004428 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OC)c3)c(=O)n2C1c4cc(OC)ccc4OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 J07 compound treatment 0.273 0.0324 1.6 0.269 0.0348 1.79 2.3968 0.9984 1590946 ChemDiv1_004429 Cn1c(=O)n(C)c2nc(NCc3ccco3)n(Cc4ccccc4Br)c2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 J08 compound treatment 0.256 0.0154 0.76 0.258 0.0238 1.23 1.4043 0.9736 1200045 ChemDiv1_004430 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(o3)c4ccc(cc4)C(=O)O)c(=O)n2C1c5cccs5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 J09 compound treatment 0.268 0.0274 1.35 0.267 0.0328 1.69 2.1499 0.9939 1208663 ChemDiv1_004431 Cn1c(=O)n(C)c2nc(NCc3ccc4OCOc4c3)n(Cc5ccc(F)cc5)c2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 J10 compound treatment 0.323 0.0824 4.06 0.345 0.111 5.7 6.9047 0.9861 1684224 ChemDiv1_004432 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2C1c4ccccc4OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 J11 compound treatment 0.259 0.0184 0.91 0.261 0.0268 1.38 1.618 0.9793 1359181 ChemDiv1_004433 CCN(CC)CCNc1nc2n(C)c(=O)n(C)c(=O)c2n1Cc3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 J12 compound treatment 0.257 0.0164 0.81 0.264 0.0298 1.53 1.6576 0.9553 1658381 ChemDiv1_004434 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc4OCOc4cc3Cl)c(=O)n2C1c5ccc(OC)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 J13 compound treatment 0.248 0.00743 0.37 0.253 0.0188 0.97 0.9437 0.9115 1227802 ChemDiv1_004435 Cn1c(=O)n(C)c2nc(NCc3ccccc3)n(Cc4ccc(Cl)cc4Cl)c2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 J14 compound treatment 0.334 0.0934 4.6 0.317 0.0828 4.26 6.2686 0.9993 1200293 ChemDiv1_004436 CCOC(=O)C1=C(C)N=c2sc(=Cc3c[nH]c4ccccc34)c(=O)n2C1c5cc(Br)c(OC)cc5OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 J15 compound treatment 0.269 0.0284 1.4 0.263 0.0288 1.48 2.0391 0.9996 1186646 ChemDiv1_004437 Cn1c(=O)n(C)c2nc(NCCc3ccccc3)n(Cc4c(F)cccc4Cl)c2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 J16 compound treatment 0.264 0.0234 1.15 0.27 0.0358 1.84 2.1198 0.9746 1972461 ChemDiv1_004438 COc1ccc(C=c2sc3=NC(=C(C(c4c(OC)ccc5ccccc45)n3c2=O)C(=O)C)C)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 J17 compound treatment 0.272 0.0314 1.55 0.271 0.0368 1.9 2.4348 0.995 1611579 ChemDiv1_004439 CCOC(=O)C1=C(C)OC(=C(C#N)C1c2ccc(O)cc2)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 J18 compound treatment 0.284 0.0434 2.14 0.284 0.0498 2.56 3.3259 0.9959 1568461 ChemDiv1_004440 CCOc1ccc(cc1)N(CC(=O)N2CCN(CC2)c3ccccc3OC)S(=O)(=O)c4ccc(SC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 J19 compound treatment 0.255 0.0144 0.71 0.257 0.0228 1.17 1.3331 0.9711 1972462 ChemDiv1_004441 CCOC(=O)CSc1nc2cc(C)ccc2[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 J20 compound treatment 0.283 0.0424 2.09 0.276 0.0418 2.15 2.9999 0.9999 1972463 ChemDiv1_004442 COc1ccc(cc1OC)S(=O)(=O)N(CC(=O)NCCSCc2cccc(Cl)c2)c3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 J21 compound treatment 0.251 0.0104 0.51 0.254 0.0198 1.02 1.0846 0.9496 1972464 ChemDiv1_004443 Clc1ccc(cc1)N2C(=O)/C(=C/c3cc4OCOc4cc3Br)/C(=O)NC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 J22 compound treatment 0.3 0.0594 2.93 0.296 0.0618 3.18 4.32 0.9991 1783361 ChemDiv1_004444 COc1ccc(N(CC(=O)NCc2ccc(Cl)cc2Cl)S(=O)(=O)c3ccccc3[N+](=O)[O-])c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 J23 mock treatment 0.25 0.00943 0.46 0.25 0.0158 0.81 0.9041 0.9646 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 J24 mock treatment 0.246 0.00543 0.27 0.222 -0.0122 -0.63 -0.2544 -0.373 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 K01 compound treatment 0.243 0.00243 0.12 0.231 -0.00319 -0.16 -0.0313 -0.154 1972465 ChemDiv1_004445 O=C(Nc1ccc(cc1)c2nc3ccccc3o2)c4ccc(cc4)N5C(=O)C6C7CC(C=C7)C6C5=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 K02 compound treatment 0.253 0.0124 0.61 0.255 0.0208 1.07 1.1906 0.9648 1972466 ChemDiv1_004446 COC(=O)c1ccc(/C=C/2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 K03 compound treatment 0.286 0.0454 2.24 0.301 0.0668 3.44 4.0144 0.9783 1944052 ChemDiv1_004447 Fc1ccc(COc2ccc(Br)cc2/C=C\3/SC(=O)NC3=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 K04 compound treatment 0.253 0.0124 0.61 0.255 0.0208 1.07 1.1906 0.9648 1927063 ChemDiv1_004448 COc1ccc(/C=C\2/SC(=NC2=O)N3CCN(CC3)C(=O)CN4C(=O)S\C(=C/c5ccccc5F)\C4=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 K05 compound treatment 0.257 0.0164 0.81 0.262 0.0278 1.43 1.5848 0.9635 1972467 ChemDiv1_004449 COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc3ccc(Cl)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 K06 compound treatment 0.272 0.0314 1.55 0.274 0.0398 2.05 2.544 0.9904 1972468 ChemDiv1_004450 Cc1ccccc1CC2S/C(=N/c3ccc(Br)cc3)/NC2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 K07 compound treatment 0.28 0.0394 1.94 0.281 0.0468 2.41 3.0774 0.9943 1972469 ChemDiv1_004451 CCOc1cc(/C=C\2/SC(=O)N(C2=O)c3ccc(Cl)cc3)ccc1OCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 K08 compound treatment 0.266 0.0254 1.25 0.269 0.0348 1.79 2.153 0.9847 1972470 ChemDiv1_004452 CN1CCN(Cc2c(O)ccc3c(=O)c(c4ccc(Cl)cc4)c(oc23)C(F)(F)F)CC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 K09 compound treatment 0.356 0.115 5.69 0.381 0.147 7.56 9.3645 0.9902 1972471 ChemDiv1_004453 CCOc1cc(/C=C\2/S/C(=N/c3ccccc3)/NC2=O)cc(Br)c1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 K10 compound treatment 0.302 0.0614 3.03 0.307 0.0728 3.75 4.7901 0.9944 1972472 ChemDiv1_004454 COC(=O)C1=C(C)N=c2sc(=Cc3cccc(c3)[N+](=O)[O-])c(=O)n2C1c4ccc(OC)c(OC)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 K11 compound treatment 0.318 0.0774 3.81 0.317 0.0828 4.26 5.7113 0.9985 1972473 ChemDiv1_004455 CCOc1ccc(/C=C\2/S/C(=N/c3ccccc3)/NC2=O)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 K12 compound treatment 0.256 0.0154 0.76 0.263 0.0288 1.48 1.5863 0.9518 1972474 ChemDiv1_004456 [O-][N+](=O)c1ccc(o1)C(=O)Oc2ccccc2/C=C/3\Sc4ccccc4C3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 K13 compound treatment 0.29 0.0494 2.43 0.298 0.0638 3.29 4.0445 0.9891 1447438 ChemDiv1_004457 COc1cc(C=O)ccc1Oc2nc(nc(n2)N3CCCCC3)N4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 K14 compound treatment 0.365 0.124 6.13 0.372 0.138 7.09 9.3503 0.9973 1972475 ChemDiv1_004458 C/C(=C/1\Sc2ccccc2C1=O)/Nc3cccc(Cl)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 K15 compound treatment 0.311 0.0704 3.47 0.304 0.0698 3.59 4.9943 0.9998 1972476 ChemDiv1_004459 [O-][N+](=O)c1ccc(/C=C\2/S/C(=N/c3ccccc3Cl)/NC2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 K16 compound treatment 0.375 0.134 6.62 0.375 0.141 7.25 9.8078 0.999 1972477 ChemDiv1_004460 CC(=O)N(/C=C/1\Sc2ccccc2C1=O)c3ccc(cc3)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 K17 compound treatment 0.302 0.0614 3.03 0.307 0.0728 3.75 4.7901 0.9944 1972478 ChemDiv1_004461 CCOc1ccc(/C=C\2/S/C(=N/c3ccccc3Cl)/NC2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 K18 compound treatment 0.268 0.0274 1.35 0.264 0.0298 1.53 2.0407 0.998 1972479 ChemDiv1_004462 Clc1cccc(c1)c2nc3sc4CCCCc4c3c(=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 K19 compound treatment 0.256 0.0154 0.76 0.255 0.0208 1.07 1.2951 0.9859 1972480 ChemDiv1_004463 COc1ccc(cc1OC)c2nc3sc4CCCCc4c3c(=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 K20 compound treatment 0.274 0.0334 1.65 0.277 0.0428 2.2 2.7229 0.9897 1647504 ChemDiv1_004464 CCc1nc2sc3CCCCc3c2c(=O)o1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 K21 compound treatment 0.259 0.0184 0.91 0.257 0.0228 1.17 1.4724 0.9919 1972481 ChemDiv1_004465 COc1ccccc1c2c(oc3c(CN4CCCCC4)c(O)ccc3c2=O)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 K22 compound treatment 0.261 0.0204 1.01 0.261 0.0268 1.38 1.6877 0.9879 1505504 ChemDiv1_004466 Cc1ccc(cc1)c2csc3nc(Cc4ccccc4)oc(=O)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 K23 mock treatment 0.252 0.0114 0.56 0.253 0.0188 0.97 1.083 0.9667 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 K24 mock treatment 0.243 0.00243 0.12 0.239 0.00481 0.25 0.2599 0.9445 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 L01 compound treatment 0.247 0.00643 0.32 0.247 0.0128 0.66 0.6905 0.9436 1334632 ChemDiv1_004467 CCOC(=O)c1c(C)n(c2ccc(OC)cc2)c3ccc(OC(=O)C#Cc4ccccc4)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 L02 compound treatment 0.257 0.0164 0.81 0.256 0.0218 1.12 1.3664 0.9871 1948497 ChemDiv1_004468 CCN(CC)c1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(F)cc3)c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 L03 compound treatment 0.256 0.0154 0.76 0.254 0.0198 1.02 1.2587 0.9895 1972482 ChemDiv1_004469 CCOC(=O)c1c(N/C=C/2\C(=NN(C2=O)c3ccc(C)cc3)C)scc1c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 L04 compound treatment 0.258 0.0174 0.86 0.259 0.0248 1.28 1.5104 0.9813 1670085 ChemDiv1_004470 CCOC(=O)C1=C(C)N=c2sc(=Cc3cn(CC=C)c4ccccc34)c(=O)n2C1c5ccc(OC)c(OC)c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 L05 compound treatment 0.253 0.0124 0.61 0.257 0.0228 1.17 1.2634 0.9539 1972483 ChemDiv1_004471 NNC(=O)CSc1nc2scc(c3ccccc3)c2c(=O)n1c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 L06 compound treatment 0.271 0.0304 1.5 0.269 0.0348 1.79 2.3272 0.9961 1130488 ChemDiv1_004472 CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OC)c3OC)c(=O)n2C1c4cc(OC)ccc4OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 L07 compound treatment 0.279 0.0384 1.89 0.271 0.0368 1.9 2.6786 1.0 1343629 ChemDiv1_004473 Cn1c(=O)n(C)c2nc(NC3CCCCC3)n(Cc4cccc(Br)c4)c2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 L08 compound treatment 0.326 0.0854 4.21 0.3 0.0658 3.39 5.3711 0.9942 1725771 ChemDiv1_004474 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(OC)cc3OC)c(=O)n2C1c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 L09 compound treatment 0.261 0.0204 1.01 0.26 0.0258 1.33 1.6513 0.9906 1463143 ChemDiv1_004475 Cn1c(=O)n(C)c2nc(NCc3ccccc3)n(Cc4ccccc4Br)c2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 L10 compound treatment 0.251 0.0104 0.51 0.254 0.0198 1.02 1.0846 0.9496 1524465 ChemDiv1_004476 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(o3)N(C)C)c(=O)n2C1c4c(OC)ccc5ccccc45 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 L11 compound treatment 0.295 0.0544 2.68 0.299 0.0648 3.34 4.2551 0.9941 1714209 ChemDiv1_004477 Cn1c(=O)n(C)c2nc(NCc3ccco3)n(Cc4ccc(Br)cc4)c2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 L12 compound treatment 0.296 0.0554 2.73 0.29 0.0558 2.87 3.9623 0.9997 1704027 ChemDiv1_004478 CCOC(=O)C1=C(C)N=c2sc(=Cc3cn(CC=C)c4ccccc34)c(=O)n2C1c5ccc(OC)cc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 L13 compound treatment 0.265 0.0244 1.2 0.266 0.0318 1.64 2.009 0.9885 1188386 ChemDiv1_004479 Cn1c(=O)n(C)c2nc(NCc3ccc4OCOc4c3)n(Cc5ccc(Cl)cc5Cl)c2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 L14 compound treatment 0.255 0.0144 0.71 0.256 0.0218 1.12 1.2967 0.9757 1931218 ChemDiv1_004480 CCN(CC)c1ccc(C=c2sc3=NC(=C(C(c4ccc(OC)cc4OC)n3c2=O)C(=O)C)C)c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 L15 compound treatment 0.257 0.0164 0.81 0.255 0.0208 1.07 1.3299 0.9904 1508793 ChemDiv1_004481 Cn1c(=O)n(C)c2nc(NCc3ccc4OCOc4c3)n(Cc5cccc6ccccc56)c2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 L16 compound treatment 0.266 0.0254 1.25 0.277 0.0428 2.2 2.4442 0.9642 1972484 ChemDiv1_004482 COc1ccc2ccccc2c1C3C(=C(C)N=c4sc(=Cc5ccc(cc5)N(C)C)c(=O)n34)C(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 L17 compound treatment 0.265 0.0244 1.2 0.266 0.0318 1.64 2.009 0.9885 1972485 ChemDiv1_004483 CC(=O)Nc1nc2ccccc2n1CC=C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 L18 compound treatment 0.268 0.0274 1.35 0.273 0.0388 2.0 2.3683 0.9819 1972486 ChemDiv1_004484 CCOc1ccc(cc1)N(CC(=O)Nc2ccc3OCOc3c2)S(=O)(=O)c4ccc(SC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 L19 compound treatment 0.269 0.0284 1.4 0.269 0.0348 1.79 2.2575 0.9926 1972487 ChemDiv1_004485 Brc1ccc(cc1)c2nc3sc4CCCCc4c3c(=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 L20 compound treatment 0.278 0.0374 1.84 0.269 0.0348 1.79 2.5709 0.9999 1972488 ChemDiv1_004486 COc1ccc(cc1OC)S(=O)(=O)N(CC(=O)NCCSCc2ccccc2)c3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 L21 compound treatment 0.252 0.0114 0.56 0.253 0.0188 0.97 1.083 0.9667 1972489 ChemDiv1_004487 COc1cc(OC)c(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(Cl)cc3)cc1Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 L22 compound treatment 0.314 0.0734 3.62 0.303 0.0688 3.54 5.0624 0.9999 1783360 ChemDiv1_004488 COc1ccc(N(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c3ccccc3[N+](=O)[O-])c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 L23 mock treatment 0.255 0.0144 0.71 0.255 0.0208 1.07 1.2603 0.9801 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 L24 mock treatment 0.243 0.00243 0.12 0.223 -0.0112 -0.58 -0.3225 -0.5482 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 M01 compound treatment 0.231 -0.00957 -0.47 0.22 -0.0142 -0.73 -0.8496 -0.9775 1972490 ChemDiv1_004489 OC(=O)c1ccc(NC(=O)CCN2C(=O)c3ccc(cc3C2=O)[N+](=O)[O-])cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 M02 compound treatment 0.255 0.0144 0.71 0.253 0.0188 0.97 1.1875 0.9884 1972491 ChemDiv1_004490 [O-][N+](=O)c1ccc(cc1)c2ccc(/C=C/3\SC(=S)N(NC(=O)c4ccccc4[N+](=O)[O-])C3=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 M03 compound treatment 0.257 0.0164 0.81 0.259 0.0248 1.28 1.4756 0.9758 1972492 ChemDiv1_004491 CCOc1cc(/C=C\2/SC(=O)NC2=O)ccc1Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 M04 compound treatment 0.263 0.0224 1.1 0.263 0.0288 1.48 1.8301 0.9895 1972493 ChemDiv1_004492 Cc1cccc(/N=C/2\NC(=O)\C(=C/3\C(=O)Nc4ccc(Br)cc34)\S2)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 M05 compound treatment 0.303 0.0624 3.08 0.269 0.0348 1.79 3.4416 0.967 1972494 ChemDiv1_004493 CN1C(=O)N(C)C(=O)C(=Cc2cc(Br)ccc2OCc3ccccc3)C1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 M06 compound treatment 0.273 0.0324 1.6 0.284 0.0498 2.56 2.9429 0.9741 1972495 ChemDiv1_004494 Clc1ccc(CC2S/C(=N/c3ccc(Cl)cc3)/NC2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 M07 compound treatment 0.258 0.0174 0.86 0.254 0.0198 1.02 1.3284 0.9963 1972496 ChemDiv1_004495 CN1C(=O)N(C)C(=O)C(=Cc2ccccc2OS(=O)(=O)c3ccccc3)C1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 M08 compound treatment 0.268 0.0274 1.35 0.268 0.0338 1.74 2.1863 0.9922 1972497 ChemDiv1_004496 Oc1ccc2c(=O)c(c3ccccc3Cl)c(oc2c1CN4CCOCC4)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 M09 compound treatment 0.318 0.0774 3.81 0.304 0.0698 3.59 5.2381 0.9996 1972498 ChemDiv1_004497 Oc1ccc(Br)cc1/C=C\2/S/C(=N/c3ccccc3)/NC2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 M10 compound treatment 0.262 0.0214 1.06 0.26 0.0258 1.33 1.6861 0.9935 1972499 ChemDiv1_004498 [O-][N+](=O)c1cccc(N/C=C\2/Sc3ccccc3C2=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 M11 compound treatment 0.376 0.135 6.67 0.361 0.127 6.53 9.333 0.9999 1972500 ChemDiv1_004499 CCOc1cc(/C=C\2/S/C(=N/c3ccccc3)/NC2=O)ccc1OCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 M12 compound treatment 0.531 0.29 14.3 0.561 0.327 16.82 22.0117 0.9967 1972501 ChemDiv1_004500 C/C(=C/1\Sc2ccccc2C1=O)/NC3CCCCC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 M13 compound treatment 0.252 0.0114 0.56 0.26 0.0258 1.33 1.3378 0.927 1511652 ChemDiv1_004501 COc1cc(C=O)ccc1Oc2nc(nc(n2)N3CCOCC3)N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 M14 compound treatment 0.358 0.117 5.78 0.361 0.127 6.53 8.7061 0.9982 1972502 ChemDiv1_004502 C/C(=C/1\Sc2ccccc2C1=O)/Nc3cccc(O)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 M15 compound treatment 0.302 0.0614 3.03 0.294 0.0598 3.08 4.3169 1.0 1972503 ChemDiv1_004503 COc1cc(/C=C\2/S/C(=N/c3ccccc3Cl)/NC2=O)cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 M16 compound treatment 0.279 0.0384 1.89 0.285 0.0508 2.62 3.1882 0.9874 1972504 ChemDiv1_004504 CN(/C=C/1\Sc2ccccc2C1=O)C(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 M17 compound treatment 0.274 0.0334 1.65 0.281 0.0468 2.41 2.8685 0.9828 1972505 ChemDiv1_004505 Brc1ccc(OCc2cccc3ccccc23)c(/C=C\4/NC(=S)NC4=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 M18 compound treatment 0.256 0.0154 0.76 0.258 0.0238 1.23 1.4043 0.9736 1972506 ChemDiv1_004506 Brc1cccc(c1)c2nc3scc(c4ccccc4)c3c(=O)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 M19 compound treatment 0.252 0.0114 0.56 0.249 0.0148 0.76 0.9374 0.9889 1972507 ChemDiv1_004507 Fc1ccc(cc1)c2csc3nc(SCC(=O)Nc4ccc5OCOc5c4)n(CC=C)c(=O)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 M20 compound treatment 0.254 0.0134 0.66 0.254 0.0198 1.02 1.1891 0.978 1972508 ChemDiv1_004508 CCc1nc2scc(c3ccc(Br)cc3)c2c(=O)o1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 M21 compound treatment 0.26 0.0194 0.96 0.259 0.0248 1.28 1.58 0.9899 1972509 ChemDiv1_004509 COc1ccccc1c2c(oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 M22 compound treatment 0.252 0.0114 0.56 0.253 0.0188 0.97 1.083 0.9667 1972510 ChemDiv1_004510 O=c1oc(CCCCc2nc3sc4CCCCc4c3c(=O)o2)nc5sc6CCCCc6c15 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 M23 mock treatment 0.249 0.00843 0.42 0.247 0.0128 0.66 0.7601 0.9751 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 M24 mock treatment 0.22 -0.0206 -1.01 0.226 -0.00819 -0.42 -1.0143 -0.9245 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 N01 compound treatment 0.235 -0.00557 -0.27 0.224 -0.0102 -0.52 -0.5647 -0.9542 1458021 ChemDiv1_004511 CCOC(=O)c1c(C)n(c2ccc(OC)cc2)c3cc(Br)c(OC)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 N02 compound treatment 0.25 0.00943 0.46 0.25 0.0158 0.81 0.9041 0.9646 1972511 ChemDiv1_004512 COc1cc(ccc1c2ccc(/C=C/3\C(=O)NC(=S)N(C3=O)c4ccccc4)o2)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 N03 compound treatment 0.252 0.0114 0.56 0.252 0.0178 0.92 1.0466 0.9726 1972512 ChemDiv1_004513 CCOC(=O)c1c(N/C=C/2\C(=NN(C2=O)c3ccc(C)cc3)C)sc(C)c1c4ccc5cc(OC)ccc5c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 N04 compound treatment 0.25 0.00943 0.46 0.252 0.0178 0.92 0.977 0.9504 1447307 ChemDiv1_004514 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(cc3)C(=O)OC)c(=O)n2C1c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 N05 compound treatment 0.268 0.0274 1.35 0.268 0.0338 1.74 2.1863 0.9922 1972513 ChemDiv1_004515 CC/1=NN(C(=O)\C1=C/Nc2cc(cc(c2O)C(C)(C)C)C(C)(C)C)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 N06 compound treatment 0.298 0.0574 2.83 0.292 0.0578 2.98 4.1047 0.9997 1972514 ChemDiv1_004516 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2C1c4cc(OC)ccc4OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 N07 compound treatment 0.258 0.0174 0.86 0.258 0.0238 1.23 1.474 0.9848 1510773 ChemDiv1_004517 CC1CCN(CC1)c2nc3n(C)c(=O)n(C)c(=O)c3n2Cc4cccc(Br)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 N08 compound treatment 0.348 0.107 5.29 0.35 0.116 5.96 7.9574 0.9982 1286217 ChemDiv1_004518 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(OC)c3)c(=O)n2C1c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 N09 compound treatment 0.27 0.0294 1.45 0.267 0.0328 1.69 2.2195 0.9971 1457126 ChemDiv1_004519 Cn1c(=O)n(C)c2nc(NCc3ccc4OCOc4c3)n(Cc5ccccc5Br)c2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 N10 compound treatment 0.279 0.0384 1.89 0.28 0.0458 2.36 3.0062 0.9941 1570438 ChemDiv1_004520 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(o3)N(C)C)c(=O)n2C1c4ccc(OC)cc4OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 N11 compound treatment 0.272 0.0314 1.55 0.267 0.0328 1.69 2.2892 0.9991 1469965 ChemDiv1_004521 Cn1c(=O)n(C)c2nc(NCc3ccccc3)n(Cc4ccc(Br)cc4)c2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 N12 compound treatment 0.272 0.0314 1.55 0.272 0.0378 1.95 2.4712 0.9936 1702217 ChemDiv1_004522 CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OC)c3OC)c(=O)n2C1c4ccc5OCOc5c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 N13 compound treatment 0.255 0.0144 0.71 0.257 0.0228 1.17 1.3331 0.9711 1972515 ChemDiv1_004523 Cn1c(=O)n(C)c2nc(NCCOCCO)n(Cc3ccc(Cl)c(Cl)c3)c2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 N14 compound treatment 0.279 0.0384 1.89 0.287 0.0528 2.72 3.261 0.9843 1972516 ChemDiv1_004524 COc1ccc(C2C(=C(C)N=c3sc(=Cc4cc(C)n(c4C)c5ccccc5)c(=O)n23)C(=O)C)c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 N15 compound treatment 0.372 0.131 6.47 0.382 0.148 7.61 9.9582 0.9968 1218930 ChemDiv1_004525 CCn1c2ccccc2c3nc4cc(OC)c(OC)cc4nc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 N16 compound treatment 0.266 0.0254 1.25 0.275 0.0408 2.1 2.3714 0.9695 1972517 ChemDiv1_004526 COc1ccc(C=c2sc3=NC(=C(C(c4c(OC)ccc5ccccc45)n3c2=O)C(=O)C)C)c(OC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 N17 compound treatment 0.256 0.0154 0.76 0.257 0.0228 1.17 1.3679 0.9778 1232486 ChemDiv1_004527 CC(=O)Nc1nc2ccccc2n1Cc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 N18 compound treatment 0.275 0.0344 1.7 0.276 0.0418 2.15 2.7213 0.993 1972518 ChemDiv1_004528 CCOc1ccc(cc1)N(CC(=O)NCCc2ccc(OC)c(OC)c2)S(=O)(=O)c3ccc(SC)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 N19 compound treatment 0.252 0.0114 0.56 0.25 0.0158 0.81 0.9738 0.9838 1701332 ChemDiv1_004529 Clc1ccc(OCc2nc3ccccc3c(=O)n2c4ccc(Br)cn4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 N20 compound treatment 0.289 0.0484 2.39 0.281 0.0468 2.41 3.3909 1.0 1972519 ChemDiv1_004530 COc1ccc(cc1OC)S(=O)(=O)N(CC(=O)Nc2cccc(c2)C(F)(F)F)c3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 N21 compound treatment 0.298 0.0574 2.83 0.301 0.0668 3.44 4.4324 0.9953 1972520 ChemDiv1_004531 CCOc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(Cl)cc3)c(OCC)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 N22 compound treatment 0.246 0.00543 0.27 0.248 0.0138 0.71 0.692 0.9109 1972521 ChemDiv1_004532 COc1ccc(Cl)cc1N(CC(=O)NCc2ccccn2)S(=O)(=O)c3ccc(C)c(c3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 N23 mock treatment 0.249 0.00843 0.42 0.252 0.0178 0.92 0.9421 0.9359 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 N24 mock treatment 0.225 -0.0156 -0.77 0.222 -0.0122 -0.63 -0.9858 -0.995 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 O01 compound treatment 0.211 -0.0296 -1.46 0.215 -0.0192 -0.99 -1.7282 -0.9821 1201459 ChemDiv1_004533 OC(=O)c1cc(NC(=O)c2ccc(cc2)N3C(=O)C4C5CC(C=C5)C4C3=O)cc(c1)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 O02 compound treatment 0.243 0.00243 0.12 0.245 0.0108 0.56 0.4783 0.8401 1942909 ChemDiv1_004534 CCOc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)/N(C2=O)c4ccccc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 O03 compound treatment 0.267 0.0264 1.3 0.262 0.0278 1.43 1.933 0.9989 1972522 ChemDiv1_004535 Oc1c(Br)cc(/C=C\2/SC(=S)N(C2=O)c3ccc(cc3)[N+](=O)[O-])cc1[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 O04 compound treatment 0.25 0.00943 0.46 0.249 0.0148 0.76 0.8677 0.9718 1972523 ChemDiv1_004536 Cc1ccc(/N=C/2\NC(=O)\C(=C/3\C(=O)Nc4ccc(Br)cc34)\S2)cc1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 O05 compound treatment 0.26 0.0194 0.96 0.265 0.0308 1.59 1.7985 0.9707 1972524 ChemDiv1_004537 Clc1ccc(COc2ccccc2/C=C\3/C(=O)NC(=O)N(CC=C)C3=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 O06 compound treatment 0.264 0.0234 1.15 0.271 0.0368 1.9 2.1562 0.9717 1972525 ChemDiv1_004538 Brc1ccc(CC2S/C(=N/c3ccccn3)/NC2=O)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 O07 compound treatment 0.325 0.0844 4.16 0.331 0.0968 4.98 6.4648 0.9959 1972526 ChemDiv1_004539 CCOc1cc(/C=C\2/SC(=S)N(CC(=O)O)C2=O)ccc1Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 O08 compound treatment 0.259 0.0184 0.91 0.254 0.0198 1.02 1.3632 0.9983 1972527 ChemDiv1_004540 CN1CCN(Cc2c(O)ccc3c(=O)c(c4ccccc4Cl)c(oc23)C(F)(F)F)CC1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 O09 compound treatment 0.334 0.0934 4.6 0.334 0.0998 5.14 6.8874 0.9985 1972528 ChemDiv1_004541 Oc1c(Cl)cc(Br)cc1/C=C\2/S/C(=N/c3ccccc3)/NC2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 O10 compound treatment 0.482 0.241 11.89 0.494 0.26 13.38 17.8662 0.9983 1972529 ChemDiv1_004542 O=C1/C(=C\Nc2cccnc2)/Sc3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 O11 compound treatment 0.331 0.0904 4.45 0.357 0.123 6.32 7.6202 0.9853 1972530 ChemDiv1_004543 CCOc1cc(/C=C\2/S/C(=N/c3ccccc3)/NC2=O)ccc1OCC=C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 O12 compound treatment 0.282 0.0414 2.04 0.287 0.0528 2.72 3.3655 0.99 1972531 ChemDiv1_004544 C/C(=C/1\Sc2ccccc2C1=O)/Nc3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 O13 compound treatment 0.246 0.00543 0.27 0.252 0.0178 0.92 0.8376 0.8769 1972532 ChemDiv1_004545 COc1cc(/C=C\2/NC(=S)NC2=O)cc(Br)c1OC(=O)C3(CC4CC5CC(C4)C3)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 O14 compound treatment 0.275 0.0344 1.7 0.259 0.0248 1.28 2.1024 0.9902 1972533 ChemDiv1_004546 C/C(=C/1\Sc2ccccc2C1=O)/Nc3cccc4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 O15 compound treatment 0.358 0.117 5.78 0.345 0.111 5.7 8.1237 1.0 1972534 ChemDiv1_004547 COc1ccccc1/C=C\2/S/C(=N/c3ccccc3Cl)/NC2=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 O16 compound treatment 0.33 0.0894 4.4 0.338 0.104 5.34 6.8937 0.9954 1972535 ChemDiv1_004548 COc1ccc(cc1)N(/C=C/2\Sc3ccccc3C2=O)C(=O)c4ccco4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 O17 compound treatment 0.252 0.0114 0.56 0.252 0.0178 0.92 1.0466 0.9726 1972536 ChemDiv1_004549 CN1C(=O)N(C)C(=O)C(=Cc2ccccc2OS(=O)(=O)c3ccccc3[N+](=O)[O-])C1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 O18 compound treatment 0.247 0.00643 0.32 0.25 0.0158 0.81 0.7997 0.9154 1972537 ChemDiv1_004550 Cc1ccc(cc1)c2csc3nc(oc(=O)c23)c4cccc(Br)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 O19 compound treatment 0.244 0.00343 0.17 0.248 0.0138 0.71 0.6224 0.8515 1522963 ChemDiv1_004551 c1ccc(cc1)c2nnc(n3nnc4ccccc34)c5ccccc25 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 O20 compound treatment 0.249 0.00843 0.42 0.249 0.0148 0.76 0.8329 0.9592 1472035 ChemDiv1_004552 CCc1nc2scc(c3cccs3)c2c(=O)o1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 O21 compound treatment 0.25 0.00943 0.46 0.243 0.00881 0.45 0.6493 0.9999 1923861 ChemDiv1_004553 COc1ccccc1c2c(oc3cc(OC(=O)c4ccco4)ccc3c2=O)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 O22 compound treatment 0.261 0.0204 1.01 0.26 0.0258 1.33 1.6513 0.9906 1463297 ChemDiv1_004554 CCOC(=O)c1c(C)n(c2ccc(I)cc2)c3ccc(O)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 O23 mock treatment 0.249 0.00843 0.42 0.245 0.0108 0.56 0.6873 0.9896 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 O24 mock treatment 0.223 -0.0176 -0.87 0.199 -0.0352 -1.81 -1.8927 -0.9428 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 P01 compound treatment 0.179 -0.0616 -3.03 0.188 -0.0462 -2.38 -3.8255 -0.9928 1972538 ChemDiv1_004555 CCOC(=O)c1c(N/C=C/2\N=C(OC2=O)c3ccccc3)scc1c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 P02 compound treatment 0.209 -0.0316 -1.55 0.219 -0.0152 -0.78 -1.6522 -0.9494 1972539 ChemDiv1_004556 COc1cc(/C=C/2\Sc3ccccc3C2=O)c(Br)cc1OCc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 P03 compound treatment 0.227 -0.0136 -0.67 0.232 -0.00219 -0.11 -0.5521 -0.8148 1444873 ChemDiv1_004557 CCOC(=O)c1c(NC(=O)c2cc3ccccc3oc2=O)scc1c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 P04 compound treatment 0.231 -0.00957 -0.47 0.231 -0.00319 -0.16 -0.4492 -0.9003 1249662 ChemDiv1_004558 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)ccc3OC)c(=O)n2C1c4ccc(SC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 P05 compound treatment 0.225 -0.0156 -0.77 0.236 0.00181 0.09 -0.4762 -0.6165 1218907 ChemDiv1_004559 Cn1c(=O)n(C)c2nc(N3CCN(Cc4ccccc4)CC3)n(Cc5cccc(Cl)c5)c2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 P06 compound treatment 0.203 -0.0376 -1.85 0.238 0.00381 0.2 -1.1695 -0.6286 1565872 ChemDiv1_004560 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(SC)cc3)c(=O)n2C1c4cc(OC)ccc4OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 P07 compound treatment 0.22 -0.0206 -1.01 0.209 -0.0252 -1.3 -1.6332 -0.9925 1548199 ChemDiv1_004561 Cn1c(=O)n(C)c2nc(NCc3ccc4OCOc4c3)n(Cc5cccc(Cl)c5)c2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 P08 compound treatment 0.207 -0.0336 -1.65 0.227 -0.00719 -0.37 -1.4307 -0.8445 1614452 ChemDiv1_004562 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3O)c(=O)n2C1c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 P09 compound treatment 0.233 -0.00757 -0.37 0.219 -0.0152 -0.78 -0.8164 -0.9426 1690412 ChemDiv1_004563 COc1ccc(CCNc2nc3n(C)c(=O)n(C)c(=O)c3n2Cc4cccc(Br)c4)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 P10 compound treatment 0.214 -0.0266 -1.31 0.238 0.00381 0.2 -0.7865 -0.5944 1204469 ChemDiv1_004564 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(SC)cc3)c(=O)n2C1c4ccc(OC)cc4OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 P11 compound treatment 0.208 -0.0326 -1.6 0.212 -0.0222 -1.14 -1.9419 -0.9862 1643100 ChemDiv1_004565 Cn1c(=O)n(C)c2nc(NCCc3ccccc3)n(Cc4ccc(Br)cc4)c2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 P12 compound treatment 0.206 -0.0346 -1.7 0.216 -0.0182 -0.94 -1.8659 -0.9603 1325001 ChemDiv1_004566 CCOC(=O)C1=C(C)N=c2sc(=Cc3cn(CC=C)c4ccccc34)c(=O)n2C1c5ccc6OCOc6c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 P13 compound treatment 0.204 -0.0366 -1.8 0.219 -0.0152 -0.78 -1.8264 -0.9302 1339246 ChemDiv1_004567 CN1CCN(CC1)c2nc3n(C)c(=O)n(C)c(=O)c3n2Cc4ccc(Cl)c(Cl)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 P14 compound treatment 0.239 -0.00157 -0.08 0.252 0.0178 0.92 0.5939 0.6453 1209999 ChemDiv1_004568 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OCC)c3)c(=O)n2C1c4ccc(OC)cc4OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 P15 compound treatment 0.398 0.157 7.75 0.402 0.168 8.64 11.5917 0.9985 1648069 ChemDiv1_004569 COc1cc2nc3n(C(C)C)c4ccccc4c3nc2cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 P16 compound treatment 0.243 0.00243 0.12 0.266 0.0318 1.64 1.2428 0.7568 1972540 ChemDiv1_004570 COc1ccccc1C2C(=C(C)N=c3sc(=Cc4cc(OC)c(OC)c(OC)c4)c(=O)n23)C(=O)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 P17 compound treatment 0.218 -0.0226 -1.11 0.222 -0.0122 -0.63 -1.2296 -0.9634 1409228 ChemDiv1_004571 CC(=O)Nc1nc2ccccc2n1Cc3ccccc3Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 P18 compound treatment 0.195 -0.0456 -2.24 0.234 -1.87E-4 -0.01 -1.5938 -0.7101 1204228 ChemDiv1_004572 COc1ccc(cc1OC)S(=O)(=O)N(CC(=O)Nc2c(C)n(C)n(c3ccccc3)c2=O)c4ccc(C)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 P19 compound treatment 0.208 -0.0326 -1.6 0.238 0.00381 0.2 -0.9954 -0.616 1938153 ChemDiv1_004573 CC1CCc2c(C1)sc3nc(oc(=O)c23)c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 P20 compound treatment 0.229 -0.0116 -0.57 0.247 0.0128 0.66 0.0636 0.0729 1972541 ChemDiv1_004574 [O-][N+](=O)c1cccc(c1)N(CC(=O)NCCSCc2ccc(Cl)cc2)S(=O)(=O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 P21 compound treatment 0.218 -0.0226 -1.11 0.214 -0.0202 -1.04 -1.5208 -0.9994 1972542 ChemDiv1_004575 COc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(Cl)cc3)c(cc1OC)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 P22 compound treatment 0.201 -0.0396 -1.95 0.228 -0.00619 -0.32 -1.6032 -0.8119 1949649 ChemDiv1_004576 COc1ccc(Cl)cc1N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c3ccc(C)c(c3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 P23 mock treatment 0.208 -0.0326 -1.6 0.211 -0.0232 -1.19 -1.9783 -0.9894 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.599 P24 mock treatment 0.206 -0.0346 -1.7 0.205 -0.0292 -1.5 -2.2663 -0.9981 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 A01 compound treatment 0.19 -0.049 -2.41 0.188 -0.0513 -2.64 -3.5716 -0.999 1951696 ChemDiv1_004577 COc1ccc(Cl)cc1N(CC(=O)NCCCC(C)(C)C2OCCO2)S(=O)(=O)c3ccc(C)c(c3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 A02 compound treatment 0.202 -0.037 -1.82 0.191 -0.0483 -2.48 -3.0444 -0.9883 1972543 ChemDiv1_004578 COc1ccc(cc1)N2C(=O)/C(=C\c3cc(Br)c(OC)c(OC)c3)/C(=O)NC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 A03 compound treatment 0.198 -0.041 -2.02 0.2 -0.0393 -2.02 -2.8561 -1.0 1972544 ChemDiv1_004579 C1C2CC3CC1CC(C2)C3Nc4nc5nonc5nc4NC6C7CC8CC(C7)CC6C8 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 A04 compound treatment 0.216 -0.023 -1.13 0.208 -0.0313 -1.61 -1.938 -0.9851 1972545 ChemDiv1_004580 O=C1N(CSc2nnc(o2)c3ccco3)c4ccccc4C1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 A05 compound treatment 0.219 -0.02 -0.98 0.208 -0.0313 -1.61 -1.8335 -0.972 1168209 ChemDiv1_004581 COc1cc(C=c2sc3nc4c(C)c(C)ccc4n3c2=O)ccc1OC(C)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 A06 compound treatment 0.215 -0.024 -1.18 0.207 -0.0323 -1.66 -2.0092 -0.986 1972546 ChemDiv1_004582 COc1ccc(cc1)S(=O)(=O)/N=C\2/NC(=O)/C(=C\c3cccnc3)/S2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 A07 compound treatment 0.203 -0.036 -1.77 0.206 -0.0333 -1.71 -2.4636 -0.9999 1972547 ChemDiv1_004583 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)Cn4nc(cc4C(F)(F)F)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 A08 compound treatment 0.219 -0.02 -0.98 0.206 -0.0333 -1.71 -1.9063 -0.9653 1972548 ChemDiv1_004584 [O-][N+](=O)c1ccc2nc(nc(c3ccccc3)c2c1)N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 A09 compound treatment 0.273 0.034 1.68 0.267 0.0277 1.43 2.1949 0.9968 1972549 ChemDiv1_004585 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)/C=C/c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 A10 compound treatment 0.257 0.018 0.89 0.236 -0.00327 -0.17 0.5092 0.5632 1972550 ChemDiv1_004586 Fc1cccc(NC(=O)CCN2C(=O)/C(=C\c3cccs3)/SC2=S)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 A11 compound treatment 0.212 -0.027 -1.33 0.202 -0.0373 -1.92 -2.2957 -0.9839 1972551 ChemDiv1_004587 Fc1ccc(cc1)c2nc3ccccc3c(=O)n2NC(=O)c4cc5cc(Br)ccc5oc4=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 A12 compound treatment 0.32 0.081 3.99 0.303 0.0637 3.28 5.1422 0.9953 1972552 ChemDiv1_004588 OC(=O)CN1C(=O)/C(=C/2\SC(=NC2=O)Nc3cccc(Cl)c3Cl)/c4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 A13 compound treatment 0.223 -0.016 -0.79 0.21 -0.0293 -1.51 -1.6214 -0.954 1972553 ChemDiv1_004589 COC(=O)c1ccc(NC(=O)CSc2nnc(C)c3ccccc23)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 A14 compound treatment 0.211 -0.028 -1.38 0.229 -0.0103 -0.53 -1.3477 -0.9135 1972554 ChemDiv1_004590 COc1ccc(NC(=O)CN2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)/SC2=S)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 A15 compound treatment 0.251 0.012 0.59 0.255 0.0157 0.81 0.9919 0.9882 1595733 ChemDiv1_004591 Cc1nn(CC(=O)Nc2ccc(cc2)S(=O)(=O)N)c(=O)c3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 A16 compound treatment 0.224 -0.015 -0.74 0.22 -0.0193 -0.99 -1.2226 -0.9893 1972555 ChemDiv1_004592 O=C(CSc1nnc(CCCN2C(=O)c3cccc4cccc(C2=O)c34)n1c5ccccc5)N6CCCCC6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 A17 compound treatment 0.226 -0.013 -0.64 0.221 -0.0183 -0.94 -1.1165 -0.9822 1570540 ChemDiv1_004593 COc1nnc(c2ccc(C)cc2)c3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 A18 compound treatment 0.214 -0.025 -1.23 0.209 -0.0303 -1.56 -1.9713 -0.9931 1972556 ChemDiv1_004594 CCOC(=O)CSc1nnc(CCN2C(=O)c3cccc4cccc(C2=O)c34)n1c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 A19 compound treatment 0.221 -0.018 -0.88 0.222 -0.0173 -0.89 -1.2542 -1.0 1972557 ChemDiv1_004595 COc1cc(/C=C\2/C(=O)NC(=S)N(C2=O)c3ccc(Cl)cc3)ccc1OCC=C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 A20 compound treatment 0.261 0.022 1.09 0.273 0.0337 1.74 1.9954 0.9744 1972558 ChemDiv1_004596 Cc1ccccc1C2C(C#N)C(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 A21 compound treatment 0.208 -0.031 -1.53 0.213 -0.0263 -1.35 -2.0346 -0.9982 1946655 ChemDiv1_004597 COc1ccc(/C=C\2/C(=C(C#N)c3nc(N)c(C#N)c(C)c23)C)cc1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 A22 compound treatment 0.202 -0.037 -1.82 0.213 -0.0263 -1.35 -2.2436 -0.9893 1972559 ChemDiv1_004598 Cc1onc(c1C(=O)Nc2nnc(s2)c3cccc(c3)[N+](=O)[O-])c4ccccc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 A23 mock treatment 0.214 -0.025 -1.23 0.205 -0.0343 -1.76 -2.1169 -0.9844 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 A24 mock treatment 0.195 -0.044 -2.17 0.186 -0.0533 -2.74 -3.4702 -0.9932 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 B01 compound treatment 0.217 -0.022 -1.08 0.203 -0.0363 -1.87 -2.0852 -0.9663 1972560 ChemDiv1_004599 CCC(=O)N1N=C(CC1c2ccccc2OC)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 B02 compound treatment 0.259 0.02 0.99 0.258 0.0187 0.96 1.3797 0.9999 1940813 ChemDiv1_004600 OCCCNC(=O)CCCSc1nc2sc3CCCCc3c2c(=O)[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 B03 compound treatment 0.259 0.02 0.99 0.259 0.0197 1.02 1.4161 0.9999 1303907 ChemDiv1_004601 Clc1ccc(cc1)n2nc3CSCc3c2NC(=O)c4ccc(cc4)S(=O)(=O)N5CCCCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 B04 compound treatment 0.257 0.018 0.89 0.258 0.0187 0.96 1.31 0.9992 1527431 ChemDiv1_004602 CC1CC(C)CN(C1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc(cs3)c4cc5ccccc5oc4=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 B05 compound treatment 0.257 0.018 0.89 0.257 0.0177 0.91 1.2736 0.9999 1466106 ChemDiv1_004603 CN1CCN(CC1)c2nc3n(C)c(=O)n(C)c(=O)c3n2Cc4cccc(Br)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 B06 compound treatment 0.251 0.012 0.59 0.252 0.0127 0.66 0.8826 0.9987 1972561 ChemDiv1_004604 O=C(CN1C(=O)c2ccccc2C1=O)N3CCN(CCN4C(=O)c5cccc6cccc(C4=O)c56)CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 B07 compound treatment 0.268 0.029 1.43 0.259 0.0197 1.02 1.7295 0.986 1972562 ChemDiv1_004605 [O-][N+](=O)c1ccccc1C2CC(=O)NC(=C2C#N)SCC(=O)OCc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 B08 compound treatment 0.307 0.068 3.35 0.302 0.0627 3.23 4.6531 0.9998 1634578 ChemDiv1_004606 COc1ccc(cc1)c2csc3[nH]c(=S)n(CC=C)c(=O)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 B09 compound treatment 0.328 0.089 4.39 0.32 0.0807 4.16 6.0397 0.9996 1972563 ChemDiv1_004607 CCOC(=O)CSc1nc(N)c(C#N)c(c1C#N)c2ccc(OCC)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 B10 compound treatment 0.257 0.018 0.89 0.254 0.0147 0.76 1.1644 0.9969 1606278 ChemDiv1_004608 OCCNC(=O)CSc1nc2sc3CCCCc3c2c(=O)n1CC=C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 B11 compound treatment 0.258 0.019 0.94 0.257 0.0177 0.91 1.3084 0.9999 1490483 ChemDiv1_004609 COc1ccc(cc1)c2c(C#N)c(N)nc3sc(C(=O)c4ccccc4)c(N)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 B12 compound treatment 0.257 0.018 0.89 0.254 0.0147 0.76 1.1644 0.9969 1634864 ChemDiv1_004610 C=CCn1c(SCC(=O)N2CCCCC2)nc3sc4CCCc4c3c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 B13 compound treatment 0.269 0.03 1.48 0.267 0.0277 1.43 2.0556 0.9998 1972564 ChemDiv1_004611 [O-][N+](=O)c1cccc(c1)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 B14 compound treatment 0.254 0.015 0.74 0.255 0.0157 0.81 1.0963 0.999 1940912 ChemDiv1_004612 C=CCn1c(SCC(=O)NCCCN2CCOCC2)nc3sc4CCCCc4c3c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 B15 compound treatment 0.26 0.021 1.04 0.26 0.0207 1.07 1.4873 0.9999 1972565 ChemDiv1_004613 COC(=O)CSC1=C(C#N)C(CC(=O)N1)c2cc(Br)c(O)c(OC)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 B16 compound treatment 0.258 0.019 0.94 0.261 0.0217 1.12 1.4541 0.9961 1972566 ChemDiv1_004614 Cc1nn(C(=O)c2sc3ccccc3c2Cl)c(C)c1Sc4ccccc4[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 B17 compound treatment 0.262 0.023 1.13 0.264 0.0247 1.27 1.7026 0.9983 1372303 ChemDiv1_004615 Brc1ccc(NC(=O)c2cc3ccccc3oc2=O)c(c1)C(=O)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 B18 compound treatment 0.253 0.014 0.69 0.253 0.0137 0.71 0.9887 0.9999 1500447 ChemDiv1_004616 CCN1C(=O)c2cccc3c(NC(=O)c4cc(nc5ccccc45)c6cccs6)ccc1c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 B19 compound treatment 0.254 0.015 0.74 0.253 0.0137 0.71 1.0235 0.9997 1610800 ChemDiv1_004617 O=C(Nc1nc2c(ccc3ccccc23)s1)c4cc(=O)c5ccccc5o4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 B20 compound treatment 0.265 0.026 1.28 0.267 0.0277 1.43 1.9163 0.9986 1273021 ChemDiv1_004618 COc1ccc(OC)c(c1)C2CC(=NN2C(=O)CCCC(=O)O)c3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 B21 compound treatment 0.253 0.014 0.69 0.252 0.0127 0.66 0.9523 0.9996 1972567 ChemDiv1_004619 COc1ccc(cc1)C2=NN(C(C2)c3cccc(c3)[N+](=O)[O-])S(=O)(=O)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 B22 compound treatment 0.255 0.016 0.79 0.257 0.0177 0.91 1.204 0.9974 1599333 ChemDiv1_004620 COc1ccc(cc1)C2=NN(C(C2)c3ccccc3Cl)C(=O)CCCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 B23 mock treatment 0.243 0.00403 0.2 0.244 0.00473 0.24 0.3128 0.9949 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 B24 mock treatment 0.221 -0.018 -0.88 0.223 -0.0163 -0.84 -1.2178 -0.9996 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 C01 compound treatment 0.226 -0.013 -0.64 0.204 -0.0353 -1.82 -1.7353 -0.9017 1716490 ChemDiv1_004621 CN(C)c1nc(N)nc2ncn(C)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 C02 compound treatment 0.242 0.00303 0.15 0.243 0.00373 0.19 0.2416 0.9923 1924398 ChemDiv1_004622 COc1ccc(cc1)N2C(=O)/C(=C/c3ccc(o3)c4cc(ccc4Cl)C(=O)O)/C(=O)NC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 C03 compound treatment 0.238 -9.66E-4 -0.05 0.239 -2.67E-4 -0.01 -0.0433 -0.8755 1339681 ChemDiv1_004623 COc1cc(ccc1OC(=O)N(C)C)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 C04 compound treatment 0.33 0.091 4.48 0.338 0.0987 5.08 6.7646 0.998 1972568 ChemDiv1_004624 COc1cccc(c1)C(=O)/C=C\Nc2ccc(cc2)S(=O)(=O)Nc3nc(C)cc(C)n3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 C05 compound treatment 0.25 0.011 0.54 0.25 0.0107 0.55 0.775 1.0 1972569 ChemDiv1_004625 CCOC(=O)c1ccc(Nc2nc3nonc3nc2NOC(=O)C)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 C06 compound treatment 0.243 0.00403 0.2 0.245 0.00573 0.3 0.3492 0.9815 1972570 ChemDiv1_004626 Cc1ccc(cc1)S(=O)(=O)N2C(=O)/C(=C/3\SC(=S)N(CC=C)C3=O)/c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 C07 compound treatment 0.275 0.036 1.77 0.277 0.0377 1.94 2.6286 0.999 1241444 ChemDiv1_004627 COc1cccc(c1)c2nc3ccccc3c(=O)n2NC(=O)COc4ccc(Cl)cc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 C08 compound treatment 0.417 0.178 8.77 0.397 0.158 8.12 11.9423 0.9993 1972571 ChemDiv1_004628 CC(N)C(=O)N1CCN(CC1)c2nc(c3ccccc3)c4cc(ccc4n2)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 C09 compound treatment 0.241 0.00203 0.1 0.243 0.00373 0.19 0.2068 0.9539 1972572 ChemDiv1_004629 COc1cccc(c1)c2nc3ccccc3c(=O)n2NC(=O)Cn4nc(C)c([N+](=O)[O-])c4C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 C10 compound treatment 0.301 0.062 3.06 0.308 0.0687 3.54 4.6625 0.9973 1972573 ChemDiv1_004630 Fc1ccc(NC(=O)CCN2C(=O)/C(=C\c3cccs3)/SC2=S)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 C11 compound treatment 0.245 0.00603 0.3 0.242 0.00273 0.14 0.3097 0.9417 1714999 ChemDiv1_004631 COc1ccc(Br)c(c1)C(=O)Nn2c(nc3ccccc3c2=O)c4ccc(F)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 C12 compound treatment 0.305 0.066 3.25 0.302 0.0627 3.23 4.5834 1.0 1972574 ChemDiv1_004632 COc1ccccc1NC(=O)CCCN2C(=O)/C(=C/c3cccc(Br)c3)/SC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 C13 compound treatment 0.279 0.04 1.97 0.275 0.0357 1.84 2.6951 0.9994 1930575 ChemDiv1_004633 Cc1ccccc1NC(=O)CSc2nnc(C)c3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 C14 compound treatment 0.315 0.076 3.74 0.31 0.0707 3.64 5.2229 0.9999 1972575 ChemDiv1_004634 COc1cc(/C=C/2\SC(=S)N(CC(=O)Nc3ccccc3C(=O)O)C2=O)cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 C15 compound treatment 0.245 0.00603 0.3 0.243 0.00373 0.19 0.3461 0.9777 1972576 ChemDiv1_004635 CCOC(=O)Cn1nc(C)c2ccccc2c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 C16 compound treatment 0.256 0.017 0.84 0.256 0.0167 0.86 1.2024 0.9999 1972577 ChemDiv1_004636 O=C(CSc1nc2sc3CCCCc3c2c(=O)n1c4ccccc4)NCCCN5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 C17 compound treatment 0.257 0.018 0.89 0.255 0.0157 0.81 1.2008 0.9989 1547279 ChemDiv1_004637 COc1nnc(c2ccc(Cl)cc2)c3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 C18 compound treatment 0.267 0.028 1.38 0.263 0.0237 1.22 1.8403 0.9981 1508911 ChemDiv1_004638 COC(=O)c1ccc(CSc2nc3sc(C)c(C)c3c(=O)n2CC=C)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 C19 compound treatment 0.36 0.121 5.96 0.348 0.109 5.6 8.1734 0.9995 1972578 ChemDiv1_004639 OC(=O)c1ccccc1c2ccc(/C=C\3/C(=O)NC(=O)N(C3=O)c4ccccc4)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 C20 compound treatment 0.238 -9.66E-4 -0.05 0.243 0.00373 0.19 0.1023 0.5166 1524331 ChemDiv1_004640 COc1ccccc1C2C(C#N)C(=O)NC(=C2C#N)SCC(=O)OCc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 C21 compound treatment 0.244 0.00503 0.25 0.241 0.00173 0.09 0.2384 0.9048 1946942 ChemDiv1_004641 CC/1=C(C#N)c2nc(N)c(C#N)c(C)c2\C1=C\c3ccc(o3)c4ccccc4[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 C22 compound treatment 0.242 0.00303 0.15 0.239 -2.67E-4 -0.01 0.096 0.6395 1289875 ChemDiv1_004642 COc1cccc2sc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CC(C)CC(C)C4)nc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 C23 mock treatment 0.237 -0.00197 -0.1 0.239 -2.67E-4 -0.01 -0.0782 -0.7994 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 C24 mock treatment 0.223 -0.016 -0.79 0.232 -0.00727 -0.37 -0.8206 -0.9423 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 D01 compound treatment 0.23 -0.00897 -0.44 0.234 -0.00527 -0.27 -0.504 -0.9726 1972579 ChemDiv1_004643 CC(=O)N1N=C(CC1c2ccccc2F)c3c(c4ccccc4)c5cc(Br)ccc5[nH]c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 D02 compound treatment 0.249 0.01 0.49 0.249 0.00973 0.5 0.7038 1.0 1972580 ChemDiv1_004644 COc1ccccc1C2CC(=NN2C(=O)CCC(=O)O)c3c(c4ccccc4)c5cc(Br)ccc5[nH]c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 D03 compound treatment 0.257 0.018 0.89 0.254 0.0147 0.76 1.1644 0.9969 1155069 ChemDiv1_004645 COc1ccc(cc1)n2nc3CSCc3c2NC(=O)c4ccc(cc4)S(=O)(=O)N5CCCCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 D04 compound treatment 0.255 0.016 0.79 0.251 0.0117 0.6 0.9856 0.9912 1178343 ChemDiv1_004646 CC1CC(C)CN(C1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc4ccc5nc(C)sc5c4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 D05 compound treatment 0.257 0.018 0.89 0.255 0.0157 0.81 1.2008 0.9989 1164870 ChemDiv1_004647 CC(C)Sc1nc2n(C)c(=O)[nH]c(=O)c2n1CC(O)COc3ccccc3C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 D06 compound treatment 0.28 0.041 2.02 0.291 0.0517 2.66 3.3123 0.9907 1948716 ChemDiv1_004648 Fc1ccc(cc1)S(=O)(=O)N2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 D07 compound treatment 0.279 0.04 1.97 0.281 0.0417 2.15 2.9135 0.9991 1972581 ChemDiv1_004649 Clc1ccc(C2CC(=O)NC(=C2C#N)SCC(=O)OCc3ccccc3)c(Cl)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 D08 compound treatment 0.278 0.039 1.92 0.28 0.0407 2.1 2.8422 0.9991 1972582 ChemDiv1_004650 FC(F)(F)c1cccc(NC(=O)CSc2nnc3ccccn23)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 D09 compound treatment 0.322 0.083 4.09 0.325 0.0857 4.41 6.0127 0.9993 1972583 ChemDiv1_004651 CCCCOC(=O)CSc1nc(N)c(C#N)c(c1C#N)c2ccc(OCC)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 D10 compound treatment 0.263 0.024 1.18 0.253 0.0137 0.71 1.337 0.9696 1949763 ChemDiv1_004652 OC(=O)/C=C/c1ccc(cc1)S(=O)(=O)N2CCN(CCN3C(=O)C4C5CC(C=C5)C4C3=O)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 D11 compound treatment 0.28 0.041 2.02 0.29 0.0507 2.61 3.2759 0.992 1359872 ChemDiv1_004653 COc1ccc(cc1)c2c(C#N)c(N)nc3sc(C(=O)c4ccc(C)cc4)c(N)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 D12 compound treatment 0.277 0.038 1.87 0.27 0.0307 1.58 2.4434 0.9965 1395902 ChemDiv1_004654 C=CCn1c(SCC(=O)NCc2ccco2)nc3sc4CCCc4c3c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 D13 compound treatment 0.28 0.041 2.02 0.293 0.0537 2.77 3.3851 0.9881 1972584 ChemDiv1_004655 Clc1cccc(c1)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 D14 compound treatment 0.302 0.063 3.1 0.307 0.0677 3.49 4.661 0.9983 1972585 ChemDiv1_004656 OCCCNC(=O)c1ccc(CSc2nc3sc4CCCCc4c3c(=O)n2CC=C)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 D15 compound treatment 0.254 0.015 0.74 0.252 0.0127 0.66 0.9871 0.9982 1972586 ChemDiv1_004657 CCCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c2cc(Br)c(O)c(OC)c2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 D16 compound treatment 0.257 0.018 0.89 0.255 0.0157 0.81 1.2008 0.9989 1972587 ChemDiv1_004658 CC(C)N(C(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)o1)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 D17 compound treatment 0.264 0.025 1.23 0.263 0.0237 1.22 1.7358 1.0 1137778 ChemDiv1_004659 CCOC(=O)c1sc(cc1NC(=O)c2cc3ccccc3oc2=O)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 D18 compound treatment 0.288 0.049 2.42 0.28 0.0407 2.1 3.1905 0.9975 1257943 ChemDiv1_004660 CSc1nc2ccc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCOCC4)cc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 D19 compound treatment 0.254 0.015 0.74 0.253 0.0137 0.71 1.0235 0.9997 1559252 ChemDiv1_004661 O=C(Nc1nc(cs1)c2cc3ccccc3oc2=O)c4cc(=O)c5ccccc5o4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 D20 compound treatment 0.261 0.022 1.09 0.264 0.0247 1.27 1.6677 0.9968 1278691 ChemDiv1_004662 CN(C)c1ccc(cc1)C2CC(=NN2C(=O)CCCC(=O)O)c3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 D21 compound treatment 0.267 0.028 1.38 0.262 0.0227 1.17 1.8039 0.9966 1972588 ChemDiv1_004663 OC(=O)CCC(=O)N1N=C(CC1c2ccco2)c3c(O)nc4ccc(Br)cc4c3c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 D22 compound treatment 0.254 0.015 0.74 0.253 0.0137 0.71 1.0235 0.9997 1308274 ChemDiv1_004664 COc1ccc(cc1)C2=NN(C(C2)c3ccc(Cl)cc3)C(=O)CCCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 D23 mock treatment 0.252 0.013 0.64 0.248 0.00873 0.45 0.7719 0.9848 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 D24 mock treatment 0.241 0.00203 0.1 0.227 -0.0123 -0.63 -0.3757 -0.5876 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 E01 compound treatment 0.212 -0.027 -1.33 0.247 0.00773 0.4 -0.6576 -0.4743 1195375 ChemDiv1_004665 Cc1cc(C)n(n1)c2nc3nonc3nc2Nc4ccccc4C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 E02 compound treatment 0.255 0.016 0.79 0.253 0.0137 0.71 1.0584 0.9985 1972589 ChemDiv1_004666 O=C1C2C3CC(C=C3)C2C(=O)N1c4ccc(cc4)c5cnc(nc5)c6ccc(cc6)N7C(=O)C8C9CC(C=C9)C8C7=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 E03 compound treatment 0.25 0.011 0.54 0.248 0.00873 0.45 0.7022 0.9956 1689319 ChemDiv1_004667 COc1cc(C=c2sc3nc4ccccc4n3c2=O)cc(OC)c1OC(=O)N(C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 E04 compound treatment 0.254 0.015 0.74 0.257 0.0177 0.91 1.1691 0.9946 1972590 ChemDiv1_004668 Clc1ccc(CN2C(=O)/C(=C\3/C(=O)Nc4ccc(Br)cc34)/SC2=S)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 E05 compound treatment 0.257 0.018 0.89 0.257 0.0177 0.91 1.2736 0.9999 1972591 ChemDiv1_004669 Fc1ccc(c2ccc(/C=C/3\Sc4ccccc4C3=O)o2)c(F)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 E06 compound treatment 0.261 0.022 1.09 0.262 0.0227 1.17 1.5949 0.9993 1972592 ChemDiv1_004670 Cc1ccc(cc1)S(=O)(=O)N2C(=O)/C(=C/3\SC(=S)N(Cc4ccco4)C3=O)/c5ccccc25 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 E07 compound treatment 0.276 0.037 1.82 0.274 0.0347 1.79 2.5542 1.0 1972593 ChemDiv1_004671 COc1cccc(c1)c2nc3ccccc3c(=O)n2NC(=O)c4cc5cc(Br)ccc5oc4=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 E08 compound treatment 0.325 0.086 4.24 0.33 0.0907 4.67 6.2992 0.9988 1426744 ChemDiv1_004672 Fc1ccc(Cc2cnc(NC(=O)c3csc4CCCCc34)s2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 E09 compound treatment 0.288 0.049 2.42 0.292 0.0527 2.71 3.6273 0.9983 1972594 ChemDiv1_004673 [O-][N+](=O)c1cc(C(=O)Nn2c(nc3ccccc3c2=O)c4cccs4)c(Cl)c(c1)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 E10 compound treatment 0.331 0.092 4.53 0.329 0.0897 4.62 6.4718 1.0 1951684 ChemDiv1_004674 Oc1ccc(Cl)cc1NC(=O)CCN2C(=O)/C(=C\c3cccs3)/SC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 E11 compound treatment 0.256 0.017 0.84 0.25 0.0107 0.55 0.984 0.9795 1484799 ChemDiv1_004675 OCCNC(=O)Cc1n[nH]c(=O)c2ccccc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 E12 compound treatment 0.331 0.092 4.53 0.325 0.0857 4.41 6.3262 0.9999 1972595 ChemDiv1_004676 OC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccc(Br)c3)/SC2=S)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 E13 compound treatment 0.303 0.064 3.15 0.307 0.0677 3.49 4.6958 0.9987 1972596 ChemDiv1_004677 Cc1ccc(NC(=O)CSc2nnc(C)c3ccccc23)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 E14 compound treatment 0.307 0.068 3.35 0.314 0.0747 3.85 5.0899 0.9976 1972597 ChemDiv1_004678 COc1cc(/C=C/2\SC(=S)N(CC(=O)Nc3nnc(CC(C)C)s3)C2=O)cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 E15 compound treatment 0.259 0.02 0.99 0.262 0.0227 1.17 1.5253 0.9964 1284873 ChemDiv1_004679 CC(=O)Nc1ccc(Oc2nnc(c3ccccc3)c4ccccc24)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 E16 compound treatment 0.283 0.044 2.17 0.278 0.0387 1.99 2.9436 0.9991 1941241 ChemDiv1_004680 O=C(CSc1nnc(CCCN2C(=O)c3cccc4cccc(C2=O)c34)n1c5ccccc5)NCc6ccccn6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 E17 compound treatment 0.267 0.028 1.38 0.264 0.0247 1.27 1.8767 0.9992 1458322 ChemDiv1_004681 COc1ccc(cc1)c2nnc(OC)c3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 E18 compound treatment 0.264 0.025 1.23 0.267 0.0277 1.43 1.8814 0.9973 1945419 ChemDiv1_004682 O=C(CSc1nc2sc3CCCCc3c2c(=O)[nH]1)NCc4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 E19 compound treatment 0.261 0.022 1.09 0.259 0.0197 1.02 1.4857 0.9995 1972598 ChemDiv1_004683 COc1cc(ccc1c2ccc(/C=C\3/C(=O)NC(=O)N(C3=O)c4ccccc4)o2)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 E20 compound treatment 0.274 0.035 1.73 0.283 0.0437 2.25 2.8121 0.9914 1297436 ChemDiv1_004684 CCOc1ccccc1C2C(C#N)C(=O)NC(=C2C#N)SCC(=O)OCc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 E21 compound treatment 0.257 0.018 0.89 0.255 0.0157 0.81 1.2008 0.9989 1946487 ChemDiv1_004685 CC/1=C(C#N)c2nc(N)c(C#N)c(C)c2\C1=C/c3ccc(Br)o3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 E22 compound treatment 0.252 0.013 0.64 0.257 0.0177 0.91 1.0995 0.9852 1315776 ChemDiv1_004686 CCOc1ccc2nc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CC(C)CC(C)C4)sc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 E23 mock treatment 0.25 0.011 0.54 0.25 0.0107 0.55 0.775 1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 E24 mock treatment 0.242 0.00303 0.15 0.235 -0.00427 -0.22 -0.0496 -0.1868 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 F01 compound treatment 0.252 0.013 0.64 0.256 0.0167 0.86 1.0631 0.9895 1972599 ChemDiv1_004687 OC(=O)CCC(=O)N1N=C(CC1c2ccccc2F)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 F02 compound treatment 0.282 0.043 2.12 0.282 0.0427 2.2 3.0544 0.9998 1946341 ChemDiv1_004688 COc1ccc(cc1)C(=O)CN2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 F03 compound treatment 0.264 0.025 1.23 0.261 0.0217 1.12 1.663 0.9988 1280694 ChemDiv1_004689 COc1ccc(cc1)n2nc3CSCc3c2NC(=O)c4ccc(cc4)S(=O)(=O)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 F04 compound treatment 0.282 0.043 2.12 0.272 0.0327 1.69 2.6903 0.9935 1972600 ChemDiv1_004690 [O-][N+](=O)c1csc(c1)c2csc(NC(=O)c3cc(nc4ccccc34)c5cccs5)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 F05 compound treatment 0.254 0.015 0.74 0.258 0.0187 0.96 1.2055 0.9915 1782841 ChemDiv1_004691 CN1CCN(CC1)c2nc3n(C)c(=O)[nH]c(=O)c3n2CC(=O)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 F06 compound treatment 0.313 0.074 3.65 0.308 0.0687 3.54 5.0805 0.9999 1972601 ChemDiv1_004692 Fc1ccc(cc1)C(=O)CSc2nnc(C3COc4ccccc4O3)n2c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 F07 compound treatment 0.297 0.058 2.86 0.307 0.0677 3.49 4.4868 0.9951 1160082 ChemDiv1_004693 CCOC(=O)c1sc2nc(N)c(C#N)c(c3ccc(OCC)cc3)c2c1N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 F08 compound treatment 0.273 0.034 1.68 0.278 0.0387 1.99 2.5953 0.9963 1972602 ChemDiv1_004694 Cc1cc2nnc(SCC(=O)Nc3ccc(F)cc3)n2c4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 F09 compound treatment 0.32 0.081 3.99 0.314 0.0747 3.85 5.5427 0.9998 1972603 ChemDiv1_004695 CCOc1ccc(cc1)c2c(C#N)c(N)nc(SCC(=O)OCc3ccccc3)c2C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 F10 compound treatment 0.257 0.018 0.89 0.261 0.0217 1.12 1.4192 0.9935 1940853 ChemDiv1_004696 OCCCNC(=O)CSc1nc2sc3CCCCc3c2c(=O)n1CC=C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 F11 compound treatment 0.268 0.029 1.43 0.266 0.0267 1.38 1.9843 0.9998 1526154 ChemDiv1_004697 COc1ccc(cc1)C(=O)c2sc3nc(N)c(C#N)c(c4ccc(OC)cc4)c3c2N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 F12 compound treatment 0.262 0.023 1.13 0.261 0.0217 1.12 1.5934 1.0 1697403 ChemDiv1_004698 C=CCn1c(SCC(=O)N2CCOCC2)nc3sc4CCCc4c3c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 F13 compound treatment 0.255 0.016 0.79 0.261 0.0217 1.12 1.3496 0.9855 1223221 ChemDiv1_004699 CCOC(=O)c1sc2nc(N)c(C#N)c(c3ccc(OC)c(OC)c3)c2c1N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 F14 compound treatment 0.295 0.056 2.76 0.294 0.0547 2.82 3.9439 0.9999 1712761 ChemDiv1_004700 OCCNC(=O)c1ccc(CSc2nc3sc4CCCCc4c3c(=O)n2CC=C)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 F15 compound treatment 0.269 0.03 1.48 0.267 0.0277 1.43 2.0556 0.9998 1972604 ChemDiv1_004701 CCOc1ccc(cc1)C2C(C(=O)OC)C(=O)NC(=C2C#N)SCc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 F16 compound treatment 0.281 0.042 2.07 0.259 0.0197 1.02 2.1823 0.9463 1972605 ChemDiv1_004702 CCNc1nc(NCC)n2c(SCC(=O)c3ccc(cc3)C(C)C)nnc2n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 F17 compound treatment 0.265 0.026 1.28 0.265 0.0257 1.32 1.8435 0.9999 1972606 ChemDiv1_004703 [O-][N+](=O)c1ccc2sc(cc2c1)C(=O)Nc3nc(cs3)c4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 F18 compound treatment 0.282 0.043 2.12 0.28 0.0407 2.1 2.9816 1.0 1972607 ChemDiv1_004704 FC(F)(F)C(=O)c1sc(NC(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3)nc1c4cccs4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 F19 compound treatment 0.264 0.025 1.23 0.264 0.0247 1.27 1.7722 0.9999 1572199 ChemDiv1_004705 CCOC(=O)c1sc(NC(=O)c2cc(=O)c3ccccc3o2)c(C(=O)OCC)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 F20 compound treatment 0.261 0.022 1.09 0.261 0.0217 1.12 1.5585 0.9999 1656582 ChemDiv1_004706 COc1ccc(cc1)C2CC(=NN2C(=O)CCCC(=O)O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 F21 compound treatment 0.264 0.025 1.23 0.26 0.0207 1.07 1.6266 0.9974 1251575 ChemDiv1_004707 CCN(CC)c1ccc(cc1)C2CC(=NN2C(=O)CCC(=O)O)c3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 F22 compound treatment 0.261 0.022 1.09 0.26 0.0207 1.07 1.5221 1.0 1330313 ChemDiv1_004708 COc1ccc(cc1)C2CC(=NN2C(=O)CCCC(=O)O)c3ccc(OC)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 F23 mock treatment 0.252 0.013 0.64 0.254 0.0147 0.76 0.9903 0.9966 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 F24 mock treatment 0.228 -0.011 -0.54 0.232 -0.00727 -0.37 -0.6464 -0.9839 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 G01 compound treatment 0.244 0.00503 0.25 0.245 0.00573 0.3 0.384 0.9962 1511107 ChemDiv1_004709 Cc1cccc(Nc2nc3nonc3nc2N4CCCCC4)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 G02 compound treatment 0.254 0.015 0.74 0.251 0.0117 0.6 0.9507 0.9949 1972608 ChemDiv1_004710 [O-][N+](=O)c1ccc2C(=O)N(C(=O)c2c1)c3ccc(cc3)c4nc5ccccc5s4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 G03 compound treatment 0.295 0.056 2.76 0.288 0.0487 2.51 3.7255 0.9989 1972609 ChemDiv1_004711 COc1cc(/C=C/2\S/C(=N\c3ccc4OCOc4c3)/N(C2=O)c5ccc6OCOc6c5)ccc1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 G04 compound treatment 0.256 0.017 0.84 0.256 0.0167 0.86 1.2024 0.9999 1972610 ChemDiv1_004712 [O-][N+](=O)c1ccc2NC(=O)/C(=C/3\SC(=S)N(Cc4ccc(Cl)cc4)C3=O)/c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 G05 compound treatment 0.27 0.031 1.53 0.265 0.0257 1.32 2.0176 0.9975 1431118 ChemDiv1_004713 COc1cc(C=c2sc3nc4cc(C)c(C)cc4n3c2=O)cc(Br)c1OCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 G06 compound treatment 0.255 0.016 0.79 0.251 0.0117 0.6 0.9856 0.9912 1320036 ChemDiv1_004714 CC(=O)N(Cc1nc2ccccc2c3nc4ccccc4n13)c5ccccc5Br 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 G07 compound treatment 0.283 0.044 2.17 0.274 0.0347 1.79 2.798 0.9954 1972611 ChemDiv1_004715 [O-][N+](=O)c1ccc(/C=C/C(=O)Nn2c(nc3ccccc3c2=O)c4ccc(Br)cc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 G08 compound treatment 0.383 0.144 7.09 0.36 0.121 6.22 9.4113 0.9978 1972612 ChemDiv1_004716 CCc1nnc(/N=C\2/S\C(=C/c3ccccc3F)\C(=O)N2CC=C)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 G09 compound treatment 0.304 0.065 3.2 0.306 0.0667 3.44 4.6942 0.9994 1972613 ChemDiv1_004717 O=C(Nn1c(nc2ccccc2c1=O)c3cccs3)c4cc5ccccc5oc4=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 G10 compound treatment 0.421 0.182 8.97 0.385 0.146 7.5 11.6448 0.9961 1928130 ChemDiv1_004718 OC(=O)c1cccc(NC(=O)CCN2C(=O)/C(=C\c3cccs3)/SC2=S)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 G11 compound treatment 0.25 0.011 0.54 0.252 0.0127 0.66 0.8478 0.9957 1557433 ChemDiv1_004719 O=C(CSc1nc2ccccc2o1)NCc3n[nH]c(=O)c4ccccc34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 G12 compound treatment 0.336 0.097 4.78 0.324 0.0847 4.36 6.4639 0.999 1928020 ChemDiv1_004720 Brc1cccc(/C=C/2\SC(=S)N(CCCC(=O)NCCCN3CCOCC3)C2=O)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 G13 compound treatment 0.272 0.033 1.63 0.276 0.0367 1.89 2.4877 0.9972 1972614 ChemDiv1_004721 Cc1ccc(C)c(NC(=O)CSc2nnc(C)c3ccccc23)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 G14 compound treatment 0.327 0.088 4.34 0.323 0.0837 4.31 6.1141 1.0 1972615 ChemDiv1_004722 COc1cc(/C=C/2\SC(=S)N(CC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 G15 compound treatment 0.254 0.015 0.74 0.253 0.0137 0.71 1.0235 0.9997 1463821 ChemDiv1_004723 COc1ccc(cc1)c2nnc(N3CCOCC3)c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 G16 compound treatment 0.327 0.088 4.34 0.326 0.0867 4.47 6.2233 0.9999 1941131 ChemDiv1_004724 O=C(CSc1nnc(CCCN2C(=O)c3cccc4cccc(C2=O)c34)n1c5ccccc5)NCCCn6ccnc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 G17 compound treatment 0.262 0.023 1.13 0.26 0.0207 1.07 1.557 0.9995 1486653 ChemDiv1_004725 COc1ccc(cc1)c2nnc(N3CCCCC3)c4ccccc24 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 G18 compound treatment 0.28 0.041 2.02 0.274 0.0347 1.79 2.6935 0.9981 1945357 ChemDiv1_004726 CCOC(=O)CSc1nnc(CCCN2C(=O)c3cccc4cccc(C2=O)c34)n1c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 G19 compound treatment 0.255 0.016 0.79 0.258 0.0187 0.96 1.2404 0.9951 1927371 ChemDiv1_004727 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3cc(C)cc(C)c3)cc(OC)c1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 G20 compound treatment 0.253 0.014 0.69 0.251 0.0117 0.6 0.9159 0.9977 1873276 ChemDiv1_004728 CCOC(=O)C1C(C(=C(NC1=O)SCC(=O)OC)C#N)c2ccccc2OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 G21 compound treatment 0.255 0.016 0.79 0.255 0.0157 0.81 1.1312 0.9999 1946662 ChemDiv1_004729 CC/1=C(C#N)c2nc(N)c(C#N)c(C)c2\C1=C/c3ccc(o3)c4ccc(cc4)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 G22 compound treatment 0.254 0.015 0.74 0.253 0.0137 0.71 1.0235 0.9997 1674741 ChemDiv1_004730 CC1CC(C)CN(C1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc4ccc(Cl)cc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 G23 mock treatment 0.251 0.012 0.59 0.248 0.00873 0.45 0.737 0.9907 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 G24 mock treatment 0.231 -0.00797 -0.39 0.235 -0.00427 -0.22 -0.4327 -0.9624 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 H01 compound treatment 0.272 0.033 1.63 0.275 0.0357 1.84 2.4513 0.9981 1972616 ChemDiv1_004731 OC(=O)CCC(=O)N1N=C(CC1c2ccc(Br)cc2)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 H02 compound treatment 0.273 0.034 1.68 0.268 0.0287 1.48 2.2313 0.9981 1941000 ChemDiv1_004732 Fc1ccc(cc1)C(=O)CN2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 H03 compound treatment 0.256 0.017 0.84 0.255 0.0157 0.81 1.166 0.9998 1191359 ChemDiv1_004733 Clc1ccc(cc1)n2nc3CSCc3c2NC(=O)c4ccc(cc4)S(=O)(=O)N5CCOCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 H04 compound treatment 0.268 0.029 1.43 0.27 0.0307 1.58 2.13 0.9987 1941214 ChemDiv1_004734 OCCCNC(=O)CSc1nnc(CCCN2C(=O)c3cccc4cccc(C2=O)c34)n1c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 H05 compound treatment 0.26 0.021 1.04 0.259 0.0197 1.02 1.4509 1.0 1782845 ChemDiv1_004735 CN1CCN(CC1)c2nc3n(C)c(=O)[nH]c(=O)c3n2CC(O)COc4ccc(Br)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 H06 compound treatment 0.268 0.029 1.43 0.266 0.0267 1.38 1.9843 0.9998 1972617 ChemDiv1_004736 COc1ccc(cc1)C(=O)CSc2nnc(c3ccc4OCOc4c3)n2c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 H07 compound treatment 0.266 0.027 1.33 0.262 0.0227 1.17 1.7691 0.9979 1661403 ChemDiv1_004737 CCOc1ccc(cc1)c2c(C#N)c(N)nc3sc(C(=O)Nc4ccc(Br)cc4)c(N)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 H08 compound treatment 0.292 0.053 2.61 0.267 0.0277 1.43 2.8566 0.9596 1972618 ChemDiv1_004738 Brc1ccc(NC(=O)CSc2nnc3ccccn23)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 H09 compound treatment 0.306 0.067 3.3 0.297 0.0577 2.97 4.4362 0.9986 1972619 ChemDiv1_004739 CCOc1ccc(cc1)c2c(C#N)c(N)nc(SCC(=O)c3ccccc3)c2C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 H10 compound treatment 0.272 0.033 1.63 0.252 0.0127 0.66 1.614 0.9201 1949850 ChemDiv1_004740 O=C(CN1C(=O)c2cccc3cccc(C1=O)c23)N4CCN(CCN5C(=O)C6C7CC(C=C7)C6C5=O)CC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 H11 compound treatment 0.3 0.061 3.01 0.305 0.0657 3.38 4.5185 0.9983 1288245 ChemDiv1_004741 COc1ccc(cc1)c2c(C#N)c(N)nc3sc(C(=O)c4ccc(Cl)cc4)c(N)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 H12 compound treatment 0.262 0.023 1.13 0.255 0.0157 0.81 1.375 0.9864 1527352 ChemDiv1_004742 OCCN(CCO)C(=O)CSc1nc2sc3CCCc3c2c(=O)n1CC=C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 H13 compound treatment 0.286 0.047 2.32 0.289 0.0497 2.56 3.4485 0.9988 1716831 ChemDiv1_004743 COc1ccc(cc1OC)c2c(C#N)c(N)nc3sc(C(=O)N)c(N)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 H14 compound treatment 0.262 0.023 1.13 0.258 0.0187 0.96 1.4842 0.9967 1725986 ChemDiv1_004744 C=CCn1c(SCC(=O)N2CCCCC2)nc3sc4CCCCc4c3c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 H15 compound treatment 0.304 0.065 3.2 0.299 0.0597 3.08 4.4394 0.9998 1432560 ChemDiv1_004745 CC1CCc2nc(NC(=O)c3cc(=O)c4ccccc4o3)sc2C1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 H16 compound treatment 0.256 0.017 0.84 0.251 0.0117 0.6 1.0204 0.987 1972620 ChemDiv1_004746 CCNc1nc(NCC)n2c(SCC(=O)c3ccc(cc3)C(C)(C)C)nnc2n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 H17 compound treatment 0.264 0.025 1.23 0.262 0.0227 1.17 1.6994 0.9997 1972621 ChemDiv1_004747 Oc1ccc(NC(=O)c2cc3cc(ccc3s2)[N+](=O)[O-])cc1c4nc5ccccc5s4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 H18 compound treatment 0.282 0.043 2.12 0.281 0.0417 2.15 3.018 1.0 1563078 ChemDiv1_004748 COc1cccc2sc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCc5ccccc45)nc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 H19 compound treatment 0.283 0.044 2.17 0.282 0.0427 2.2 3.0892 1.0 1470888 ChemDiv1_004749 O=C(Nc1nc(cs1)c2ccc3OCOc3c2)c4cc(=O)c5ccccc5o4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 H20 compound treatment 0.257 0.018 0.89 0.259 0.0197 1.02 1.3464 0.9978 1682202 ChemDiv1_004750 COc1ccc(cc1OC)C2CC(=NN2C(=O)CCCC(=O)O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 H21 compound treatment 0.254 0.015 0.74 0.252 0.0127 0.66 0.9871 0.9982 1599263 ChemDiv1_004751 CCN(CC)c1ccc(cc1)C2CC(=NN2C(=O)CCC(=O)O)c3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 H22 compound treatment 0.259 0.02 0.99 0.259 0.0197 1.02 1.4161 0.9999 1417710 ChemDiv1_004752 COc1ccc(cc1)C2=NN(C(C2)c3cc(OC)ccc3OC)C(=O)CCCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 H23 mock treatment 0.255 0.016 0.79 0.253 0.0137 0.71 1.0584 0.9985 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 H24 mock treatment 0.231 -0.00797 -0.39 0.246 0.00673 0.35 -0.0323 -0.0617 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 I01 compound treatment 0.221 -0.018 -0.88 0.25 0.0107 0.55 -0.235 -0.2252 1694352 ChemDiv1_004753 Cc1ccccc1Nc2nc3nonc3nc2N4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 I02 compound treatment 0.255 0.016 0.79 0.251 0.0117 0.6 0.9856 0.9912 1946250 ChemDiv1_004754 O=C(Nc1cccc(c1)c2nc3ccccc3o2)c4ccc(cc4)N5C(=O)C6C7CC(C=C7)C6C5=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 I03 compound treatment 0.31 0.071 3.5 0.292 0.0527 2.71 4.3935 0.9921 1972622 ChemDiv1_004755 Cc1ccc2c(nc3sc(=Cc4cc([N+](=O)[O-])c(cc4N5CCOCC5)N6CCOCC6)c(=O)n32)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 I04 compound treatment 0.266 0.027 1.33 0.256 0.0167 0.86 1.5507 0.9778 1972623 ChemDiv1_004756 COc1ccc(cc1)S(=O)(=O)/N=C\2/NC(=O)/C(=C\3/C(=O)Nc4ccc(Cl)cc34)/S2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 I05 compound treatment 0.274 0.035 1.73 0.26 0.0207 1.07 1.9749 0.9733 1942668 ChemDiv1_004757 COc1cc(/C=C/2\S\C(=N\C(=O)C)\NC2=O)cc3sc(=O)oc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 I06 compound treatment 0.279 0.04 1.97 0.277 0.0377 1.94 2.7679 1.0 1308050 ChemDiv1_004758 c1c(nc2c3ccccc3ccn12)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 I07 compound treatment 0.248 0.00903 0.44 0.244 0.00473 0.24 0.4869 0.9598 1554519 ChemDiv1_004759 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)COc4ccc(Cl)cc4Cl 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 I08 compound treatment 0.342 0.103 5.07 0.358 0.119 6.11 7.9106 0.9957 1942602 ChemDiv1_004760 Brc1ccccc1C(=O)NN2C(=O)/C(=C\3/C(=O)Nc4ccccc34)/SC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 I09 compound treatment 0.254 0.015 0.74 0.253 0.0137 0.71 1.0235 0.9997 1972624 ChemDiv1_004761 Cc1c(Br)c(nn1CC(=O)Nn2c(nc3ccccc3c2=O)c4cccs4)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 I10 compound treatment 0.345 0.106 5.22 0.344 0.105 5.39 7.5054 0.9999 1972625 ChemDiv1_004762 O=C(CCN1C(=O)/C(=C\c2cccs2)/SC1=S)Nc3ccccn3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 I11 compound treatment 0.267 0.028 1.38 0.264 0.0247 1.27 1.8767 0.9992 1328429 ChemDiv1_004763 Cc1nnc(Nc2ccccc2O)c3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 I12 compound treatment 0.27 0.031 1.53 0.264 0.0247 1.27 1.9812 0.9959 1972626 ChemDiv1_004764 CC(=O)N1C(=O)/C(=C/2\SC(=NC2=O)Nc3ccc(Br)cc3)/c4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 I13 compound treatment 0.281 0.042 2.07 0.279 0.0397 2.05 2.9103 1.0 1972627 ChemDiv1_004765 Cc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)c3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 I14 compound treatment 0.342 0.103 5.07 0.325 0.0857 4.41 6.7093 0.9976 1972628 ChemDiv1_004766 COc1cc(/C=C/2\SC(=S)N(CC(=O)Nc3nc4ccccc4s3)C2=O)cc(OC)c1OC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 I15 compound treatment 0.262 0.023 1.13 0.27 0.0307 1.58 1.921 0.9867 1179090 ChemDiv1_004767 CCCOC(=O)c1ccc(cc1)c2n[nH]c(=O)c3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 I16 compound treatment 0.262 0.023 1.13 0.256 0.0167 0.86 1.4114 0.9908 1948540 ChemDiv1_004768 Cc1sc2nc(SCC(=O)NCCCN3CCOCC3)n(c4ccccc4)c(=O)c2c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 I17 compound treatment 0.298 0.059 2.91 0.294 0.0547 2.82 4.0484 0.9999 1239167 ChemDiv1_004769 COc1ccc(cc1)c2nnc(NCc3nc4ccccc4[nH]3)c5ccccc25 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 I18 compound treatment 0.256 0.017 0.84 0.259 0.0197 1.02 1.3116 0.9955 1945961 ChemDiv1_004770 CCOC(=O)CSc1nnc(c2ccncc2)n1c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 I19 compound treatment 0.259 0.02 0.99 0.258 0.0187 0.96 1.3797 0.9999 1972629 ChemDiv1_004771 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Cl)cc3)cc(OC)c1O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 I20 compound treatment 0.252 0.013 0.64 0.251 0.0117 0.6 0.8811 0.9995 1873278 ChemDiv1_004772 CCOC(=O)CSC1=C(C#N)C(C(C(=O)OCC)C(=O)N1)c2ccccc2OCC 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 I21 compound treatment 0.255 0.016 0.79 0.26 0.0207 1.07 1.3132 0.989 1947065 ChemDiv1_004773 COc1cc(ccc1c2ccc(/C=C\3/C(=C(C#N)c4nc(N)c(C#N)c(C)c34)C)o2)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 I22 compound treatment 0.256 0.017 0.84 0.256 0.0167 0.86 1.2024 0.9999 1230321 ChemDiv1_004774 CC1CC(C)CN(C1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc4ccc(Br)cc4s3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 I23 mock treatment 0.254 0.015 0.74 0.255 0.0157 0.81 1.0963 0.999 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 I24 mock treatment 0.232 -0.00697 -0.34 0.244 0.00473 0.24 -0.0703 -0.167 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 J01 compound treatment 0.282 0.043 2.12 0.285 0.0457 2.35 3.1636 0.9986 1273795 ChemDiv1_004775 NS(=O)(=O)c1ccc2nc(NC(=O)c3cc(nc4ccccc34)c5ccccc5)sc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 J02 compound treatment 0.258 0.019 0.94 0.253 0.0137 0.71 1.1628 0.9903 1972630 ChemDiv1_004776 Fc1ccc(cc1)c2csc(NC(=O)CCCN3C(=O)c4cccc5cccc(C3=O)c45)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 J03 compound treatment 0.259 0.02 0.99 0.257 0.0177 0.91 1.3433 0.9992 1519314 ChemDiv1_004777 Clc1ccc(cc1)n2nc3CSCc3c2NC(=O)c4ccc(cc4)S(=O)(=O)N5CCCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 J04 compound treatment 0.255 0.016 0.79 0.252 0.0127 0.66 1.022 0.9957 1972631 ChemDiv1_004778 OCCCNC(=O)CSc1nc2sc3CCCCc3c2c(=O)n1c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 J05 compound treatment 0.293 0.054 2.66 0.281 0.0417 2.15 3.4011 0.9944 1940699 ChemDiv1_004779 O=C(N1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1)c5ccc(cc5)S(=O)(=O)N6CCOCC6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 J06 compound treatment 0.259 0.02 0.99 0.258 0.0187 0.96 1.3797 0.9999 1156589 ChemDiv1_004780 C=CCSc1nc2ccccc2n1C(=O)CN3C(=O)c4ccccc4C3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 J07 compound treatment 0.31 0.071 3.5 0.308 0.0687 3.54 4.976 1.0 1400349 ChemDiv1_004781 CCOc1ccc(cc1)c2c(C#N)c(N)nc3sc(C(=O)c4ccccc4)c(N)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 J08 compound treatment 0.261 0.022 1.09 0.262 0.0227 1.17 1.5949 0.9993 1972632 ChemDiv1_004782 Cc1ccc(cc1C)c2nnc(SC(F)F)c3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 J09 compound treatment 0.29 0.051 2.51 0.298 0.0587 3.02 3.9154 0.9958 1972633 ChemDiv1_004783 CCOc1ccc(cc1)c2c(C#N)c(N)nc(SCC(=O)c3ccc(C)cc3)c2C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 J10 compound treatment 0.257 0.018 0.89 0.253 0.0137 0.71 1.128 0.9936 1478057 ChemDiv1_004784 C=CCn1c(SCC(=O)NCc2cccnc2)nc3sc4CCCCc4c3c1=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 J11 compound treatment 0.294 0.055 2.71 0.297 0.0577 2.97 4.0183 0.9989 1972634 ChemDiv1_004785 CCOC(=O)CSc1nc(N)c(C#N)c(c1C#N)c2ccc(OC)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 J12 compound treatment 0.268 0.029 1.43 0.264 0.0247 1.27 1.9115 0.9983 1210944 ChemDiv1_004786 Cc1sc2nc(SCC(=O)N3CCN(CCO)CC3)n(CC=C)c(=O)c2c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 J13 compound treatment 0.311 0.072 3.55 0.323 0.0837 4.31 5.5568 0.9953 1217980 ChemDiv1_004787 COc1ccc(cc1OC)c2c(C#N)c(N)nc3sc(C(=O)Nc4ccc(Br)cc4)c(N)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 J14 compound treatment 0.257 0.018 0.89 0.25 0.0107 0.55 1.0188 0.9739 1540046 ChemDiv1_004788 COC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCN(CCN3C(=O)C4C5CC(C=C5)C4C3=O)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 J15 compound treatment 0.279 0.04 1.97 0.278 0.0387 1.99 2.8043 1.0 1687347 ChemDiv1_004789 Brc1ccc(cc1)c2csc(NC(=O)c3cc(=O)c4ccccc4o3)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 J16 compound treatment 0.258 0.019 0.94 0.253 0.0137 0.71 1.1628 0.9903 1972635 ChemDiv1_004790 CCNc1nc(NCC)n2c(SCC(=O)N(C(C)C)c3ccccc3)nnc2n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 J17 compound treatment 0.284 0.045 2.22 0.283 0.0437 2.25 3.1604 1.0 1972636 ChemDiv1_004791 [O-][N+](=O)c1ccc2sc(cc2c1)C(=O)Nc3ccc(Cl)cc3C(=O)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 J18 compound treatment 0.258 0.019 0.94 0.262 0.0227 1.17 1.4905 0.994 1246111 ChemDiv1_004792 COc1ccc(cc1)C2CC(=NN2C(=O)CCCC(=O)O)c3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 J19 compound treatment 0.258 0.019 0.94 0.261 0.0217 1.12 1.4541 0.9961 1642814 ChemDiv1_004793 CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3CCC(C)Cc3s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 J20 compound treatment 0.261 0.022 1.09 0.262 0.0227 1.17 1.5949 0.9993 1692422 ChemDiv1_004794 CN(C)c1ccc(cc1)C2CC(=NN2C(=O)CCCC(=O)O)c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 J21 compound treatment 0.254 0.015 0.74 0.255 0.0157 0.81 1.0963 0.999 1163233 ChemDiv1_004795 COc1ccc(cc1)C2CC(=NN2C(=O)CCC(=O)O)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 J22 compound treatment 0.247 0.00803 0.4 0.252 0.0127 0.66 0.7433 0.9708 1221586 ChemDiv1_004796 COc1ccc(cc1)C2=NN(C(C2)c3cc4ccc(C)cc4nc3Cl)C(=O)CCCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 J23 mock treatment 0.247 0.00803 0.4 0.246 0.00673 0.35 0.5249 0.9978 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 J24 mock treatment 0.234 -0.00497 -0.24 0.241 0.00173 0.09 -0.1098 -0.4219 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 K01 compound treatment 0.239 3.45E-5 0.0 0.24 7.33E-4 0.04 0.0279 0.7382 1421740 ChemDiv1_004797 CC(C)Nc1nc2nonc2nc1Nc3cccc(C)c3C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 K02 compound treatment 0.257 0.018 0.89 0.258 0.0187 0.96 1.31 0.9992 1972637 ChemDiv1_004798 CCN1C(=O)c2ccc(cc2C1=O)c3ccc(/C=C/4\C(=NN(C4=O)c5ccc(cc5)C(=O)O)C)o3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 K03 compound treatment 0.322 0.083 4.09 0.324 0.0847 4.36 5.9763 0.9995 1509448 ChemDiv1_004799 COc1cc(ccc1OC(=O)N(C)C)c2c(C#N)c(N)n3c4ccccc4nc3c2C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 K04 compound treatment 0.337 0.098 4.83 0.312 0.0727 3.74 6.0619 0.9921 1972638 ChemDiv1_004800 COc1ccc(cc1)S(=O)(=O)/N=C\2/NC(=O)/C(=C\3/C(=O)Nc4ccc(cc34)[N+](=O)[O-])/S2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 K05 compound treatment 0.264 0.025 1.23 0.257 0.0177 0.91 1.5174 0.9891 1972639 ChemDiv1_004801 Cc1ccc(Nc2nc3nonc3nc2Nc4ccccc4OC(=O)c5ccccc5)cc1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 K06 compound treatment 0.334 0.095 4.68 0.341 0.102 5.24 7.0131 0.9984 1426065 ChemDiv1_004802 Clc1ccc(cc1)c2cn3ccc4ccccc4c3n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 K07 compound treatment 0.254 0.015 0.74 0.244 0.00473 0.24 0.6959 0.8927 1353631 ChemDiv1_004803 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)COc4cccc(C)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 K08 compound treatment 0.279 0.04 1.97 0.277 0.0377 1.94 2.7679 1.0 1922566 ChemDiv1_004804 CN1C(=O)/C(=C/2\SC(=S)N(C2=O)c3cccc(Br)c3)/c4ccccc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 K09 compound treatment 0.252 0.013 0.64 0.258 0.0187 0.96 1.1359 0.9804 1972640 ChemDiv1_004805 Cc1c(Br)c(nn1CC(=O)Nn2c(nc3ccccc3c2=O)c4cccc(Cl)c4)C(F)(F)F 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 K10 compound treatment 0.339 0.1 4.93 0.343 0.104 5.34 7.26 0.9992 1923919 ChemDiv1_004806 O=C(CCN1C(=O)/C(=C/c2cccs2)/SC1=S)NC3(CC4CC5CC(C4)C3)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 K11 compound treatment 0.264 0.025 1.23 0.264 0.0247 1.27 1.7722 0.9999 1672206 ChemDiv1_004807 Cc1nnc(Nc2ccc(cc2)C(=O)NCCO)c3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 K12 compound treatment 0.276 0.037 1.82 0.269 0.0297 1.53 2.3722 0.9962 1928039 ChemDiv1_004808 CCOc1ccccc1NC(=O)CN2C(=O)/C(=C/c3cccc(Br)c3)/SC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 K13 compound treatment 0.276 0.037 1.82 0.271 0.0317 1.63 2.445 0.9985 1972641 ChemDiv1_004809 Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)c3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 K14 compound treatment 0.269 0.03 1.48 0.27 0.0307 1.58 2.1648 0.9994 1940864 ChemDiv1_004810 CCOC(=O)CSc1nnc(CCCN2C(=O)c3cccc4cccc(C2=O)c34)n1CC=C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 K15 compound treatment 0.277 0.038 1.87 0.286 0.0467 2.41 3.0258 0.9923 1972642 ChemDiv1_004811 CCCCOC(=O)c1ccc(cc1)c2n[nH]c(=O)c3ccccc23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 K16 compound treatment 0.276 0.037 1.82 0.259 0.0197 1.02 2.0081 0.9618 1941229 ChemDiv1_004812 Cc1sc2nc(SCC(=O)NCCO)n(c3ccccc3)c(=O)c2c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 K17 compound treatment 0.261 0.022 1.09 0.26 0.0207 1.07 1.5221 1.0 1972643 ChemDiv1_004813 COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 K18 compound treatment 0.265 0.026 1.28 0.263 0.0237 1.22 1.7707 0.9997 1972644 ChemDiv1_004814 O=C(CSc1nc2sc3CCCCc3c2c(=O)[nH]1)NCCCN4CCOCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 K19 compound treatment 0.307 0.068 3.35 0.311 0.0717 3.69 4.9807 0.9988 1972645 ChemDiv1_004815 OC(=O)c1ccccc1c2ccc(/C=C/3\C(=O)NC(=O)N(C3=O)c4ccc(F)cc4)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 K20 compound treatment 0.295 0.056 2.76 0.295 0.0557 2.87 3.9803 0.9998 1452858 ChemDiv1_004816 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4cccc(F)c4)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 K21 compound treatment 0.254 0.015 0.74 0.256 0.0167 0.86 1.1327 0.9972 1946730 ChemDiv1_004817 CC/1=C(C#N)c2nc(N)c(C#N)c(C)c2\C1=C/c3ccc(o3)c4cccc(c4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 K22 compound treatment 0.264 0.025 1.23 0.276 0.0367 1.89 2.2091 0.9785 1413062 ChemDiv1_004818 CC1CC(C)CN(C1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc4ccc(cc4s3)S(=O)(=O)N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 K23 mock treatment 0.251 0.012 0.59 0.25 0.0107 0.55 0.8098 0.9994 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 K24 mock treatment 0.239 3.45E-5 0.0 0.237 -0.00227 -0.12 -0.0813 -0.6967 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 L01 compound treatment 0.241 0.00203 0.1 0.248 0.00873 0.45 0.3888 0.844 1787254 ChemDiv1_004819 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)c2cnc(NC(=O)c3cc(nc4ccccc34)c5ccccc5)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 L02 compound treatment 0.267 0.028 1.38 0.262 0.0227 1.17 1.8039 0.9966 1972646 ChemDiv1_004820 CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)CCCN3C(=O)c4cccc5cccc(C3=O)c45)cc2)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 L03 compound treatment 0.267 0.028 1.38 0.258 0.0187 0.96 1.6583 0.9846 1612624 ChemDiv1_004821 COc1ccc(cc1)n2nc3CSCc3c2NC(=O)c4ccc(cc4)S(=O)(=O)N5CCCC5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 L04 compound treatment 0.273 0.034 1.68 0.26 0.0207 1.07 1.9401 0.9762 1948876 ChemDiv1_004822 O=C(N1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1)c5ccc6OCOc6c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 L05 compound treatment 0.299 0.06 2.96 0.294 0.0547 2.82 4.0832 0.9997 1943902 ChemDiv1_004823 O=C(CCCN1C(=O)c2cccc3cccc(C1=O)c23)N4CCN(Cc5ccc6OCOc6c5)CC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 L06 compound treatment 0.264 0.025 1.23 0.261 0.0217 1.12 1.663 0.9988 1509679 ChemDiv1_004824 Cc1ccc(Sc2c(nc3ccccn23)c4ccccc4)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 L07 compound treatment 0.255 0.016 0.79 0.255 0.0157 0.81 1.1312 0.9999 1252445 ChemDiv1_004825 CCOc1ccc(cc1)c2c(C#N)c(N)nc3sc(C(=O)c4ccc(C)cc4)c(N)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 L08 compound treatment 0.257 0.018 0.89 0.257 0.0177 0.91 1.2736 0.9999 1275320 ChemDiv1_004826 Cc1ccc(cc1C)c2nnc(n3nnc4ccccc34)c5ccccc25 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 L09 compound treatment 0.296 0.057 2.81 0.299 0.0597 3.08 4.1608 0.999 1972647 ChemDiv1_004827 CCOc1ccc(cc1)c2c(C#N)c(N)nc(SCC(=O)c3ccc(OC)cc3)c2C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 L10 compound treatment 0.261 0.022 1.09 0.263 0.0237 1.22 1.6313 0.9983 1972648 ChemDiv1_004828 Cc1sc2nc(SCC(=O)NCc3ccco3)n(CC=C)c(=O)c2c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 L11 compound treatment 0.315 0.076 3.74 0.305 0.0657 3.38 5.0409 0.9987 1972649 ChemDiv1_004829 CCCCOC(=O)CSc1nc(N)c(C#N)c(c1C#N)c2ccc(OC)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 L12 compound treatment 0.292 0.053 2.61 0.293 0.0537 2.77 3.8031 0.9996 1940960 ChemDiv1_004830 O=C(CSc1nnc(CN2C(=O)c3cccc4cccc(C2=O)c34)n1c5ccccc5)NCc6ccco6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 L13 compound treatment 0.291 0.052 2.56 0.298 0.0587 3.02 3.9502 0.9966 1383626 ChemDiv1_004831 COc1ccc(cc1OC)c2c(C#N)c(N)nc3sc(C(=O)c4ccccc4)c(N)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 L14 compound treatment 0.269 0.03 1.48 0.263 0.0237 1.22 1.91 0.9955 1212649 ChemDiv1_004832 Cc1sc2nc(SCc3ccc(cc3)C(=O)NCCO)n(CC=C)c(=O)c2c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 L15 compound treatment 0.258 0.019 0.94 0.259 0.0197 1.02 1.3813 0.9992 1972650 ChemDiv1_004833 Brc1ccc(s1)c2csc(NC(=O)c3cc(=O)c4ccccc4o3)n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 L16 compound treatment 0.299 0.06 2.96 0.308 0.0687 3.54 4.5929 0.996 1647746 ChemDiv1_004834 CCc1nnc2sc(nn12)c3ccc(OC)c(OC)c3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 L17 compound treatment 0.266 0.027 1.33 0.267 0.0277 1.43 1.9511 0.9994 1972651 ChemDiv1_004835 CC1CC(C)CN(C1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc4ccc(cc4s3)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 L18 compound treatment 0.267 0.028 1.38 0.269 0.0297 1.53 2.0587 0.9987 1972652 ChemDiv1_004836 OC(=O)CCCC(=O)N1N=C(CC1c2ccc(Cl)cc2)c3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 L19 compound treatment 0.279 0.04 1.97 0.288 0.0487 2.51 3.1683 0.9929 1939962 ChemDiv1_004837 CC(=O)Nc1ccc(NS(=O)(=O)c2cccc3C(=O)c4ccccc4C(=O)c23)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 L20 compound treatment 0.262 0.023 1.13 0.266 0.0267 1.38 1.7754 0.9954 1217188 ChemDiv1_004838 COc1ccc(cc1)C2CC(=NN2C(=O)CCCC(=O)O)c3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 L21 compound treatment 0.257 0.018 0.89 0.255 0.0157 0.81 1.2008 0.9989 1678372 ChemDiv1_004839 CN(C)c1ccc(cc1)C2CC(=NN2C(=O)CCC(=O)O)c3cccs3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 L22 compound treatment 0.255 0.016 0.79 0.257 0.0177 0.91 1.204 0.9974 1785229 ChemDiv1_004840 CCOc1ccc2cc(C3CC(=NN3C(=O)CCC(=O)O)c4ccc(C)cc4)c(=O)[nH]c2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 L23 mock treatment 0.253 0.014 0.69 0.254 0.0147 0.76 1.0251 0.9989 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 L24 mock treatment 0.238 -9.66E-4 -0.05 0.24 7.33E-4 0.04 -0.0069 -0.1141 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 M01 compound treatment 0.25 0.011 0.54 0.248 0.00873 0.45 0.7022 0.9956 1430945 ChemDiv1_004841 OCCNc1nc2nonc2nc1Nc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 M02 compound treatment 0.248 0.00903 0.44 0.248 0.00873 0.45 0.6326 1.0 1702630 ChemDiv1_004842 COCc1cc(C)nc2sc(C(=O)c3ccccc3)c(NC(=O)c4ccccc4)c12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 M03 compound treatment 0.257 0.018 0.89 0.252 0.0127 0.66 1.0916 0.9888 1972653 ChemDiv1_004843 CC(=O)/N=C\1/NC(=O)/C(=C/c2ccc(o2)c3ccc(F)cc3F)/S1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 M04 compound treatment 0.276 0.037 1.82 0.268 0.0287 1.48 2.3358 0.9946 1972654 ChemDiv1_004844 COc1ccc(cc1)S(=O)(=O)/N=C\2/NC(=O)/C(=C\3/C(=O)N(C)c4ccccc34)/S2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 M05 compound treatment 0.254 0.015 0.74 0.248 0.00873 0.45 0.8415 0.9714 1155316 ChemDiv1_004845 COc1cc(ccc1OCc2ccc(F)cc2)C3C4=C(CC(C)(C)CC4=O)OC5=C3C(=O)CC(C)(C)C5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 M06 compound treatment 0.325 0.086 4.24 0.307 0.0677 3.49 5.462 0.9953 1385987 ChemDiv1_004846 Brc1ccc(cc1)c2cn3ccc4ccccc4c3n2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 M07 compound treatment 0.36 0.121 5.96 0.341 0.102 5.24 7.9186 0.9979 1544072 ChemDiv1_004847 COc1cccc(c1)c2nc3ccccc3c(=O)n2NC(=O)c4cc(nc5ccccc45)c6ccncc6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 M08 compound treatment 0.272 0.033 1.63 0.27 0.0307 1.58 2.2693 0.9999 1972655 ChemDiv1_004848 Cc1cccc(NC2=NC(=O)/C(=C\3/C(=O)Nc4ccc(Br)cc34)/S2)c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 M09 compound treatment 0.246 0.00703 0.35 0.246 0.00673 0.35 0.4901 1.0 1972656 ChemDiv1_004849 Cc1c(Br)c(nn1CC(=O)Nn2c(nc3ccccc3c2=O)c4cccs4)[N+](=O)[O-] 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 M10 compound treatment 0.261 0.022 1.09 0.264 0.0247 1.27 1.6677 0.9968 1972657 ChemDiv1_004850 COc1ccc(/C=C/2\SC(=NC2=O)N3CCN(CC3)C(=O)CCN4C(=O)\C(=C/c5cccs5)\SC4=S)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 M11 compound treatment 0.253 0.014 0.69 0.256 0.0167 0.86 1.0979 0.994 1972658 ChemDiv1_004851 Cc1cc(C)nc(Sc2nnc(C)c3ccccc23)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 M12 compound treatment 0.261 0.022 1.09 0.26 0.0207 1.07 1.5221 1.0 1923709 ChemDiv1_004852 Cc1nnc(NC(=O)CN2C(=O)/C(=C/c3cccc(Br)c3)/SC2=S)s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 M13 compound treatment 0.296 0.057 2.81 0.281 0.0417 2.15 3.5055 0.9912 1450129 ChemDiv1_004853 Cc1cccc(OC(=O)CSc2nnc(C)c3ccccc23)c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 M14 compound treatment 0.254 0.015 0.74 0.253 0.0137 0.71 1.0235 0.9997 1948374 ChemDiv1_004854 O=C(CSc1nc2sc3CCCCc3c2c(=O)[nH]1)NCCCn4ccnc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 M15 compound treatment 0.255 0.016 0.79 0.257 0.0177 0.91 1.204 0.9974 1972659 ChemDiv1_004855 CCSc1nnc(c2ccc(C)cc2)c3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 M16 compound treatment 0.268 0.029 1.43 0.264 0.0247 1.27 1.9115 0.9983 1785232 ChemDiv1_004856 Cc1sc2nc(SCC(=O)N3CCN(CCO)CC3)[nH]c(=O)c2c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 M17 compound treatment 0.263 0.024 1.18 0.26 0.0207 1.07 1.5918 0.9987 1972660 ChemDiv1_004857 CCOc1cccc(c1)N2C(=O)/C(=C\c3ccc(cc3OC)N(CC)CC)/C(=O)NC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 M18 compound treatment 0.29 0.051 2.51 0.285 0.0457 2.35 3.4422 0.9995 1647899 ChemDiv1_004858 CC(C)CCSc1nc2n(C)c(=O)[nH]c(=O)c2n1CC(=C)C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 M19 compound treatment 0.719 0.48 23.64 0.7 0.461 23.72 33.49 1.0 1972661 ChemDiv1_004859 Cc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(F)cc3)c(C)n1c4ccc(cc4)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 M20 compound treatment 0.254 0.015 0.74 0.259 0.0197 1.02 1.2419 0.9879 1972662 ChemDiv1_004860 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4ccc(Cl)c(c4)[N+](=O)[O-])cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 M21 compound treatment 0.255 0.016 0.79 0.255 0.0157 0.81 1.1312 0.9999 1972663 ChemDiv1_004861 COc1cc(/C=C\2/C(=C(C#N)c3nc(N)c(C#N)c(C)c23)C)ccc1OCc4ccc(cc4)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 M22 compound treatment 0.255 0.016 0.79 0.251 0.0117 0.6 0.9856 0.9912 1725655 ChemDiv1_004862 CS(=O)(=O)c1ccc2nc(NC(=O)CN3C(=O)CCC3=O)sc2c1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 M23 mock treatment 0.249 0.01 0.49 0.243 0.00373 0.19 0.4854 0.9153 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 M24 mock treatment 0.235 -0.00397 -0.2 0.237 -0.00227 -0.12 -0.2206 -0.9697 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 N01 compound treatment 0.247 0.00803 0.4 0.25 0.0107 0.55 0.6705 0.9866 1350036 ChemDiv1_004863 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2c3CSCc3nn2c4ccc(Cl)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 N02 compound treatment 0.246 0.00703 0.35 0.248 0.00873 0.45 0.5629 0.9917 1242815 ChemDiv1_004864 Cc1cc(C)nc(NC(c2ccco2)c3ccc4cccnc4c3O)n1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 N03 compound treatment 0.247 0.00803 0.4 0.253 0.0137 0.71 0.7797 0.9624 1149633 ChemDiv1_004865 CCOc1cc(cc(OCC)c1OCC)C(=O)Nc2c3CSCc3nn2c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 N04 compound treatment 0.248 0.00903 0.44 0.247 0.00773 0.4 0.5962 0.9985 1948325 ChemDiv1_004866 Clc1ccc(cc1)S(=O)(=O)N2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 N05 compound treatment 0.256 0.017 0.84 0.25 0.0107 0.55 0.984 0.9795 1675405 ChemDiv1_004867 COc1ccc(cc1)C2=NN(C(C2)c3ccc(F)cc3)C(=O)CCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 N06 compound treatment 0.261 0.022 1.09 0.27 0.0307 1.58 1.8862 0.9831 1972664 ChemDiv1_004868 OCCN1CCN(CC1)C(c2ccc(cc2)C(F)(F)F)c3ccc4cccnc4c3O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 N07 compound treatment 0.252 0.013 0.64 0.248 0.00873 0.45 0.7719 0.9848 1125763 ChemDiv1_004869 CCOc1ccc(cc1)c2c(C#N)c(N)nc3sc(C(=O)c4ccc(OC)cc4)c(N)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 N08 compound treatment 0.266 0.027 1.33 0.247 0.00773 0.4 1.223 0.88 1972665 ChemDiv1_004870 O=C(CSc1nnc2ccccn12)NCc3ccco3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 N09 compound treatment 0.277 0.038 1.87 0.274 0.0347 1.79 2.589 0.9997 1972666 ChemDiv1_004871 CCOc1ccc(cc1)c2c(C#N)c(N)nc(SCC(=O)c3ccc(cc3)[N+](=O)[O-])c2C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 N10 compound treatment 0.254 0.015 0.74 0.251 0.0117 0.6 0.9507 0.9949 1949865 ChemDiv1_004872 Cc1sc2nc(SCC(=O)NCc3cccnc3)n(CC=C)c(=O)c2c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 N11 compound treatment 0.312 0.073 3.6 0.319 0.0797 4.1 5.4461 0.9978 1944642 ChemDiv1_004873 COc1ccc(cc1)c2c(C#N)c(N)nc(SCC(=O)OCc3ccccc3)c2C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 N12 compound treatment 0.253 0.014 0.69 0.252 0.0127 0.66 0.9523 0.9996 1486916 ChemDiv1_004874 O=C1C2C3CC(C=C3)C2C(=O)N1CCN4CCN(CC4)S(=O)(=O)c5ccc6ccccc6c5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 N13 compound treatment 0.279 0.04 1.97 0.274 0.0347 1.79 2.6587 0.9988 1572127 ChemDiv1_004875 COc1ccc(cc1OC)c2c(C#N)c(N)nc3sc(C(=O)c4ccc(Cl)cc4)c(N)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 N14 compound treatment 0.259 0.02 0.99 0.255 0.0157 0.81 1.2705 0.9952 1951731 ChemDiv1_004876 Cc1sc2nc(SCC(=O)N3CCOCC3)n(CC=C)c(=O)c2c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 N15 compound treatment 0.259 0.02 0.99 0.25 0.0107 0.55 1.0885 0.9624 1436157 ChemDiv1_004877 CSc1nc2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2s1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 N16 compound treatment 0.286 0.047 2.32 0.28 0.0407 2.1 3.1209 0.9988 1941313 ChemDiv1_004878 O=C(CSc1nnc(CCCN2C(=O)c3cccc4cccc(C2=O)c34)n1c5ccccc5)NCCCN6CCOCC6 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 N17 compound treatment 0.254 0.015 0.74 0.257 0.0177 0.91 1.1691 0.9946 1972667 ChemDiv1_004879 CC1CC(C)CN(C1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3cccc4C(=O)c5ccccc5C(=O)c34 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 N18 compound treatment 0.257 0.018 0.89 0.256 0.0167 0.86 1.2372 0.9999 1972668 ChemDiv1_004880 OC(=O)CCCC(=O)N1N=C(CC1c2cccc(c2)[N+](=O)[O-])c3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 N19 compound treatment 0.257 0.018 0.89 0.257 0.0177 0.91 1.2736 0.9999 1940006 ChemDiv1_004881 Cc1c(NS(=O)(=O)c2cccc3C(=O)c4ccccc4C(=O)c23)c(=O)n(c5ccccc5)n1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 N20 compound treatment 0.263 0.024 1.18 0.261 0.0217 1.12 1.6282 0.9996 1731664 ChemDiv1_004882 COc1ccc(cc1OC)C2CC(=NN2C(=O)CCCC(=O)O)c3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 N21 compound treatment 0.249 0.01 0.49 0.246 0.00673 0.35 0.5946 0.9849 1945143 ChemDiv1_004883 COC(=O)c1ccc(CN2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 N22 compound treatment 0.259 0.02 0.99 0.261 0.0217 1.12 1.4889 0.998 1972669 ChemDiv1_004884 COc1ccccc1C2CC(=NN2C(=O)CCCC(=O)O)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 N23 mock treatment 0.245 0.00603 0.3 0.251 0.0117 0.6 0.6373 0.9466 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 N24 mock treatment 0.228 -0.011 -0.54 0.237 -0.00227 -0.12 -0.4644 -0.8405 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 O01 compound treatment 0.22 -0.019 -0.93 0.21 -0.0293 -1.51 -1.7259 -0.9736 1535719 ChemDiv1_004885 Cc1ccc(Nc2nc3nonc3nc2NC4C5CC6CC(C5)CC4C6)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 O02 compound treatment 0.249 0.01 0.49 0.249 0.00973 0.5 0.7038 1.0 1528553 ChemDiv1_004886 CCOC(=O)c1c(NC(=O)c2cc3ccccc3oc2=O)sc4CC(C)CCc14 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 O03 compound treatment 0.243 0.00403 0.2 0.24 7.33E-4 0.04 0.1672 0.8267 1343072 ChemDiv1_004887 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccc(F)cc4F)C(=O)CC(C)(C)C3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 O04 compound treatment 0.284 0.045 2.22 0.286 0.0467 2.41 3.2696 0.9992 1972670 ChemDiv1_004888 COc1ccc(cc1)S(=O)(=O)/N=C\2/NC(=O)/C(=C\c3ccc(OC)c(OC)c3)/S2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 O05 compound treatment 0.265 0.026 1.28 0.254 0.0147 0.76 1.443 0.9686 1633492 ChemDiv1_004889 CCOC(=O)c1ccc(Nc2nc3nonc3nc2N(CC)CC)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 O06 compound treatment 0.256 0.017 0.84 0.251 0.0117 0.6 1.0204 0.987 1972671 ChemDiv1_004890 [O-][N+](=O)c1ccc2nc(nc(c3ccccc3)c2c1)N4CCCCC4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 O07 compound treatment 0.285 0.046 2.27 0.266 0.0267 1.38 2.5764 0.9714 1972672 ChemDiv1_004891 Clc1cccc(c1)c2nc3ccccc3c(=O)n2NC(=O)c4cc5cc(Br)ccc5oc4=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 O08 compound treatment 0.262 0.023 1.13 0.264 0.0247 1.27 1.7026 0.9983 1972673 ChemDiv1_004892 COc1ccc(NC(=O)CCN2C(=O)/C(=C\c3cccs3)/SC2=S)cc1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 O09 compound treatment 0.289 0.05 2.46 0.29 0.0507 2.61 3.5894 0.9996 1972674 ChemDiv1_004893 Brc1ccc2oc(=O)c(cc2c1)C(=O)Nn3c(nc4ccccc4c3=O)c5cccs5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 O10 compound treatment 0.253 0.014 0.69 0.252 0.0127 0.66 0.9523 0.9996 1972675 ChemDiv1_004894 O=C(CCN1C(=O)/C(=C\c2cccs2)/SC1=S)N3c4ccccc4Sc5ccccc35 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 O11 compound treatment 0.268 0.029 1.43 0.268 0.0287 1.48 2.0571 0.9999 1972676 ChemDiv1_004895 Cc1nnc(SCC(=O)N)c2ccccc12 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 O12 compound treatment 0.281 0.042 2.07 0.286 0.0467 2.41 3.1651 0.9972 1972677 ChemDiv1_004896 COc1ccccc1NC(=O)CN2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)/SC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 O13 compound treatment 0.248 0.00903 0.44 0.235 -0.00427 -0.22 0.1593 0.3211 1719439 ChemDiv1_004897 Cc1nn(CC(=O)Nc2ccc(Cl)cc2Cl)c(=O)c3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 O14 compound treatment 0.25 0.011 0.54 0.25 0.0107 0.55 0.775 1.0 1947764 ChemDiv1_004898 Cc1sc2nc(SCC(=O)NCCCn3ccnc3)[nH]c(=O)c2c1C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 O15 compound treatment 0.249 0.01 0.49 0.252 0.0127 0.66 0.813 0.9903 1946934 ChemDiv1_004899 CCSc1nnc(c2ccc(Cl)cc2)c3ccccc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 O16 compound treatment 0.256 0.017 0.84 0.247 0.00773 0.4 0.8748 0.942 1948644 ChemDiv1_004900 CCOC(=O)CSc1nnc(c2cccc(OC)c2)n1c3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 O17 compound treatment 0.256 0.017 0.84 0.256 0.0167 0.86 1.2024 0.9999 1972678 ChemDiv1_004901 OC(=O)c1ccccc1c2ccc(/C=C\3/C(=O)NC(=S)N(C3=O)c4ccc(Br)cc4)o2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 O18 compound treatment 0.245 0.00603 0.3 0.249 0.00973 0.5 0.5645 0.9689 1280842 ChemDiv1_004902 COc1ccccc1C2=NN(C(C2)c3ccccc3)C(=O)CCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 O19 compound treatment 0.379 0.14 6.9 0.388 0.149 7.66 10.2912 0.9986 1972679 ChemDiv1_004903 Cc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(F)cc3)c(C)n1c4cccc(c4)C(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 O20 compound treatment 0.248 0.00903 0.44 0.248 0.00873 0.45 0.6326 1.0 1972680 ChemDiv1_004904 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4c(C)onc4c5ccccc5Cl)cc13 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 O21 compound treatment 0.251 0.012 0.59 0.253 0.0137 0.71 0.9191 0.9962 1972681 ChemDiv1_004905 COc1ccc(cc1)N2C(=O)/C(=C\c3ccc(o3)c4ccccc4[N+](=O)[O-])/C(=O)NC2=S 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 O22 compound treatment 0.25 0.011 0.54 0.25 0.0107 0.55 0.775 1.0 1972682 ChemDiv1_004906 [O-][N+](=O)c1ccc2sc(cc2c1)C(=O)Nc3ccc(Br)cc3C(=O)c4ccccc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 O23 mock treatment 0.242 0.00303 0.15 0.246 0.00673 0.35 0.3508 0.9293 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 O24 mock treatment 0.212 -0.027 -1.33 0.21 -0.0293 -1.51 -2.0045 -0.998 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 P01 compound treatment 0.202 -0.037 -1.82 0.198 -0.0413 -2.12 -2.7896 -0.997 1450296 ChemDiv1_004907 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2c3CSCc3nn2c4ccc(OC)cc4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 P02 compound treatment 0.226 -0.013 -0.64 0.231 -0.00827 -0.43 -0.7525 -0.9805 1560844 ChemDiv1_004908 Clc1c(sc2ccccc12)C(=O)Nc3nc(cs3)c4ccccn4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 P03 compound treatment 0.249 0.01 0.49 0.239 -2.67E-4 -0.01 0.3398 0.6872 1740134 ChemDiv1_004909 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2c3CSCc3nn2c4cccc(C)c4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 P04 compound treatment 0.237 -0.00197 -0.1 0.226 -0.0133 -0.68 -0.5514 -0.7993 1972683 ChemDiv1_004910 O=C(/C=C/c1ccc2OCOc2c1)N3CCN(CCN4C(=O)c5cccc6cccc(C4=O)c56)CC3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 P05 compound treatment 0.23 -0.00897 -0.44 0.224 -0.0153 -0.79 -0.868 -0.9628 1128943 ChemDiv1_004911 COc1ccc(cc1)C2=NN(C(C2)c3cc4ccc(C)cc4nc3Cl)C(=O)CCC(=O)O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 P06 compound treatment 0.223 -0.016 -0.79 0.233 -0.00627 -0.32 -0.7842 -0.9226 1366639 ChemDiv1_004912 Fc1ccc(cc1)c2csc3ncnc(NCCc4ccc5OCOc5c4)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 P07 compound treatment 0.266 0.027 1.33 0.252 0.0127 0.66 1.4051 0.9467 1972684 ChemDiv1_004913 CCOc1ccc(cc1)c2c(C#N)c(N)nc(SCC(=O)OC)c2C#N 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 P08 compound treatment 0.237 -0.00197 -0.1 0.237 -0.00227 -0.12 -0.151 -0.9957 1972685 ChemDiv1_004914 COc1ccc(cc1OC)c2csc3[nH]c(=S)n(CC=C)c(=O)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 P09 compound treatment 0.218 -0.021 -1.03 0.237 -0.00227 -0.12 -0.8127 -0.782 1737154 ChemDiv1_004915 COc1ccc(cc1)c2c(C#N)c(N)nc3sc(C(=O)Nc4ccc(Br)cc4)c(N)c23 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 P10 compound treatment 0.24 0.00103 0.05 0.218 -0.0213 -1.09 -0.7381 -0.6735 1941283 ChemDiv1_004916 OCCCNC(=O)CSc1nc2sc3CCCc3c2c(=O)n1CC=C 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 P11 compound treatment 0.22 -0.019 -0.93 0.219 -0.0203 -1.04 -1.3983 -0.9985 1972686 ChemDiv1_004917 [O-][N+](=O)c1cccc(c1)C2CC(=O)NC(=C2C#N)SCC(=O)OCc3ccccc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 P12 compound treatment 0.222 -0.017 -0.84 0.227 -0.0123 -0.63 -1.0374 -0.9905 1972687 ChemDiv1_004918 O=C1C2C3CC(C=C3)C2C(=O)N1CCN4CCN(CC4)S(=O)(=O)/C=C\c5ccccc5 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 P13 compound treatment 0.219 -0.02 -0.98 0.231 -0.00827 -0.43 -0.9963 -0.9298 1873279 ChemDiv1_004919 CCCOC(=O)CSC1=C(C#N)C(C(C(=O)OC)C(=O)N1)c2ccc(Cl)cc2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 P14 compound treatment 0.213 -0.026 -1.28 0.228 -0.0113 -0.58 -1.3144 -0.936 1310399 ChemDiv1_004920 O=C(CSc1nc2sc3CCCCc3c2c(=O)[nH]1)NCc4ccccn4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 P15 compound treatment 0.215 -0.024 -1.18 0.214 -0.0253 -1.3 -1.7544 -0.9988 1972688 ChemDiv1_004921 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)c2cnc(NC(=O)CN3C(=O)c4ccccc4C3=O)s2 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 P16 compound treatment 0.222 -0.017 -0.84 0.229 -0.0103 -0.53 -0.9646 -0.9756 1924339 ChemDiv1_004922 CCCCN(CCCC)C(=O)CSc1nc2sc(C)c(C)c2c(=O)[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 P17 compound treatment 0.198 -0.041 -2.02 0.232 -0.00727 -0.37 -1.6912 -0.8242 1670644 ChemDiv1_004923 CC1CC(C)CN(C1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3ccccc3c4nc5ccccc5[nH]4 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 P18 compound treatment 0.219 -0.02 -0.98 0.228 -0.0113 -0.58 -1.1055 -0.9683 1591656 ChemDiv1_004924 COc1ccc(cc1OC)C2CC(=NN2C(=O)CCCC(=O)O)c3ccc(Br)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 P19 compound treatment 0.219 -0.02 -0.98 0.227 -0.0123 -0.63 -1.1419 -0.9771 1379692 ChemDiv1_004925 COc1ccc(cc1)C2CC(=NN2C(=O)CCC(=O)O)c3ccc(OC)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 P20 compound treatment 0.225 -0.014 -0.69 0.217 -0.0223 -1.15 -1.2969 -0.9702 1518000 ChemDiv1_004926 COc1ccc(OC)c(c1)C2CC(=NN2C(=O)CCCC(=O)O)c3ccc(C)cc3 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 P21 compound treatment 0.207 -0.032 -1.57 0.23 -0.00927 -0.48 -1.4506 -0.8818 1155193 ChemDiv1_004927 OCCN(CCO)C(=O)CSc1nc2sc3CCCCc3c2c(=O)[nH]1 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 P22 compound treatment 0.212 -0.027 -1.33 0.205 -0.0343 -1.76 -2.1865 -0.9902 1972689 ChemDiv1_004928 COc1ccc(cc1OC)C2CC(=NN2C(=O)CCCC(=O)O)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 P23 mock treatment 0.201 -0.038 -1.87 0.196 -0.0433 -2.23 -2.8972 -0.9962 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.600 P24 mock treatment 0.2 -0.039 -1.92 0.216 -0.0233 -1.2 -2.204 -0.9742 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base A01 mock treatment 0.203 -0.0489 -2.41 0.187 -0.0662 -3.41 -4.1123 -0.9857 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base A02 mock treatment 0.22 -0.0319 -1.57 0.236 -0.0172 -0.88 -1.7365 -0.9628 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base A03 mock treatment 0.236 -0.0159 -0.78 0.245 -0.00815 -0.42 -0.8517 -0.957 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base A04 mock treatment 0.223 -0.0289 -1.42 0.213 -0.0402 -2.07 -2.4693 -0.9835 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base A05 mock treatment 0.223 -0.0289 -1.42 0.217 -0.0362 -1.86 -2.3237 -0.9913 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base A06 mock treatment 0.233 -0.0189 -0.93 0.224 -0.0292 -1.5 -1.7206 -0.9738 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base A07 mock treatment 0.227 -0.0249 -1.23 0.238 -0.0152 -0.78 -1.4199 -0.976 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base A08 mock treatment 0.241 -0.0109 -0.54 0.243 -0.0102 -0.52 -0.7503 -0.9999 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base A09 mock treatment 0.246 -0.00593 -0.29 0.241 -0.0122 -0.63 -0.649 -0.9399 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base A10 mock treatment 0.241 -0.0109 -0.54 0.243 -0.0102 -0.52 -0.7503 -0.9999 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base A11 mock treatment 0.244 -0.00793 -0.39 0.241 -0.0122 -0.63 -0.7186 -0.9743 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base A12 mock treatment 0.249 -0.00293 -0.14 0.254 8.47E-4 0.04 -0.0713 -0.4725 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base A13 mock treatment 0.242 -0.00993 -0.49 0.248 -0.00515 -0.27 -0.5335 -0.9587 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base A14 mock treatment 0.246 -0.00593 -0.29 0.243 -0.0102 -0.52 -0.5762 -0.9622 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base A15 mock treatment 0.238 -0.0139 -0.69 0.238 -0.0152 -0.78 -1.0368 -0.998 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base A16 mock treatment 0.242 -0.00993 -0.49 0.249 -0.00415 -0.21 -0.4971 -0.9311 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base A17 mock treatment 0.235 -0.0169 -0.83 0.249 -0.00415 -0.21 -0.7409 -0.8606 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base A18 mock treatment 0.233 -0.0189 -0.93 0.235 -0.0182 -0.93 -1.3202 -1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base A19 mock treatment 0.224 -0.0279 -1.38 0.223 -0.0302 -1.55 -2.0704 -0.9982 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base A20 mock treatment 0.226 -0.0259 -1.28 0.218 -0.0352 -1.81 -2.1828 -0.9854 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base A21 mock treatment 0.235 -0.0169 -0.83 0.212 -0.0412 -2.12 -2.0878 -0.917 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base A22 mock treatment 0.246 -0.00593 -0.29 0.224 -0.0292 -1.5 -1.2678 -0.8292 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base A23 mock treatment 0.242 -0.00993 -0.49 0.234 -0.0192 -0.99 -1.0431 -0.9477 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base A24 mock treatment 0.191 -0.0609 -3.0 0.194 -0.0592 -3.05 -4.2754 -1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base B01 mock treatment 0.243 -0.00893 -0.44 0.24 -0.0132 -0.68 -0.7899 -0.9782 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base B02 mock treatment 0.243 -0.00893 -0.44 0.246 -0.00715 -0.37 -0.5715 -0.9961 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base B03 mock treatment 0.259 0.00707 0.35 0.261 0.00785 0.4 0.5318 0.9973 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base B04 mock treatment 0.253 0.00107 0.05 0.258 0.00485 0.25 0.2136 0.8378 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base B05 mock treatment 0.252 6.81E-5 0.0 0.256 0.00285 0.15 0.106 0.7231 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base B06 mock treatment 0.254 0.00207 0.1 0.256 0.00285 0.15 0.1757 0.9842 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base B07 mock treatment 0.258 0.00607 0.3 0.261 0.00785 0.4 0.497 0.989 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base B08 mock treatment 0.264 0.0121 0.59 0.264 0.0108 0.56 0.8152 0.9995 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base B09 mock treatment 0.263 0.0111 0.55 0.264 0.0108 0.56 0.7803 0.9999 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base B10 mock treatment 0.257 0.00507 0.25 0.256 0.00285 0.15 0.2801 0.9678 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base B11 mock treatment 0.258 0.00607 0.3 0.257 0.00385 0.2 0.3514 0.98 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base B12 mock treatment 0.259 0.00707 0.35 0.258 0.00485 0.25 0.4226 0.9867 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base B13 mock treatment 0.255 0.00307 0.15 0.268 0.0148 0.76 0.6473 0.8308 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base B14 mock treatment 0.256 0.00407 0.2 0.255 0.00185 0.1 0.2089 0.942 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base B15 mock treatment 0.255 0.00307 0.15 0.258 0.00485 0.25 0.2833 0.9711 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base B16 mock treatment 0.265 0.0131 0.64 0.267 0.0138 0.71 0.9592 0.9987 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base B17 mock treatment 0.269 0.0171 0.84 0.27 0.0168 0.87 1.2077 0.9999 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base B18 mock treatment 0.259 0.00707 0.35 0.255 0.00185 0.1 0.3134 0.8684 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base B19 mock treatment 0.259 0.00707 0.35 0.26 0.00685 0.35 0.4954 1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base B20 mock treatment 0.256 0.00407 0.2 0.255 0.00185 0.1 0.2089 0.942 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base B21 mock treatment 0.259 0.00707 0.35 0.252 -0.00115 -0.06 0.2042 0.5782 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base B22 mock treatment 0.25 -0.00193 -0.1 0.253 -1.53E-4 -0.01 -0.0729 -0.763 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base B23 mock treatment 0.254 0.00207 0.1 0.254 8.47E-4 0.04 0.1029 0.9283 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base B24 mock treatment 0.232 -0.0199 -0.98 0.242 -0.0112 -0.57 -1.1002 -0.9674 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base C01 mock treatment 0.23 -0.0219 -1.08 0.223 -0.0302 -1.55 -1.8615 -0.9843 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base C02 mock treatment 0.237 -0.0149 -0.74 0.243 -0.0102 -0.52 -0.8896 -0.986 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base C03 mock treatment 0.247 -0.00493 -0.24 0.246 -0.00715 -0.37 -0.4322 -0.9796 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base C04 mock treatment 0.249 -0.00293 -0.14 0.252 -0.00115 -0.06 -0.1441 -0.9228 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base C05 mock treatment 0.245 -0.00693 -0.34 0.251 -0.00215 -0.11 -0.3198 -0.8909 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base C06 mock treatment 0.251 -9.32E-4 -0.05 0.25 -0.00315 -0.16 -0.1472 -0.8728 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base C07 mock treatment 0.25 -0.00193 -0.1 0.251 -0.00215 -0.11 -0.1457 -0.9971 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base C08 mock treatment 0.254 0.00207 0.1 0.26 0.00685 0.35 0.3213 0.8756 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base C09 mock treatment 0.249 -0.00293 -0.14 0.253 -1.53E-4 -0.01 -0.1077 -0.7446 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base C10 mock treatment 0.252 6.81E-5 0.0 0.251 -0.00215 -0.11 -0.076 -0.6854 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base C11 mock treatment 0.244 -0.00793 -0.39 0.245 -0.00815 -0.42 -0.573 -0.9994 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base C12 mock treatment 0.251 -9.32E-4 -0.05 0.257 0.00385 0.2 0.1076 0.5292 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base C13 mock treatment 0.249 -0.00293 -0.14 0.251 -0.00215 -0.11 -0.1805 -0.9915 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base C14 mock treatment 0.251 -9.32E-4 -0.05 0.249 -0.00415 -0.21 -0.1836 -0.8398 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base C15 mock treatment 0.248 -0.00393 -0.19 0.25 -0.00315 -0.16 -0.2517 -0.9961 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base C16 mock treatment 0.256 0.00407 0.2 0.254 8.47E-4 0.04 0.1725 0.8413 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base C17 mock treatment 0.256 0.00407 0.2 0.256 0.00285 0.15 0.2453 0.9882 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base C18 mock treatment 0.257 0.00507 0.25 0.259 0.00585 0.3 0.3893 0.9957 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base C19 mock treatment 0.247 -0.00493 -0.24 0.248 -0.00515 -0.27 -0.3593 -0.999 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base C20 mock treatment 0.25 -0.00193 -0.1 0.249 -0.00415 -0.21 -0.2185 -0.9335 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base C21 mock treatment 0.249 -0.00293 -0.14 0.247 -0.00615 -0.32 -0.3261 -0.9367 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base C22 mock treatment 0.25 -0.00193 -0.1 0.249 -0.00415 -0.21 -0.2185 -0.9335 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base C23 mock treatment 0.244 -0.00793 -0.39 0.247 -0.00615 -0.32 -0.5002 -0.9946 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base C24 mock treatment 0.235 -0.0169 -0.83 0.224 -0.0292 -1.5 -1.6509 -0.9615 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base D01 mock treatment 0.248 -0.00393 -0.19 0.247 -0.00615 -0.32 -0.3609 -0.9721 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base D02 mock treatment 0.251 -9.32E-4 -0.05 0.245 -0.00815 -0.42 -0.3292 -0.7798 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base D03 mock treatment 0.257 0.00507 0.25 0.255 0.00185 0.1 0.2437 0.9125 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base D04 mock treatment 0.256 0.00407 0.2 0.251 -0.00215 -0.11 0.0633 0.2765 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base D05 mock treatment 0.254 0.00207 0.1 0.255 0.00185 0.1 0.1393 0.9994 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base D06 mock treatment 0.252 6.81E-5 0.0 0.254 8.47E-4 0.04 0.0332 0.7592 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base D07 mock treatment 0.257 0.00507 0.25 0.262 0.00885 0.46 0.4986 0.9599 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base D08 mock treatment 0.257 0.00507 0.25 0.258 0.00485 0.25 0.3529 1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base D09 mock treatment 0.255 0.00307 0.15 0.258 0.00485 0.25 0.2833 0.9711 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base D10 mock treatment 0.25 -0.00193 -0.1 0.253 -1.53E-4 -0.01 -0.0729 -0.763 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base D11 mock treatment 0.257 0.00507 0.25 0.259 0.00585 0.3 0.3893 0.9957 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base D12 mock treatment 0.259 0.00707 0.35 0.254 8.47E-4 0.04 0.277 0.7895 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base D13 mock treatment 0.248 -0.00393 -0.19 0.267 0.0138 0.71 0.3671 0.497 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base D14 mock treatment 0.258 0.00607 0.3 0.252 -0.00115 -0.06 0.1694 0.5558 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base D15 mock treatment 0.254 0.00207 0.1 0.255 0.00185 0.1 0.1393 0.9994 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base D16 mock treatment 0.259 0.00707 0.35 0.26 0.00685 0.35 0.4954 1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base D17 mock treatment 0.265 0.0131 0.64 0.266 0.0128 0.66 0.9228 0.9999 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base D18 mock treatment 0.262 0.0101 0.5 0.26 0.00685 0.35 0.5999 0.986 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base D19 mock treatment 0.257 0.00507 0.25 0.255 0.00185 0.1 0.2437 0.9125 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base D20 mock treatment 0.249 -0.00293 -0.14 0.256 0.00285 0.15 0.0015 0.0074 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base D21 mock treatment 0.257 0.00507 0.25 0.253 -1.53E-4 -0.01 0.1709 0.6844 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base D22 mock treatment 0.252 6.81E-5 0.0 0.253 -1.53E-4 -0.01 -0.0032 -0.3738 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base D23 mock treatment 0.248 -0.00393 -0.19 0.253 -1.53E-4 -0.01 -0.1425 -0.7353 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base D24 mock treatment 0.242 -0.00993 -0.49 0.237 -0.0162 -0.83 -0.9339 -0.968 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base E01 mock treatment 0.242 -0.00993 -0.49 0.239 -0.0142 -0.73 -0.8611 -0.9812 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base E02 mock treatment 0.254 0.00207 0.1 0.255 0.00185 0.1 0.1393 0.9994 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base E03 mock treatment 0.253 0.00107 0.05 0.253 -1.53E-4 -0.01 0.0316 0.5946 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base E04 mock treatment 0.253 0.00107 0.05 0.255 0.00185 0.1 0.1044 0.961 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base E05 mock treatment 0.254 0.00207 0.1 0.254 8.47E-4 0.04 0.1029 0.9283 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base E06 mock treatment 0.256 0.00407 0.2 0.257 0.00385 0.2 0.2817 1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base E07 mock treatment 0.252 6.81E-5 0.0 0.26 0.00685 0.35 0.2516 0.7138 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base E08 mock treatment 0.264 0.0121 0.59 0.27 0.0168 0.87 1.0336 0.983 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base E09 mock treatment 0.254 0.00207 0.1 0.258 0.00485 0.25 0.2485 0.9219 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base E10 mock treatment 0.26 0.00807 0.4 0.259 0.00585 0.3 0.4938 0.9906 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base E11 mock treatment 0.256 0.00407 0.2 0.252 -0.00115 -0.06 0.0997 0.4771 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base E12 mock treatment 0.255 0.00307 0.15 0.263 0.00985 0.51 0.4653 0.8796 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base E13 mock treatment 0.258 0.00607 0.3 0.263 0.00985 0.51 0.5698 0.9682 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base E14 mock treatment 0.257 0.00507 0.25 0.256 0.00285 0.15 0.2801 0.9678 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base E15 mock treatment 0.254 0.00207 0.1 0.26 0.00685 0.35 0.3213 0.8756 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base E16 mock treatment 0.259 0.00707 0.35 0.258 0.00485 0.25 0.4226 0.9867 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base E17 mock treatment 0.267 0.0151 0.74 0.264 0.0108 0.56 0.9196 0.9902 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base E18 mock treatment 0.267 0.0151 0.74 0.266 0.0128 0.66 0.9924 0.9983 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base E19 mock treatment 0.252 6.81E-5 0.0 0.252 -0.00115 -0.06 -0.0396 -0.6661 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base E20 mock treatment 0.256 0.00407 0.2 0.257 0.00385 0.2 0.2817 1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base E21 mock treatment 0.256 0.00407 0.2 0.256 0.00285 0.15 0.2453 0.9882 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base E22 mock treatment 0.254 0.00207 0.1 0.258 0.00485 0.25 0.2485 0.9219 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base E23 mock treatment 0.251 -9.32E-4 -0.05 0.254 8.47E-4 0.04 -0.0016 -0.0257 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base E24 mock treatment 0.245 -0.00693 -0.34 0.251 -0.00215 -0.11 -0.3198 -0.8909 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base F01 mock treatment 0.254 0.00207 0.1 0.252 -0.00115 -0.06 0.0301 0.2549 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base F02 mock treatment 0.253 0.00107 0.05 0.258 0.00485 0.25 0.2136 0.8378 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base F03 mock treatment 0.259 0.00707 0.35 0.262 0.00885 0.46 0.5682 0.9912 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base F04 mock treatment 0.258 0.00607 0.3 0.257 0.00385 0.2 0.3514 0.98 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base F05 mock treatment 0.26 0.00807 0.4 0.263 0.00985 0.51 0.6394 0.9927 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base F06 mock treatment 0.257 0.00507 0.25 0.259 0.00585 0.3 0.3893 0.9957 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base F07 mock treatment 0.263 0.0111 0.55 0.268 0.0148 0.76 0.9259 0.9863 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base F08 mock treatment 0.264 0.0121 0.59 0.269 0.0158 0.82 0.9972 0.9879 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base F09 mock treatment 0.264 0.0121 0.59 0.258 0.00485 0.25 0.5967 0.9257 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base F10 mock treatment 0.258 0.00607 0.3 0.26 0.00685 0.35 0.4606 0.9966 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base F11 mock treatment 0.26 0.00807 0.4 0.26 0.00685 0.35 0.5302 0.9982 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base F12 mock treatment 0.256 0.00407 0.2 0.262 0.00885 0.46 0.4637 0.932 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base F13 mock treatment 0.254 0.00207 0.1 0.271 0.0178 0.92 0.7217 0.7807 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base F14 mock treatment 0.261 0.00907 0.45 0.26 0.00685 0.35 0.5651 0.9931 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base F15 mock treatment 0.265 0.0131 0.64 0.262 0.00885 0.46 0.7772 0.9857 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base F16 mock treatment 0.263 0.0111 0.55 0.264 0.0108 0.56 0.7803 0.9999 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base F17 mock treatment 0.271 0.0191 0.94 0.271 0.0178 0.92 1.3138 0.9999 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base F18 mock treatment 0.269 0.0171 0.84 0.26 0.00685 0.35 0.8437 0.9255 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base F19 mock treatment 0.253 0.00107 0.05 0.266 0.0128 0.66 0.5049 0.7609 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base F20 mock treatment 0.257 0.00507 0.25 0.26 0.00685 0.35 0.4258 0.9857 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base F21 mock treatment 0.26 0.00807 0.4 0.26 0.00685 0.35 0.5302 0.9982 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base F22 mock treatment 0.256 0.00407 0.2 0.254 8.47E-4 0.04 0.1725 0.8413 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base F23 mock treatment 0.252 6.81E-5 0.0 0.259 0.00585 0.3 0.2152 0.7149 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base F24 mock treatment 0.248 -0.00393 -0.19 0.249 -0.00415 -0.21 -0.2881 -0.9988 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base G01 mock treatment 0.246 -0.00593 -0.29 0.248 -0.00515 -0.27 -0.3942 -0.9988 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base G02 mock treatment 0.253 0.00107 0.05 0.249 -0.00415 -0.21 -0.114 -0.5177 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base G03 mock treatment 0.251 -9.32E-4 -0.05 0.25 -0.00315 -0.16 -0.1472 -0.8728 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base G04 mock treatment 0.254 0.00207 0.1 0.258 0.00485 0.25 0.2485 0.9219 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base G05 mock treatment 0.253 0.00107 0.05 0.253 -1.53E-4 -0.01 0.0316 0.5946 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base G06 mock treatment 0.262 0.0101 0.5 0.258 0.00485 0.25 0.5271 0.9495 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base G07 mock treatment 0.256 0.00407 0.2 0.257 0.00385 0.2 0.2817 1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base G08 mock treatment 0.261 0.00907 0.45 0.269 0.0158 0.82 0.8927 0.9598 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base G09 mock treatment 0.257 0.00507 0.25 0.253 -1.53E-4 -0.01 0.1709 0.6844 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base G10 mock treatment 0.255 0.00307 0.15 0.258 0.00485 0.25 0.2833 0.9711 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base G11 mock treatment 0.247 -0.00493 -0.24 0.253 -1.53E-4 -0.01 -0.1773 -0.7297 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base G12 mock treatment 0.266 0.0141 0.69 0.261 0.00785 0.4 0.7756 0.967 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base G13 mock treatment 0.249 -0.00293 -0.14 0.259 0.00585 0.3 0.1107 0.3317 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base G14 mock treatment 0.256 0.00407 0.2 0.258 0.00485 0.25 0.3181 0.9941 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base G15 mock treatment 0.254 0.00207 0.1 0.253 -1.53E-4 -0.01 0.0665 0.6505 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base G16 mock treatment 0.256 0.00407 0.2 0.257 0.00385 0.2 0.2817 1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base G17 mock treatment 0.263 0.0111 0.55 0.264 0.0108 0.56 0.7803 0.9999 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base G18 mock treatment 0.257 0.00507 0.25 0.263 0.00985 0.51 0.535 0.9467 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base G19 mock treatment 0.247 -0.00493 -0.24 0.257 0.00385 0.2 -0.0317 -0.1012 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base G20 mock treatment 0.258 0.00607 0.3 0.254 8.47E-4 0.04 0.2422 0.8018 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base G21 mock treatment 0.254 0.00207 0.1 0.253 -1.53E-4 -0.01 0.0665 0.6505 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base G22 mock treatment 0.253 0.00107 0.05 0.255 0.00185 0.1 0.1044 0.961 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base G23 mock treatment 0.253 0.00107 0.05 0.519 0.266 13.69 9.7147 0.7098 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base G24 mock treatment 0.251 -9.32E-4 -0.05 0.25 -0.00315 -0.16 -0.1472 -0.8728 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base H01 mock treatment 0.25 -0.00193 -0.1 0.248 -0.00515 -0.27 -0.2549 -0.9043 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base H02 mock treatment 0.253 0.00107 0.05 0.253 -1.53E-4 -0.01 0.0316 0.5946 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base H03 mock treatment 0.257 0.00507 0.25 0.256 0.00285 0.15 0.2801 0.9678 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base H04 mock treatment 0.254 0.00207 0.1 0.256 0.00285 0.15 0.1757 0.9842 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base H05 mock treatment 0.26 0.00807 0.4 0.256 0.00285 0.15 0.3846 0.9081 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base H06 mock treatment 0.247 -0.00493 -0.24 0.256 0.00285 0.15 -0.0681 -0.2401 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base H07 mock treatment 0.26 0.00807 0.4 0.262 0.00885 0.46 0.603 0.9977 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base H08 mock treatment 0.261 0.00907 0.45 0.261 0.00785 0.4 0.6015 0.9987 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base H09 mock treatment 0.254 0.00207 0.1 0.26 0.00685 0.35 0.3213 0.8756 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base H10 mock treatment 0.257 0.00507 0.25 0.253 -1.53E-4 -0.01 0.1709 0.6844 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base H11 mock treatment 0.258 0.00607 0.3 0.258 0.00485 0.25 0.3878 0.996 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base H12 mock treatment 0.26 0.00807 0.4 0.256 0.00285 0.15 0.3846 0.9081 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base H13 mock treatment 0.252 6.81E-5 0.0 0.262 0.00885 0.46 0.3244 0.7123 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base H14 mock treatment 0.252 6.81E-5 0.0 0.256 0.00285 0.15 0.106 0.7231 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base H15 mock treatment 0.259 0.00707 0.35 0.259 0.00585 0.3 0.459 0.9974 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base H16 mock treatment 0.258 0.00607 0.3 0.255 0.00185 0.1 0.2786 0.8882 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base H17 mock treatment 0.264 0.0121 0.59 0.269 0.0158 0.82 0.9972 0.9879 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base H18 mock treatment 0.255 0.00307 0.15 0.255 0.00185 0.1 0.1741 0.9751 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base H19 mock treatment 0.255 0.00307 0.15 0.262 0.00885 0.46 0.4289 0.8938 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base H20 mock treatment 0.254 0.00207 0.1 0.257 0.00385 0.2 0.2121 0.9522 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base H21 mock treatment 0.256 0.00407 0.2 0.256 0.00285 0.15 0.2453 0.9882 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base H22 mock treatment 0.252 6.81E-5 0.0 0.255 0.00185 0.1 0.0696 0.7316 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base H23 mock treatment 0.258 0.00607 0.3 0.267 0.0138 0.71 0.7154 0.9255 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base H24 mock treatment 0.246 -0.00593 -0.29 0.25 -0.00315 -0.16 -0.3214 -0.9615 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base I01 mock treatment 0.243 -0.00893 -0.44 0.25 -0.00315 -0.16 -0.4259 -0.9082 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base I02 mock treatment 0.256 0.00407 0.2 0.256 0.00285 0.15 0.2453 0.9882 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base I03 mock treatment 0.257 0.00507 0.25 0.259 0.00585 0.3 0.3893 0.9957 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base I04 mock treatment 0.254 0.00207 0.1 0.256 0.00285 0.15 0.1757 0.9842 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base I05 mock treatment 0.254 0.00207 0.1 0.257 0.00385 0.2 0.2121 0.9522 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base I06 mock treatment 0.26 0.00807 0.4 0.259 0.00585 0.3 0.4938 0.9906 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base I07 mock treatment 0.255 0.00307 0.15 0.253 -1.53E-4 -0.01 0.1013 0.6693 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base I08 mock treatment 0.263 0.0111 0.55 0.266 0.0128 0.66 0.8531 0.9954 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base I09 mock treatment 0.256 0.00407 0.2 0.258 0.00485 0.25 0.3181 0.9941 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base I10 mock treatment 0.26 0.00807 0.4 0.259 0.00585 0.3 0.4938 0.9906 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base I11 mock treatment 0.257 0.00507 0.25 0.255 0.00185 0.1 0.2437 0.9125 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base I12 mock treatment 0.267 0.0151 0.74 0.26 0.00685 0.35 0.774 0.9421 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base I13 mock treatment 0.264 0.0121 0.59 0.252 -0.00115 -0.06 0.3783 0.6333 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base I14 mock treatment 0.257 0.00507 0.25 0.259 0.00585 0.3 0.3893 0.9957 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base I15 mock treatment 0.251 -9.32E-4 -0.05 0.252 -0.00115 -0.06 -0.0744 -0.9919 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base I16 mock treatment 0.256 0.00407 0.2 0.256 0.00285 0.15 0.2453 0.9882 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base I17 mock treatment 0.26 0.00807 0.4 0.261 0.00785 0.4 0.5666 1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base I18 mock treatment 0.26 0.00807 0.4 0.265 0.0118 0.61 0.7122 0.9785 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base I19 mock treatment 0.255 0.00307 0.15 0.256 0.00285 0.15 0.2105 0.9999 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base I20 mock treatment 0.256 0.00407 0.2 0.263 0.00985 0.51 0.5001 0.9175 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base I21 mock treatment 0.255 0.00307 0.15 0.261 0.00785 0.4 0.3925 0.91 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base I22 mock treatment 0.259 0.00707 0.35 0.261 0.00785 0.4 0.5318 0.9973 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base I23 mock treatment 0.256 0.00407 0.2 0.258 0.00485 0.25 0.3181 0.9941 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base I24 mock treatment 0.251 -9.32E-4 -0.05 0.254 8.47E-4 0.04 -0.0016 -0.0257 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base J01 mock treatment 0.244 -0.00793 -0.39 0.252 -0.00115 -0.06 -0.3182 -0.8053 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base J02 mock treatment 0.251 -9.32E-4 -0.05 0.247 -0.00615 -0.32 -0.2564 -0.8012 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base J03 mock treatment 0.252 6.81E-5 0.0 0.254 8.47E-4 0.04 0.0332 0.7592 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base J04 mock treatment 0.253 0.00107 0.05 0.254 8.47E-4 0.04 0.068 0.9957 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base J05 mock treatment 0.253 0.00107 0.05 0.255 0.00185 0.1 0.1044 0.961 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base J06 mock treatment 0.257 0.00507 0.25 0.254 8.47E-4 0.04 0.2073 0.8182 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base J07 mock treatment 0.252 6.81E-5 0.0 0.251 -0.00215 -0.11 -0.076 -0.6854 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base J08 mock treatment 0.253 0.00107 0.05 0.254 8.47E-4 0.04 0.068 0.9957 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base J09 mock treatment 0.247 -0.00493 -0.24 0.251 -0.00215 -0.11 -0.2501 -0.9368 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base J10 mock treatment 0.244 -0.00793 -0.39 0.248 -0.00515 -0.27 -0.4638 -0.9822 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base J11 mock treatment 0.251 -9.32E-4 -0.05 0.254 8.47E-4 0.04 -0.0016 -0.0257 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base J12 mock treatment 0.249 -0.00293 -0.14 0.25 -0.00315 -0.16 -0.2169 -0.9983 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base J13 mock treatment 0.253 0.00107 0.05 0.253 -1.53E-4 -0.01 0.0316 0.5946 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base J14 mock treatment 0.249 -0.00293 -0.14 0.25 -0.00315 -0.16 -0.2169 -0.9983 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base J15 mock treatment 0.246 -0.00593 -0.29 0.251 -0.00215 -0.11 -0.285 -0.9119 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base J16 mock treatment 0.255 0.00307 0.15 0.249 -0.00415 -0.21 -0.0443 -0.1693 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base J17 mock treatment 0.261 0.00907 0.45 0.262 0.00885 0.46 0.6379 1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base J18 mock treatment 0.249 -0.00293 -0.14 0.254 8.47E-4 0.04 -0.0713 -0.4725 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base J19 mock treatment 0.252 6.81E-5 0.0 0.261 0.00785 0.4 0.288 0.713 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base J20 mock treatment 0.249 -0.00293 -0.14 0.257 0.00385 0.2 0.0379 0.1547 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base J21 mock treatment 0.252 6.81E-5 0.0 0.257 0.00385 0.2 0.1424 0.719 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base J22 mock treatment 0.249 -0.00293 -0.14 0.254 8.47E-4 0.04 -0.0713 -0.4725 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base J23 mock treatment 0.251 -9.32E-4 -0.05 0.253 -1.53E-4 -0.01 -0.038 -0.8165 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base J24 mock treatment 0.243 -0.00893 -0.44 0.25 -0.00315 -0.16 -0.4259 -0.9082 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base K01 mock treatment 0.249 -0.00293 -0.14 0.252 -0.00115 -0.06 -0.1441 -0.9228 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base K02 mock treatment 0.255 0.00307 0.15 0.256 0.00285 0.15 0.2105 0.9999 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base K03 mock treatment 0.256 0.00407 0.2 0.255 0.00185 0.1 0.2089 0.942 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base K04 mock treatment 0.257 0.00507 0.25 0.253 -1.53E-4 -0.01 0.1709 0.6844 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base K05 mock treatment 0.258 0.00607 0.3 0.258 0.00485 0.25 0.3878 0.996 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base K06 mock treatment 0.261 0.00907 0.45 0.247 -0.00615 -0.32 0.0918 0.1677 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base K07 mock treatment 0.254 0.00207 0.1 0.246 -0.00715 -0.37 -0.1884 -0.493 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base K08 mock treatment 0.265 0.0131 0.64 0.261 0.00785 0.4 0.7408 0.9748 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base K09 mock treatment 0.253 0.00107 0.05 0.254 8.47E-4 0.04 0.068 0.9957 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base K10 mock treatment 0.256 0.00407 0.2 0.257 0.00385 0.2 0.2817 1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base K11 mock treatment 0.25 -0.00193 -0.1 0.254 8.47E-4 0.04 -0.0365 -0.3483 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base K12 mock treatment 0.256 0.00407 0.2 0.256 0.00285 0.15 0.2453 0.9882 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base K13 mock treatment 0.259 0.00707 0.35 0.251 -0.00215 -0.11 0.1678 0.4593 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base K14 mock treatment 0.254 0.00207 0.1 0.258 0.00485 0.25 0.2485 0.9219 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base K15 mock treatment 0.254 0.00207 0.1 0.257 0.00385 0.2 0.2121 0.9522 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base K16 mock treatment 0.261 0.00907 0.45 0.253 -1.53E-4 -0.01 0.3102 0.6945 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base K17 mock treatment 0.257 0.00507 0.25 0.261 0.00785 0.4 0.4622 0.9732 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base K18 mock treatment 0.261 0.00907 0.45 0.259 0.00585 0.3 0.5287 0.9816 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base K19 mock treatment 0.25 -0.00193 -0.1 0.256 0.00285 0.15 0.0364 0.208 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base K20 mock treatment 0.253 0.00107 0.05 0.256 0.00285 0.15 0.1408 0.9044 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base K21 mock treatment 0.252 6.81E-5 0.0 0.258 0.00485 0.25 0.1788 0.7165 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base K22 mock treatment 0.257 0.00507 0.25 0.26 0.00685 0.35 0.4258 0.9857 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base K23 mock treatment 0.255 0.00307 0.15 0.257 0.00385 0.2 0.2469 0.9911 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base K24 mock treatment 0.255 0.00307 0.15 0.251 -0.00215 -0.11 0.0285 0.1519 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base L01 mock treatment 0.246 -0.00593 -0.29 0.249 -0.00415 -0.21 -0.3578 -0.9882 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base L02 mock treatment 0.254 0.00207 0.1 0.255 0.00185 0.1 0.1393 0.9994 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base L03 mock treatment 0.257 0.00507 0.25 0.255 0.00185 0.1 0.2437 0.9125 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base L04 mock treatment 0.255 0.00307 0.15 0.254 8.47E-4 0.04 0.1377 0.8754 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base L05 mock treatment 0.258 0.00607 0.3 0.259 0.00585 0.3 0.4242 1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base L06 mock treatment 0.256 0.00407 0.2 0.255 0.00185 0.1 0.2089 0.942 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base L07 mock treatment 0.252 6.81E-5 0.0 0.254 8.47E-4 0.04 0.0332 0.7592 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base L08 mock treatment 0.256 0.00407 0.2 0.255 0.00185 0.1 0.2089 0.942 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base L09 mock treatment 0.253 0.00107 0.05 0.258 0.00485 0.25 0.2136 0.8378 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base L10 mock treatment 0.246 -0.00593 -0.29 0.251 -0.00215 -0.11 -0.285 -0.9119 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base L11 mock treatment 0.253 0.00107 0.05 0.256 0.00285 0.15 0.1408 0.9044 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base L12 mock treatment 0.249 -0.00293 -0.14 0.254 8.47E-4 0.04 -0.0713 -0.4725 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base L13 mock treatment 0.257 0.00507 0.25 0.259 0.00585 0.3 0.3893 0.9957 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base L14 mock treatment 0.247 -0.00493 -0.24 0.253 -1.53E-4 -0.01 -0.1773 -0.7297 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base L15 mock treatment 0.258 0.00607 0.3 0.259 0.00585 0.3 0.4242 1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base L16 mock treatment 0.26 0.00807 0.4 0.256 0.00285 0.15 0.3846 0.9081 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base L17 mock treatment 0.261 0.00907 0.45 0.266 0.0128 0.66 0.7835 0.9817 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base L18 mock treatment 0.254 0.00207 0.1 0.257 0.00385 0.2 0.2121 0.9522 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base L19 mock treatment 0.258 0.00607 0.3 0.263 0.00985 0.51 0.5698 0.9682 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base L20 mock treatment 0.252 6.81E-5 0.0 0.262 0.00885 0.46 0.3244 0.7123 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base L21 mock treatment 0.256 0.00407 0.2 0.26 0.00685 0.35 0.3909 0.9642 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base L22 mock treatment 0.251 -9.32E-4 -0.05 0.254 8.47E-4 0.04 -0.0016 -0.0257 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base L23 mock treatment 0.254 0.00207 0.1 0.258 0.00485 0.25 0.2485 0.9219 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base L24 mock treatment 0.244 -0.00793 -0.39 0.254 8.47E-4 0.04 -0.2454 -0.6243 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base M01 mock treatment 0.239 -0.0129 -0.64 0.25 -0.00315 -0.16 -0.5652 -0.8598 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base M02 mock treatment 0.252 6.81E-5 0.0 0.252 -0.00115 -0.06 -0.0396 -0.6661 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base M03 mock treatment 0.25 -0.00193 -0.1 0.249 -0.00415 -0.21 -0.2185 -0.9335 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base M04 mock treatment 0.255 0.00307 0.15 0.252 -0.00115 -0.06 0.0649 0.3996 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base M05 mock treatment 0.254 0.00207 0.1 0.253 -1.53E-4 -0.01 0.0665 0.6505 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base M06 mock treatment 0.255 0.00307 0.15 0.251 -0.00215 -0.11 0.0285 0.1519 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base M07 mock treatment 0.247 -0.00493 -0.24 0.247 -0.00615 -0.32 -0.3957 -0.9914 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base M08 mock treatment 0.251 -9.32E-4 -0.05 0.255 0.00185 0.1 0.0348 0.3294 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base M09 mock treatment 0.253 0.00107 0.05 0.249 -0.00415 -0.21 -0.114 -0.5177 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base M10 mock treatment 0.251 -9.32E-4 -0.05 0.254 8.47E-4 0.04 -0.0016 -0.0257 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base M11 mock treatment 0.25 -0.00193 -0.1 0.25 -0.00315 -0.16 -0.1821 -0.9676 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base M12 mock treatment 0.254 0.00207 0.1 0.254 8.47E-4 0.04 0.1029 0.9283 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base M13 mock treatment 0.259 0.00707 0.35 0.248 -0.00515 -0.27 0.0586 0.1338 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base M14 mock treatment 0.25 -0.00193 -0.1 0.246 -0.00715 -0.37 -0.3277 -0.8615 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base M15 mock treatment 0.249 -0.00293 -0.14 0.248 -0.00515 -0.27 -0.2897 -0.9591 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base M16 mock treatment 0.25 -0.00193 -0.1 0.25 -0.00315 -0.16 -0.1821 -0.9676 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base M17 mock treatment 0.256 0.00407 0.2 0.253 -1.53E-4 -0.01 0.1361 0.6788 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base M18 mock treatment 0.258 0.00607 0.3 0.257 0.00385 0.2 0.3514 0.98 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base M19 mock treatment 0.247 -0.00493 -0.24 0.252 -0.00115 -0.06 -0.2137 -0.8547 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base M20 mock treatment 0.245 -0.00693 -0.34 0.255 0.00185 0.1 -0.1742 -0.4915 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base M21 mock treatment 0.248 -0.00393 -0.19 0.24 -0.0132 -0.68 -0.6157 -0.8743 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base M22 mock treatment 0.25 -0.00193 -0.1 0.254 8.47E-4 0.04 -0.0365 -0.3483 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base M23 mock treatment 0.249 -0.00293 -0.14 0.254 8.47E-4 0.04 -0.0713 -0.4725 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base M24 mock treatment 0.252 6.81E-5 0.0 0.251 -0.00215 -0.11 -0.076 -0.6854 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base N01 mock treatment 0.242 -0.00993 -0.49 0.243 -0.0102 -0.52 -0.7155 -0.9995 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base N02 mock treatment 0.249 -0.00293 -0.14 0.247 -0.00615 -0.32 -0.3261 -0.9367 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base N03 mock treatment 0.249 -0.00293 -0.14 0.25 -0.00315 -0.16 -0.2169 -0.9983 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base N04 mock treatment 0.248 -0.00393 -0.19 0.236 -0.0172 -0.88 -0.7614 -0.8422 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base N05 mock treatment 0.249 -0.00293 -0.14 0.247 -0.00615 -0.32 -0.3261 -0.9367 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base N06 mock treatment 0.24 -0.0119 -0.59 0.238 -0.0152 -0.78 -0.9672 -0.9902 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base N07 mock treatment 0.249 -0.00293 -0.14 0.247 -0.00615 -0.32 -0.3261 -0.9367 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base N08 mock treatment 0.253 0.00107 0.05 0.237 -0.0162 -0.83 -0.5508 -0.6611 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base N09 mock treatment 0.242 -0.00993 -0.49 0.244 -0.00915 -0.47 -0.6791 -0.9998 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base N10 mock treatment 0.239 -0.0129 -0.64 0.241 -0.0122 -0.63 -0.8928 -1.0 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base N11 mock treatment 0.24 -0.0119 -0.59 0.249 -0.00415 -0.21 -0.5667 -0.9062 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base N12 mock treatment 0.246 -0.00593 -0.29 0.247 -0.00615 -0.32 -0.4306 -0.9992 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base N13 mock treatment 0.259 0.00707 0.35 0.25 -0.00315 -0.16 0.1314 0.342 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base N14 mock treatment 0.235 -0.0169 -0.83 0.244 -0.00915 -0.47 -0.9229 -0.9635 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base N15 mock treatment 0.25 -0.00193 -0.1 0.242 -0.0112 -0.57 -0.4733 -0.8132 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base N16 mock treatment 0.243 -0.00893 -0.44 0.239 -0.0142 -0.73 -0.8263 -0.9708 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base N17 mock treatment 0.242 -0.00993 -0.49 0.254 8.47E-4 0.04 -0.3151 -0.6415 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base N18 mock treatment 0.244 -0.00793 -0.39 0.243 -0.0102 -0.52 -0.6458 -0.9897 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base N19 mock treatment 0.251 -9.32E-4 -0.05 0.249 -0.00415 -0.21 -0.1836 -0.8398 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base N20 mock treatment 0.248 -0.00393 -0.19 0.25 -0.00315 -0.16 -0.2517 -0.9961 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base N21 mock treatment 0.253 0.00107 0.05 0.256 0.00285 0.15 0.1408 0.9044 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base N22 mock treatment 0.249 -0.00293 -0.14 0.245 -0.00815 -0.42 -0.3989 -0.8987 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base N23 mock treatment 0.251 -9.32E-4 -0.05 0.254 8.47E-4 0.04 -0.0016 -0.0257 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base N24 mock treatment 0.25 -0.00193 -0.1 0.245 -0.00815 -0.42 -0.3641 -0.8459 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base O01 mock treatment 0.247 -0.00493 -0.24 0.249 -0.00415 -0.21 -0.3229 -0.998 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base O02 mock treatment 0.249 -0.00293 -0.14 0.253 -1.53E-4 -0.01 -0.1077 -0.7446 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base O03 mock treatment 0.241 -0.0109 -0.54 0.246 -0.00715 -0.37 -0.6411 -0.9828 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base O04 mock treatment 0.255 0.00307 0.15 0.253 -1.53E-4 -0.01 0.1013 0.6693 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base O05 mock treatment 0.255 0.00307 0.15 0.256 0.00285 0.15 0.2105 0.9999 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base O06 mock treatment 0.258 0.00607 0.3 0.251 -0.00215 -0.11 0.133 0.4171 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base O07 mock treatment 0.251 -9.32E-4 -0.05 0.247 -0.00615 -0.32 -0.2564 -0.8012 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base O08 mock treatment 0.256 0.00407 0.2 0.26 0.00685 0.35 0.3909 0.9642 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base O09 mock treatment 0.247 -0.00493 -0.24 0.253 -1.53E-4 -0.01 -0.1773 -0.7297 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base O10 mock treatment 0.244 -0.00793 -0.39 0.251 -0.00215 -0.11 -0.3546 -0.8733 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base O11 mock treatment 0.248 -0.00393 -0.19 0.253 -1.53E-4 -0.01 -0.1425 -0.7353 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base O12 mock treatment 0.251 -9.32E-4 -0.05 0.252 -0.00115 -0.06 -0.0744 -0.9919 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base O13 mock treatment 0.261 0.00907 0.45 0.248 -0.00515 -0.27 0.1282 0.2468 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base O14 mock treatment 0.252 6.81E-5 0.0 0.25 -0.00315 -0.16 -0.1124 -0.6924 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base O15 mock treatment 0.244 -0.00793 -0.39 0.255 0.00185 0.1 -0.209 -0.5198 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base O16 mock treatment 0.253 0.00107 0.05 0.253 -1.53E-4 -0.01 0.0316 0.5946 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base O17 mock treatment 0.248 -0.00393 -0.19 0.251 -0.00215 -0.11 -0.2153 -0.9649 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base O18 mock treatment 0.253 0.00107 0.05 0.254 8.47E-4 0.04 0.068 0.9957 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base O19 mock treatment 0.241 -0.0109 -0.54 0.248 -0.00515 -0.27 -0.5683 -0.9468 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base O20 mock treatment 0.245 -0.00693 -0.34 0.251 -0.00215 -0.11 -0.3198 -0.8909 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base O21 mock treatment 0.245 -0.00693 -0.34 0.245 -0.00815 -0.42 -0.5382 -0.9947 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base O22 mock treatment 0.242 -0.00993 -0.49 0.251 -0.00215 -0.11 -0.4243 -0.8459 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base O23 mock treatment 0.247 -0.00493 -0.24 0.254 8.47E-4 0.04 -0.1409 -0.5711 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base O24 mock treatment 0.237 -0.0149 -0.74 0.245 -0.00815 -0.42 -0.8168 -0.9646 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base P01 mock treatment 0.227 -0.0249 -1.23 0.228 -0.0252 -1.29 -1.7839 -0.9996 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base P02 mock treatment 0.247 -0.00493 -0.24 0.249 -0.00415 -0.21 -0.3229 -0.998 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base P03 mock treatment 0.25 -0.00193 -0.1 0.247 -0.00615 -0.32 -0.2913 -0.8806 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base P04 mock treatment 0.248 -0.00393 -0.19 0.248 -0.00515 -0.27 -0.3245 -0.988 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base P05 mock treatment 0.245 -0.00693 -0.34 0.252 -0.00115 -0.06 -0.2834 -0.8178 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base P06 mock treatment 0.254 0.00207 0.1 0.25 -0.00315 -0.16 -0.0428 -0.2231 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base P07 mock treatment 0.249 -0.00293 -0.14 0.249 -0.00415 -0.21 -0.2533 -0.9817 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base P08 mock treatment 0.255 0.00307 0.15 0.249 -0.00415 -0.21 -0.0443 -0.1693 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base P09 mock treatment 0.252 6.81E-5 0.0 0.249 -0.00415 -0.21 -0.1488 -0.6959 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base P10 mock treatment 0.246 -0.00593 -0.29 0.245 -0.00815 -0.42 -0.5034 -0.9843 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base P11 mock treatment 0.247 -0.00493 -0.24 0.249 -0.00415 -0.21 -0.3229 -0.998 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base P12 mock treatment 0.25 -0.00193 -0.1 0.247 -0.00615 -0.32 -0.2913 -0.8806 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base P13 mock treatment 0.249 -0.00293 -0.14 0.252 -0.00115 -0.06 -0.1441 -0.9228 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base P14 mock treatment 0.252 6.81E-5 0.0 0.256 0.00285 0.15 0.106 0.7231 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base P15 mock treatment 0.253 0.00107 0.05 0.249 -0.00415 -0.21 -0.114 -0.5177 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base P16 mock treatment 0.254 0.00207 0.1 0.251 -0.00215 -0.11 -0.0064 -0.0422 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base P17 mock treatment 0.252 6.81E-5 0.0 0.254 8.47E-4 0.04 0.0332 0.7592 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base P18 mock treatment 0.252 6.81E-5 0.0 0.246 -0.00715 -0.37 -0.258 -0.7006 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base P19 mock treatment 0.249 -0.00293 -0.14 0.248 -0.00515 -0.27 -0.2897 -0.9591 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base P20 mock treatment 0.252 6.81E-5 0.0 0.252 -0.00115 -0.06 -0.0396 -0.6661 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base P21 mock treatment 0.252 6.81E-5 0.0 0.251 -0.00215 -0.11 -0.076 -0.6854 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base P22 mock treatment 0.245 -0.00693 -0.34 0.247 -0.00615 -0.32 -0.4654 -0.9993 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base P23 mock treatment 0.247 -0.00493 -0.24 0.248 -0.00515 -0.27 -0.3593 -0.999 1051.0025 OpticalDensity(1051.0025) HemeDetoxification 1051.0025.Base P24 mock treatment 0.227 -0.0249 -1.23 0.242 -0.0112 -0.57 -1.2743 -0.94